smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)[C@@H](C)C[N@@H+]1C ZINC001164633139 719161150 /nfs/dbraw/zinc/16/11/50/719161150.db2.gz GUFTTWLYNJYDIR-CABCVRRESA-N 2 2 377.493 0.074 20 0 GCADLP C[C@@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)[C@@H](C)C[N@H+]1C ZINC001164633139 719161156 /nfs/dbraw/zinc/16/11/56/719161156.db2.gz GUFTTWLYNJYDIR-CABCVRRESA-N 2 2 377.493 0.074 20 0 GCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001164704956 719880397 /nfs/dbraw/zinc/88/03/97/719880397.db2.gz XXYQSZSKNZLKDX-DNVCBOLYSA-N 2 2 375.473 0.396 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164701819 719935800 /nfs/dbraw/zinc/93/58/00/719935800.db2.gz CFPIWKIYSNUVHK-UHFFFAOYSA-N 2 2 395.511 0.411 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@@H]43)[nH+]2)CC1 ZINC001164846215 720802017 /nfs/dbraw/zinc/80/20/17/720802017.db2.gz IOYYVJGYUPXMPU-BZSNNMDCSA-N 2 2 385.512 0.953 20 0 GCADLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4[nH]cc(C(=O)OC)c43)CC[C@@H]2C1 ZINC001164854071 720862371 /nfs/dbraw/zinc/86/23/71/720862371.db2.gz IVKQNSRLNFICIF-HIFRSBDPSA-N 2 2 389.456 0.918 20 0 GCADLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4[nH]cc(C(=O)OC)c43)CC[C@@H]2C1 ZINC001164854071 720862373 /nfs/dbraw/zinc/86/23/73/720862373.db2.gz IVKQNSRLNFICIF-HIFRSBDPSA-N 2 2 389.456 0.918 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4[C@H](C3)OCCN4c3cnccn3)[nH+]2)CC1 ZINC001164765383 721263044 /nfs/dbraw/zinc/26/30/44/721263044.db2.gz KSFRUXVHXHCGPV-SJORKVTESA-N 2 2 381.484 0.717 20 0 GCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164890581 721394613 /nfs/dbraw/zinc/39/46/13/721394613.db2.gz OLYAUUUTIVAXGS-DYESRHJHSA-N 2 2 386.544 0.888 20 0 GCADLP C(C1CC1)[N@H+]1C[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H](C1)O2 ZINC001164967519 722074825 /nfs/dbraw/zinc/07/48/25/722074825.db2.gz SVCZJLPQNVRQBL-IYBDPMFKSA-N 2 2 386.500 0.216 20 0 GCADLP C(C1CC1)[N@@H+]1C[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H](C1)O2 ZINC001164967519 722074827 /nfs/dbraw/zinc/07/48/27/722074827.db2.gz SVCZJLPQNVRQBL-IYBDPMFKSA-N 2 2 386.500 0.216 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571263807 945467552 /nfs/dbraw/zinc/46/75/52/945467552.db2.gz BIIDZJGZTBOJDQ-XOKHGSTOSA-N 2 2 385.472 0.276 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571263807 945467557 /nfs/dbraw/zinc/46/75/57/945467557.db2.gz BIIDZJGZTBOJDQ-XOKHGSTOSA-N 2 2 385.472 0.276 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571263807 945467563 /nfs/dbraw/zinc/46/75/63/945467563.db2.gz BIIDZJGZTBOJDQ-XOKHGSTOSA-N 2 2 385.472 0.276 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571263807 945467567 /nfs/dbraw/zinc/46/75/67/945467567.db2.gz BIIDZJGZTBOJDQ-XOKHGSTOSA-N 2 2 385.472 0.276 20 0 GCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cc1c[nH+]cn1C ZINC001571272491 945664097 /nfs/dbraw/zinc/66/40/97/945664097.db2.gz UQUZFQIPAMLSIJ-VXGBXAGGSA-N 2 2 386.485 0.983 20 0 GCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571276138 945724897 /nfs/dbraw/zinc/72/48/97/945724897.db2.gz HXGUGIWRDFIAGX-CJNGLKHVSA-N 2 2 386.460 0.020 20 0 GCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571276138 945724905 /nfs/dbraw/zinc/72/49/05/945724905.db2.gz HXGUGIWRDFIAGX-CJNGLKHVSA-N 2 2 386.460 0.020 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574431734 948925389 /nfs/dbraw/zinc/92/53/89/948925389.db2.gz ALUBSQUTUWGCKB-CYBMUJFWSA-N 2 2 381.444 0.977 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574432274 948932920 /nfs/dbraw/zinc/93/29/20/948932920.db2.gz ICPUXLNNIOXWCP-ZDUSSCGKSA-N 2 2 381.444 0.717 20 0 GCADLP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574943804 949383312 /nfs/dbraw/zinc/38/33/12/949383312.db2.gz YUHZTLPQLJIWAH-GFCCVEGCSA-N 2 2 381.444 0.376 20 0 GCADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265031 949439980 /nfs/dbraw/zinc/43/99/80/949439980.db2.gz RTLCTTNAIPVNTF-DYVFJYSZSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265031 949440004 /nfs/dbraw/zinc/44/00/04/949440004.db2.gz RTLCTTNAIPVNTF-DYVFJYSZSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266537 949482976 /nfs/dbraw/zinc/48/29/76/949482976.db2.gz ZCEGVLFEHRYYRI-GUYCJALGSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266537 949482993 /nfs/dbraw/zinc/48/29/93/949482993.db2.gz ZCEGVLFEHRYYRI-GUYCJALGSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711451 949537213 /nfs/dbraw/zinc/53/72/13/949537213.db2.gz HJNKIFLGEVRDPV-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711451 949537229 /nfs/dbraw/zinc/53/72/29/949537229.db2.gz HJNKIFLGEVRDPV-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711805 949555083 /nfs/dbraw/zinc/55/50/83/949555083.db2.gz MLDMSBQELMJGBO-QWHCGFSZSA-N 2 2 381.444 0.402 20 0 GCADLP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574713912 949619583 /nfs/dbraw/zinc/61/95/83/949619583.db2.gz ZIOIHWDPOMCENE-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574713912 949619593 /nfs/dbraw/zinc/61/95/93/949619593.db2.gz ZIOIHWDPOMCENE-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171031 949747887 /nfs/dbraw/zinc/74/78/87/949747887.db2.gz OXTUJWRLUGYYGQ-RHSMWYFYSA-N 2 2 384.488 0.818 20 0 GCADLP C[C@@H](CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cc[nH+]c1 ZINC001574494841 950188164 /nfs/dbraw/zinc/18/81/64/950188164.db2.gz PDJCRGLVDHKHLZ-BLLLJJGKSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575901679 950238222 /nfs/dbraw/zinc/23/82/22/950238222.db2.gz PSRVZXZGJPAGLB-LRDDRELGSA-N 2 2 384.419 0.982 20 0 GCADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575907557 950336880 /nfs/dbraw/zinc/33/68/80/950336880.db2.gz PDGSYCFPOGVDOA-FZMZJTMJSA-N 2 2 386.485 0.983 20 0 GCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576197419 950392180 /nfs/dbraw/zinc/39/21/80/950392180.db2.gz NJKPJAXIPYRTMN-PBHICJAKSA-N 2 2 384.488 0.674 20 0 GCADLP C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574508524 950481199 /nfs/dbraw/zinc/48/11/99/950481199.db2.gz PCIMTJAYWAJODO-MELADBBJSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576206134 950558857 /nfs/dbraw/zinc/55/88/57/950558857.db2.gz VAZUVIWJXPAYOS-CQSZACIVSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576206134 950558876 /nfs/dbraw/zinc/55/88/76/950558876.db2.gz VAZUVIWJXPAYOS-CQSZACIVSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206981 950588226 /nfs/dbraw/zinc/58/82/26/950588226.db2.gz BEGFBBBYFIHFAK-ZDUSSCGKSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206981 950588243 /nfs/dbraw/zinc/58/82/43/950588243.db2.gz BEGFBBBYFIHFAK-ZDUSSCGKSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206981 950588254 /nfs/dbraw/zinc/58/82/54/950588254.db2.gz BEGFBBBYFIHFAK-ZDUSSCGKSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206981 950588276 /nfs/dbraw/zinc/58/82/76/950588276.db2.gz BEGFBBBYFIHFAK-ZDUSSCGKSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575079920 951699687 /nfs/dbraw/zinc/69/96/87/951699687.db2.gz SXTRVXCAPXEMQG-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575079920 951699690 /nfs/dbraw/zinc/69/96/90/951699690.db2.gz SXTRVXCAPXEMQG-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575098108 951819507 /nfs/dbraw/zinc/81/95/07/951819507.db2.gz ASJZSTDUZIXEJK-AAEUAGOBSA-N 2 2 379.490 0.195 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575098108 951819520 /nfs/dbraw/zinc/81/95/20/951819520.db2.gz ASJZSTDUZIXEJK-AAEUAGOBSA-N 2 2 379.490 0.195 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575104879 951890321 /nfs/dbraw/zinc/89/03/21/951890321.db2.gz FYVXAGIYWOMUAZ-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575104879 951890333 /nfs/dbraw/zinc/89/03/33/951890333.db2.gz FYVXAGIYWOMUAZ-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575202631 952514978 /nfs/dbraw/zinc/51/49/78/952514978.db2.gz WOJCZJLLELLIEQ-LRDDRELGSA-N 2 2 384.444 0.035 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571141497 952633541 /nfs/dbraw/zinc/63/35/41/952633541.db2.gz HMLTYWDPOKVEJT-DOTOQJQBSA-N 2 2 378.440 0.796 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571141497 952633544 /nfs/dbraw/zinc/63/35/44/952633544.db2.gz HMLTYWDPOKVEJT-DOTOQJQBSA-N 2 2 378.440 0.796 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571146258 952648262 /nfs/dbraw/zinc/64/82/62/952648262.db2.gz FGLAPHUFENIGIW-CVEARBPZSA-N 2 2 379.428 0.728 20 0 GCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166625 952763150 /nfs/dbraw/zinc/76/31/50/952763150.db2.gz NSVLWEQKPMJOFC-SUMWQHHRSA-N 2 2 380.456 0.779 20 0 GCADLP CN(C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571184780 952896241 /nfs/dbraw/zinc/89/62/41/952896241.db2.gz CYWCSXBTZIZMFO-CQSZACIVSA-N 2 2 381.444 0.976 20 0 GCADLP Cc1cc(NC2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188168 952912705 /nfs/dbraw/zinc/91/27/05/952912705.db2.gz HGHOMDQKMYDLKY-UHFFFAOYSA-N 2 2 381.444 0.751 20 0 GCADLP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188207 952913945 /nfs/dbraw/zinc/91/39/45/952913945.db2.gz IEWXOIBTSRQBSC-IAQYHMDHSA-N 2 2 381.444 0.487 20 0 GCADLP Cc1cc(N[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188424 952915190 /nfs/dbraw/zinc/91/51/90/952915190.db2.gz KNQHLIJTVPROIL-HNNXBMFYSA-N 2 2 381.444 0.538 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571188726 952919922 /nfs/dbraw/zinc/91/99/22/952919922.db2.gz GTSNNJIQGALCJG-CQSZACIVSA-N 2 2 381.444 0.763 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001571189028 952924222 /nfs/dbraw/zinc/92/42/22/952924222.db2.gz PUOMDFRIPYPHTR-ZFWWWQNUSA-N 2 2 381.444 0.598 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571189512 952930745 /nfs/dbraw/zinc/93/07/45/952930745.db2.gz WOMDJZPIMANOEL-CQSZACIVSA-N 2 2 381.444 0.682 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571212417 953088011 /nfs/dbraw/zinc/08/80/11/953088011.db2.gz LLDCRWUOOJMGAZ-IXDOHACOSA-N 2 2 382.472 0.926 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571212417 953088014 /nfs/dbraw/zinc/08/80/14/953088014.db2.gz LLDCRWUOOJMGAZ-IXDOHACOSA-N 2 2 382.472 0.926 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571219349 953125380 /nfs/dbraw/zinc/12/53/80/953125380.db2.gz XRVPBBSCUWWHAK-HOCLYGCPSA-N 2 2 382.472 0.785 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252339 953327843 /nfs/dbraw/zinc/32/78/43/953327843.db2.gz LJRWQRAJEYEGOT-RHSMWYFYSA-N 2 2 384.488 0.961 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252339 953327846 /nfs/dbraw/zinc/32/78/46/953327846.db2.gz LJRWQRAJEYEGOT-RHSMWYFYSA-N 2 2 384.488 0.961 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000653082942 530123927 /nfs/dbraw/zinc/12/39/27/530123927.db2.gz KAFFSMVUURDTMA-CQSZACIVSA-N 2 2 385.306 0.964 20 0 GCADLP O=S(=O)(CC[NH2+]C1(CO)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000662285740 530124430 /nfs/dbraw/zinc/12/44/30/530124430.db2.gz GRBDQAHXSDMXNV-UHFFFAOYSA-N 2 2 377.304 0.927 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000653154310 530191005 /nfs/dbraw/zinc/19/10/05/530191005.db2.gz OHGGZQVVEXBTAG-KGLIPLIRSA-N 2 2 383.290 0.728 20 0 GCADLP C[C@H](C(=O)NCCCNC(=O)[C@@H](C)[NH+]1CCSCC1)[NH+]1CCSCC1 ZINC000557648445 530198356 /nfs/dbraw/zinc/19/83/56/530198356.db2.gz WWPKLWSEFCZQRP-HUUCEWRRSA-N 2 2 388.603 0.484 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C[C@@H](C)O1 ZINC000569351284 530228041 /nfs/dbraw/zinc/22/80/41/530228041.db2.gz WWVNOKYACCRHSW-FMKPAKJESA-N 2 2 375.535 0.003 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707505 530241669 /nfs/dbraw/zinc/24/16/69/530241669.db2.gz BGNNBRUZVNLZPE-UMVBOHGHSA-N 2 2 393.285 0.946 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707505 530241671 /nfs/dbraw/zinc/24/16/71/530241671.db2.gz BGNNBRUZVNLZPE-UMVBOHGHSA-N 2 2 393.285 0.946 20 0 GCADLP C[N@@H+]1CCN(C(=O)Nc2ccncc2I)[C@@H](C[NH3+])C1 ZINC000562756417 530295332 /nfs/dbraw/zinc/29/53/32/530295332.db2.gz UQMDMVZDLYKTFM-VIFPVBQESA-N 2 2 375.214 0.215 20 0 GCADLP C[N@H+]1CCN(C(=O)Nc2ccncc2I)[C@@H](C[NH3+])C1 ZINC000562756417 530295334 /nfs/dbraw/zinc/29/53/34/530295334.db2.gz UQMDMVZDLYKTFM-VIFPVBQESA-N 2 2 375.214 0.215 20 0 GCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571656713 530322661 /nfs/dbraw/zinc/32/26/61/530322661.db2.gz DKLJQRQYHNICQU-QWHCGFSZSA-N 2 2 393.535 0.286 20 0 GCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571656713 530322663 /nfs/dbraw/zinc/32/26/63/530322663.db2.gz DKLJQRQYHNICQU-QWHCGFSZSA-N 2 2 393.535 0.286 20 0 GCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000644550550 530358594 /nfs/dbraw/zinc/35/85/94/530358594.db2.gz KFUBPAKERMYPEB-KRWDZBQOSA-N 2 2 387.571 0.448 20 0 GCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000644550550 530358596 /nfs/dbraw/zinc/35/85/96/530358596.db2.gz KFUBPAKERMYPEB-KRWDZBQOSA-N 2 2 387.571 0.448 20 0 GCADLP COC(=O)C1(CS(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000462099757 530363578 /nfs/dbraw/zinc/36/35/78/530363578.db2.gz DGDLVAZYZKVJBP-UHFFFAOYSA-N 2 2 375.535 0.617 20 0 GCADLP COC(=O)C1(CS(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000462099757 530363580 /nfs/dbraw/zinc/36/35/80/530363580.db2.gz DGDLVAZYZKVJBP-UHFFFAOYSA-N 2 2 375.535 0.617 20 0 GCADLP C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000498883672 530394421 /nfs/dbraw/zinc/39/44/21/530394421.db2.gz KYSIRHQSWMEQJJ-CALCHBBNSA-N 2 2 377.551 0.518 20 0 GCADLP C[C@@H]1C[N@H+](CCCCNS(=O)(=O)CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000498883672 530394423 /nfs/dbraw/zinc/39/44/23/530394423.db2.gz KYSIRHQSWMEQJJ-CALCHBBNSA-N 2 2 377.551 0.518 20 0 GCADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874705 530442974 /nfs/dbraw/zinc/44/29/74/530442974.db2.gz PVFCEWSJQYWJBW-DZGCQCFKSA-N 2 2 395.301 0.651 20 0 GCADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874705 530442976 /nfs/dbraw/zinc/44/29/76/530442976.db2.gz PVFCEWSJQYWJBW-DZGCQCFKSA-N 2 2 395.301 0.651 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc(I)cc1 ZINC000595902234 530449992 /nfs/dbraw/zinc/44/99/92/530449992.db2.gz OGAKNQHDNABMIU-UHFFFAOYSA-N 2 2 389.237 0.934 20 0 GCADLP NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000521437027 530486134 /nfs/dbraw/zinc/48/61/34/530486134.db2.gz JCTOXFIGBNZQNP-TZMCWYRMSA-N 2 2 383.290 0.762 20 0 GCADLP NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000521437027 530486136 /nfs/dbraw/zinc/48/61/36/530486136.db2.gz JCTOXFIGBNZQNP-TZMCWYRMSA-N 2 2 383.290 0.762 20 0 GCADLP [NH3+]CCSCc1cn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000603204673 530488197 /nfs/dbraw/zinc/48/81/97/530488197.db2.gz PLNPUXGIHTUFEA-UHFFFAOYSA-N 2 2 380.543 0.876 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CS[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000050801265 530508504 /nfs/dbraw/zinc/50/85/04/530508504.db2.gz ZLCODBRDAUPSEB-INIZCTEOSA-N 2 2 389.587 0.582 20 0 GCADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000573091807 530575158 /nfs/dbraw/zinc/57/51/58/530575158.db2.gz DDQHADLYISOOQA-CQSZACIVSA-N 2 2 398.305 0.463 20 0 GCADLP C[N@H+]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000573091807 530575159 /nfs/dbraw/zinc/57/51/59/530575159.db2.gz DDQHADLYISOOQA-CQSZACIVSA-N 2 2 398.305 0.463 20 0 GCADLP O=S(=O)(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000629579134 530581768 /nfs/dbraw/zinc/58/17/68/530581768.db2.gz ZCWOOQXGGYHTBB-CYBMUJFWSA-N 2 2 379.885 0.804 20 0 GCADLP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000520351298 530610682 /nfs/dbraw/zinc/61/06/82/530610682.db2.gz XATQBAXHMQCODY-AWEZNQCLSA-N 2 2 398.305 0.865 20 0 GCADLP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000520351298 530610684 /nfs/dbraw/zinc/61/06/84/530610684.db2.gz XATQBAXHMQCODY-AWEZNQCLSA-N 2 2 398.305 0.865 20 0 GCADLP C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[N@@H+]1C1CC1 ZINC000573983020 530585707 /nfs/dbraw/zinc/58/57/07/530585707.db2.gz ZHKAHEALIHTNMM-VXGBXAGGSA-N 2 2 391.519 0.086 20 0 GCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053268 530586429 /nfs/dbraw/zinc/58/64/29/530586429.db2.gz ARABTGVPTMKPTK-JSGCOSHPSA-N 2 2 385.295 0.896 20 0 GCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053268 530586432 /nfs/dbraw/zinc/58/64/32/530586432.db2.gz ARABTGVPTMKPTK-JSGCOSHPSA-N 2 2 385.295 0.896 20 0 GCADLP CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577171731 530617384 /nfs/dbraw/zinc/61/73/84/530617384.db2.gz BARVPEWHELWZLE-UXLLHSPISA-N 2 2 377.551 0.250 20 0 GCADLP CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577171731 530617387 /nfs/dbraw/zinc/61/73/87/530617387.db2.gz BARVPEWHELWZLE-UXLLHSPISA-N 2 2 377.551 0.250 20 0 GCADLP CCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000461865926 530645336 /nfs/dbraw/zinc/64/53/36/530645336.db2.gz OREYFOJNEZEEFM-HOCLYGCPSA-N 2 2 375.535 0.111 20 0 GCADLP CCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000461865922 530645410 /nfs/dbraw/zinc/64/54/10/530645410.db2.gz OREYFOJNEZEEFM-GDBMZVCRSA-N 2 2 375.535 0.111 20 0 GCADLP COCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)CC1 ZINC000463280386 530657103 /nfs/dbraw/zinc/65/71/03/530657103.db2.gz LWOMLWAVMGASGU-UHFFFAOYSA-N 2 2 378.520 0.136 20 0 GCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464787457 530663543 /nfs/dbraw/zinc/66/35/43/530663543.db2.gz AXPJPHVXXHQCLO-INIZCTEOSA-N 2 2 376.567 0.436 20 0 GCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464787457 530663546 /nfs/dbraw/zinc/66/35/46/530663546.db2.gz AXPJPHVXXHQCLO-INIZCTEOSA-N 2 2 376.567 0.436 20 0 GCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464787457 530663547 /nfs/dbraw/zinc/66/35/47/530663547.db2.gz AXPJPHVXXHQCLO-INIZCTEOSA-N 2 2 376.567 0.436 20 0 GCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464787457 530663550 /nfs/dbraw/zinc/66/35/50/530663550.db2.gz AXPJPHVXXHQCLO-INIZCTEOSA-N 2 2 376.567 0.436 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)NC[C@H]1CCCCO1 ZINC000655727493 530801625 /nfs/dbraw/zinc/80/16/25/530801625.db2.gz OISDDGCUASRWPG-DLBZAZTESA-N 2 2 375.535 0.318 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000375890792 530808192 /nfs/dbraw/zinc/80/81/92/530808192.db2.gz ONONLASGYJAHSA-UHFFFAOYSA-N 2 2 391.603 0.990 20 0 GCADLP Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583252241 530867266 /nfs/dbraw/zinc/86/72/66/530867266.db2.gz FVQWCWASTOSXMS-CYBMUJFWSA-N 2 2 398.305 0.980 20 0 GCADLP Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000583252241 530867269 /nfs/dbraw/zinc/86/72/69/530867269.db2.gz FVQWCWASTOSXMS-CYBMUJFWSA-N 2 2 398.305 0.980 20 0 GCADLP CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657092959 530875137 /nfs/dbraw/zinc/87/51/37/530875137.db2.gz UWJQDTLHGAYRSD-KRWDZBQOSA-N 2 2 376.567 0.580 20 0 GCADLP CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657092959 530875141 /nfs/dbraw/zinc/87/51/41/530875141.db2.gz UWJQDTLHGAYRSD-KRWDZBQOSA-N 2 2 376.567 0.580 20 0 GCADLP C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000656382811 530843572 /nfs/dbraw/zinc/84/35/72/530843572.db2.gz SBBQXWZQQHVWMN-STQMWFEESA-N 2 2 393.535 0.334 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCN(C)S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000584716969 530922639 /nfs/dbraw/zinc/92/26/39/530922639.db2.gz PZDZTORAPVGBRL-QLFBSQMISA-N 2 2 391.559 0.428 20 0 GCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCN(C)S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000584716969 530922641 /nfs/dbraw/zinc/92/26/41/530922641.db2.gz PZDZTORAPVGBRL-QLFBSQMISA-N 2 2 391.559 0.428 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N[C@H](C)CC[NH3+])[nH+]c12 ZINC000419036584 530952433 /nfs/dbraw/zinc/95/24/33/530952433.db2.gz BLVLTJLRRGETKY-LLVKDONJSA-N 2 2 396.289 0.917 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)[nH+]c12 ZINC000419045891 530953393 /nfs/dbraw/zinc/95/33/93/530953393.db2.gz UGPXPJYPUUKLIG-NSHDSACASA-N 2 2 394.273 0.842 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N[C@H]3CC[NH2+]C3)[nH+]c12 ZINC000419041940 530953747 /nfs/dbraw/zinc/95/37/47/530953747.db2.gz KUZRDUZFTMMCFS-LBPRGKRZSA-N 2 2 394.273 0.542 20 0 GCADLP C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000571802476 530981839 /nfs/dbraw/zinc/98/18/39/530981839.db2.gz SZSFTXWDWJBAQD-JTQLQIEISA-N 2 2 395.312 0.373 20 0 GCADLP C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000571802476 530981841 /nfs/dbraw/zinc/98/18/41/530981841.db2.gz SZSFTXWDWJBAQD-JTQLQIEISA-N 2 2 395.312 0.373 20 0 GCADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420357709 530967306 /nfs/dbraw/zinc/96/73/06/530967306.db2.gz SPKBQZIKFWDJNU-SKDRFNHKSA-N 2 2 377.226 0.870 20 0 GCADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420357709 530967308 /nfs/dbraw/zinc/96/73/08/530967308.db2.gz SPKBQZIKFWDJNU-SKDRFNHKSA-N 2 2 377.226 0.870 20 0 GCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301061 530988989 /nfs/dbraw/zinc/98/89/89/530988989.db2.gz VXUPHTLLRAYMEP-IRXDYDNUSA-N 2 2 377.551 0.252 20 0 GCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301061 530988992 /nfs/dbraw/zinc/98/89/92/530988992.db2.gz VXUPHTLLRAYMEP-IRXDYDNUSA-N 2 2 377.551 0.252 20 0 GCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301061 530988994 /nfs/dbraw/zinc/98/89/94/530988994.db2.gz VXUPHTLLRAYMEP-IRXDYDNUSA-N 2 2 377.551 0.252 20 0 GCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301061 530988996 /nfs/dbraw/zinc/98/89/96/530988996.db2.gz VXUPHTLLRAYMEP-IRXDYDNUSA-N 2 2 377.551 0.252 20 0 GCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)CC1 ZINC000262626147 531034904 /nfs/dbraw/zinc/03/49/04/531034904.db2.gz DMQIKVJKSWRUHY-HNNXBMFYSA-N 2 2 384.527 0.614 20 0 GCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000659926494 530998942 /nfs/dbraw/zinc/99/89/42/530998942.db2.gz MCAYKLKQWGNGSF-CQSZACIVSA-N 2 2 389.484 0.976 20 0 GCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000659926494 530998944 /nfs/dbraw/zinc/99/89/44/530998944.db2.gz MCAYKLKQWGNGSF-CQSZACIVSA-N 2 2 389.484 0.976 20 0 GCADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Br)cn1 ZINC000665236529 531051621 /nfs/dbraw/zinc/05/16/21/531051621.db2.gz ORKDSJBYQSWDBB-CABCVRRESA-N 2 2 383.290 0.931 20 0 GCADLP CS[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@@H]1[NH+]1CCCC1 ZINC000614987222 531088543 /nfs/dbraw/zinc/08/85/43/531088543.db2.gz JDKZRAZERSPMIF-HOTGVXAUSA-N 2 2 377.576 0.550 20 0 GCADLP [NH3+]CC1CC[NH+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000430606028 531113277 /nfs/dbraw/zinc/11/32/77/531113277.db2.gz VGWKUXDYRPHEMP-OAHLLOKOSA-N 2 2 385.555 0.935 20 0 GCADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430622513 531113638 /nfs/dbraw/zinc/11/36/38/531113638.db2.gz FNDNQQIVNWBANC-GXTWGEPZSA-N 2 2 383.290 0.762 20 0 GCADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430622513 531113639 /nfs/dbraw/zinc/11/36/39/531113639.db2.gz FNDNQQIVNWBANC-GXTWGEPZSA-N 2 2 383.290 0.762 20 0 GCADLP C[C@](C[NH3+])([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000430561089 531113678 /nfs/dbraw/zinc/11/36/78/531113678.db2.gz YZOIBQMDIMECGM-WMLDXEAASA-N 2 2 385.555 0.981 20 0 GCADLP [NH3+]CC1CC[NH+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000430606027 531113709 /nfs/dbraw/zinc/11/37/09/531113709.db2.gz VGWKUXDYRPHEMP-HNNXBMFYSA-N 2 2 385.555 0.935 20 0 GCADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000550887184 531134465 /nfs/dbraw/zinc/13/44/65/531134465.db2.gz VCBNKYWNHMIUDP-GXTWGEPZSA-N 2 2 385.306 0.929 20 0 GCADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000550887184 531134466 /nfs/dbraw/zinc/13/44/66/531134466.db2.gz VCBNKYWNHMIUDP-GXTWGEPZSA-N 2 2 385.306 0.929 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000680952427 531162721 /nfs/dbraw/zinc/16/27/21/531162721.db2.gz BVORZMUDAXGFOR-UHFFFAOYSA-N 2 2 375.535 0.083 20 0 GCADLP C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1[NH+](C)C ZINC000566485868 531198180 /nfs/dbraw/zinc/19/81/80/531198180.db2.gz CGLDMVLQISIDLU-QWHCGFSZSA-N 2 2 393.535 0.143 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000359932799 209203661 /nfs/dbraw/zinc/20/36/61/209203661.db2.gz DFGCYJJKWRJVHV-UHFFFAOYSA-N 2 2 388.516 0.712 20 0 GCADLP CCOC[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736609211 598849146 /nfs/dbraw/zinc/84/91/46/598849146.db2.gz PCNLWPLOABJZBL-AWEZNQCLSA-N 2 2 383.456 0.934 20 0 GCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736144610 598349356 /nfs/dbraw/zinc/34/93/56/598349356.db2.gz PLBJYSAAJQSYEA-YOEHRIQHSA-N 2 2 390.488 0.383 20 0 GCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736144610 598349358 /nfs/dbraw/zinc/34/93/58/598349358.db2.gz PLBJYSAAJQSYEA-YOEHRIQHSA-N 2 2 390.488 0.383 20 0 GCADLP CN(C(=O)CNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736852592 598742969 /nfs/dbraw/zinc/74/29/69/598742969.db2.gz RFGNAVGEMJXQBR-SFHVURJKSA-N 2 2 398.515 0.906 20 0 GCADLP CN(C(=O)CNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736852592 598742971 /nfs/dbraw/zinc/74/29/71/598742971.db2.gz RFGNAVGEMJXQBR-SFHVURJKSA-N 2 2 398.515 0.906 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736851908 598769407 /nfs/dbraw/zinc/76/94/07/598769407.db2.gz MKLRQLPLPCTZGJ-AWEZNQCLSA-N 2 2 385.472 0.530 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736851908 598769409 /nfs/dbraw/zinc/76/94/09/598769409.db2.gz MKLRQLPLPCTZGJ-AWEZNQCLSA-N 2 2 385.472 0.530 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736766845 598776609 /nfs/dbraw/zinc/77/66/09/598776609.db2.gz GAKKZJRMVHPFGC-UHFFFAOYSA-N 2 2 385.469 0.120 20 0 GCADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1-c1nn[nH]n1 ZINC000821813461 599422374 /nfs/dbraw/zinc/42/23/74/599422374.db2.gz HTCRJNNSNGZZFK-INIZCTEOSA-N 2 2 387.488 0.908 20 0 GCADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1-c1nn[nH]n1 ZINC000821813461 599422376 /nfs/dbraw/zinc/42/23/76/599422376.db2.gz HTCRJNNSNGZZFK-INIZCTEOSA-N 2 2 387.488 0.908 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736748083 599490670 /nfs/dbraw/zinc/49/06/70/599490670.db2.gz VXHZDVDYZMAZOP-UHFFFAOYSA-N 2 2 397.487 0.547 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000825865383 607606765 /nfs/dbraw/zinc/60/67/65/607606765.db2.gz BTYBKQYFYBVORY-UHFFFAOYSA-N 2 2 385.469 0.120 20 0 GCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000826038613 607958629 /nfs/dbraw/zinc/95/86/29/607958629.db2.gz REZZNDSKJQGQIA-UHFFFAOYSA-N 2 2 384.488 0.153 20 0 GCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000826038613 607958630 /nfs/dbraw/zinc/95/86/30/607958630.db2.gz REZZNDSKJQGQIA-UHFFFAOYSA-N 2 2 384.488 0.153 20 0 GCADLP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824984938 608170672 /nfs/dbraw/zinc/17/06/72/608170672.db2.gz PPAYARKBTKHPTE-MNEFBYGVSA-N 2 2 385.516 0.858 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824984938 608170673 /nfs/dbraw/zinc/17/06/73/608170673.db2.gz PPAYARKBTKHPTE-MNEFBYGVSA-N 2 2 385.516 0.858 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824984935 608170926 /nfs/dbraw/zinc/17/09/26/608170926.db2.gz PPAYARKBTKHPTE-ATZDWAIDSA-N 2 2 385.516 0.858 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824984935 608170928 /nfs/dbraw/zinc/17/09/28/608170928.db2.gz PPAYARKBTKHPTE-ATZDWAIDSA-N 2 2 385.516 0.858 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826022396 609230071 /nfs/dbraw/zinc/23/00/71/609230071.db2.gz LQGQCAUFLUKTBO-QGZVFWFLSA-N 2 2 387.488 0.385 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826022396 609230073 /nfs/dbraw/zinc/23/00/73/609230073.db2.gz LQGQCAUFLUKTBO-QGZVFWFLSA-N 2 2 387.488 0.385 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731570288 639768494 /nfs/dbraw/zinc/76/84/94/639768494.db2.gz TXFVWQDZBMOPKC-OAHLLOKOSA-N 2 2 376.592 0.444 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731570288 639768497 /nfs/dbraw/zinc/76/84/97/639768497.db2.gz TXFVWQDZBMOPKC-OAHLLOKOSA-N 2 2 376.592 0.444 20 0 GCADLP CC[NH+](CC)CCN(C(=S)NC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000920306587 639919281 /nfs/dbraw/zinc/91/92/81/639919281.db2.gz CJTZYKVSZXJRGM-INIZCTEOSA-N 2 2 390.619 0.786 20 0 GCADLP C[NH+](C)[C@@]1(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCSC1 ZINC000748634573 640328393 /nfs/dbraw/zinc/32/83/93/640328393.db2.gz ZARRIAJOOQTTGT-MRXNPFEDSA-N 2 2 392.591 0.232 20 0 GCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764587488 640650251 /nfs/dbraw/zinc/65/02/51/640650251.db2.gz XIZAAPJVRWYVFQ-ZDUSSCGKSA-N 2 2 386.499 0.960 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000775152897 641067579 /nfs/dbraw/zinc/06/75/79/641067579.db2.gz OYEMPHCURDUWMV-JSGCOSHPSA-N 2 2 391.343 0.923 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000775152897 641067582 /nfs/dbraw/zinc/06/75/82/641067582.db2.gz OYEMPHCURDUWMV-JSGCOSHPSA-N 2 2 391.343 0.923 20 0 GCADLP C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)(C)C[NH+](C)C ZINC000119455798 641237893 /nfs/dbraw/zinc/23/78/93/641237893.db2.gz JFEVXNJGHLCSRC-CQSZACIVSA-N 2 2 376.567 0.771 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)C2)CC1 ZINC000788525270 641370918 /nfs/dbraw/zinc/37/09/18/641370918.db2.gz KPEVLBDNLUDHHT-LLVKDONJSA-N 2 2 382.452 0.640 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)C2)CC1 ZINC000788525270 641370920 /nfs/dbraw/zinc/37/09/20/641370920.db2.gz KPEVLBDNLUDHHT-LLVKDONJSA-N 2 2 382.452 0.640 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876725479 641568980 /nfs/dbraw/zinc/56/89/80/641568980.db2.gz JXTJVRZRABTGHY-OAHLLOKOSA-N 2 2 383.290 0.776 20 0 GCADLP O[C@@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(F)(F)C(F)(F)F ZINC000883360042 641751887 /nfs/dbraw/zinc/75/18/87/641751887.db2.gz SJXJSFUVUJWPBA-ZDUSSCGKSA-N 2 2 375.382 0.931 20 0 GCADLP O=S(=O)(N1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1)C(F)(F)F ZINC000817890648 641891603 /nfs/dbraw/zinc/89/16/03/641891603.db2.gz WABZAJZUIXMBBH-KBPBESRZSA-N 2 2 385.452 0.905 20 0 GCADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959855 641892752 /nfs/dbraw/zinc/89/27/52/641892752.db2.gz JSBKQSPCFIOUEZ-IAQYHMDHSA-N 2 2 375.516 0.800 20 0 GCADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc2Cl)CC1 ZINC000828053944 642090458 /nfs/dbraw/zinc/09/04/58/642090458.db2.gz JQEJKPLXYKGOBU-AWEZNQCLSA-N 2 2 388.921 0.792 20 0 GCADLP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@@H](O)C[NH+]1CCCC1 ZINC000832555374 642191681 /nfs/dbraw/zinc/19/16/81/642191681.db2.gz NDPGYMZDCZYIEC-CYBMUJFWSA-N 2 2 375.466 0.240 20 0 GCADLP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@@H](O)C[NH+]1CCCC1 ZINC000832555374 642191688 /nfs/dbraw/zinc/19/16/88/642191688.db2.gz NDPGYMZDCZYIEC-CYBMUJFWSA-N 2 2 375.466 0.240 20 0 GCADLP C[C@H]1C[N@H+](CCS(=O)(=O)CC[NH+]2C[C@@H](C)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000852702120 642770623 /nfs/dbraw/zinc/77/06/23/642770623.db2.gz HJGSIHPXJPQLJS-MHORFTMASA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[N@@H+](CCS(=O)(=O)CC[NH+]2C[C@@H](C)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000852702120 642770630 /nfs/dbraw/zinc/77/06/30/642770630.db2.gz HJGSIHPXJPQLJS-MHORFTMASA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000852702120 642770640 /nfs/dbraw/zinc/77/06/40/642770640.db2.gz HJGSIHPXJPQLJS-MHORFTMASA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[NH+](CCS(=O)(=O)CC[N@H+]2C[C@@H](C)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000852702120 642770644 /nfs/dbraw/zinc/77/06/44/642770644.db2.gz HJGSIHPXJPQLJS-MHORFTMASA-N 2 2 376.563 0.302 20 0 GCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC(=O)N(C)CC1 ZINC000661809360 1192183998 /nfs/dbraw/zinc/18/39/98/1192183998.db2.gz UWGZIAGLCZTCGR-KRWDZBQOSA-N 2 2 388.512 0.688 20 0 GCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661809360 1192184000 /nfs/dbraw/zinc/18/40/00/1192184000.db2.gz UWGZIAGLCZTCGR-KRWDZBQOSA-N 2 2 388.512 0.688 20 0 GCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000652357293 1192203349 /nfs/dbraw/zinc/20/33/49/1192203349.db2.gz HXTJJMMEBJYFLS-ZSZQSSIHSA-N 2 2 377.485 0.801 20 0 GCADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000652357293 1192203352 /nfs/dbraw/zinc/20/33/52/1192203352.db2.gz HXTJJMMEBJYFLS-ZSZQSSIHSA-N 2 2 377.485 0.801 20 0 GCADLP CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370548 1192205843 /nfs/dbraw/zinc/20/58/43/1192205843.db2.gz CAEFKLKETLMXID-JKSUJKDBSA-N 2 2 380.537 0.600 20 0 GCADLP CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370548 1192205846 /nfs/dbraw/zinc/20/58/46/1192205846.db2.gz CAEFKLKETLMXID-JKSUJKDBSA-N 2 2 380.537 0.600 20 0 GCADLP CC(C)(CNC(=O)C[N@H+](CCN1CCOCC1)CC1CC1)[NH+]1CCOCC1 ZINC000661971344 1192208791 /nfs/dbraw/zinc/20/87/91/1192208791.db2.gz DKLUHHCTFVIFAB-UHFFFAOYSA-N 2 2 382.549 0.258 20 0 GCADLP CC(C)(CNC(=O)C[N@@H+](CCN1CCOCC1)CC1CC1)[NH+]1CCOCC1 ZINC000661971344 1192208792 /nfs/dbraw/zinc/20/87/92/1192208792.db2.gz DKLUHHCTFVIFAB-UHFFFAOYSA-N 2 2 382.549 0.258 20 0 GCADLP Cc1nnc2n1C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000613862247 1192210022 /nfs/dbraw/zinc/21/00/22/1192210022.db2.gz OPQIHEUVFAICOA-FUHWJXTLSA-N 2 2 389.548 0.959 20 0 GCADLP Cc1nnc2n1C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000613862247 1192210026 /nfs/dbraw/zinc/21/00/26/1192210026.db2.gz OPQIHEUVFAICOA-FUHWJXTLSA-N 2 2 389.548 0.959 20 0 GCADLP CC[C@H]1COC(C)(C)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000652506572 1192233614 /nfs/dbraw/zinc/23/36/14/1192233614.db2.gz BAEKSTLUHQGFCG-INIZCTEOSA-N 2 2 382.549 0.887 20 0 GCADLP CC[C@H]1COC(C)(C)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000652506572 1192233617 /nfs/dbraw/zinc/23/36/17/1192233617.db2.gz BAEKSTLUHQGFCG-INIZCTEOSA-N 2 2 382.549 0.887 20 0 GCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C)C[C@H]3Cc3ccccc3)[C@@H]2C1 ZINC000652529919 1192236671 /nfs/dbraw/zinc/23/66/71/1192236671.db2.gz YXJQQUMNTSYQFC-XUVXKRRUSA-N 2 2 384.524 0.924 20 0 GCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C)C[C@H]3Cc3ccccc3)[C@@H]2C1 ZINC000652529919 1192236672 /nfs/dbraw/zinc/23/66/72/1192236672.db2.gz YXJQQUMNTSYQFC-XUVXKRRUSA-N 2 2 384.524 0.924 20 0 GCADLP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[N@H+](C)C[C@H]3Cc3ccccc3)[C@@H]2C1 ZINC000652529919 1192236674 /nfs/dbraw/zinc/23/66/74/1192236674.db2.gz YXJQQUMNTSYQFC-XUVXKRRUSA-N 2 2 384.524 0.924 20 0 GCADLP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[N@@H+](C)C[C@H]3Cc3ccccc3)[C@@H]2C1 ZINC000652529919 1192236677 /nfs/dbraw/zinc/23/66/77/1192236677.db2.gz YXJQQUMNTSYQFC-XUVXKRRUSA-N 2 2 384.524 0.924 20 0 GCADLP Cc1ncc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000636707043 1192274076 /nfs/dbraw/zinc/27/40/76/1192274076.db2.gz IYICUOBIUPSUMB-OCCSQVGLSA-N 2 2 379.530 0.913 20 0 GCADLP Cc1ncc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000636707043 1192274080 /nfs/dbraw/zinc/27/40/80/1192274080.db2.gz IYICUOBIUPSUMB-OCCSQVGLSA-N 2 2 379.530 0.913 20 0 GCADLP COc1ccnc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1OC ZINC000662281818 1192276351 /nfs/dbraw/zinc/27/63/51/1192276351.db2.gz PLCAAPXRNSXNQL-ZBFHGGJFSA-N 2 2 375.473 0.819 20 0 GCADLP COc1ccnc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1OC ZINC000662281818 1192276354 /nfs/dbraw/zinc/27/63/54/1192276354.db2.gz PLCAAPXRNSXNQL-ZBFHGGJFSA-N 2 2 375.473 0.819 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000662286111 1192277103 /nfs/dbraw/zinc/27/71/03/1192277103.db2.gz WRAVMHMMVLWMNB-INIZCTEOSA-N 2 2 375.469 0.825 20 0 GCADLP Cn1ncc2c1nc(C[N@@H+]1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)[nH]c2=O ZINC000662337015 1192284712 /nfs/dbraw/zinc/28/47/12/1192284712.db2.gz IBDDQMOVYPWGRN-ZDUSSCGKSA-N 2 2 397.487 0.581 20 0 GCADLP Cn1ncc2c1nc(C[N@H+]1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)[nH]c2=O ZINC000662337015 1192284716 /nfs/dbraw/zinc/28/47/16/1192284716.db2.gz IBDDQMOVYPWGRN-ZDUSSCGKSA-N 2 2 397.487 0.581 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662365469 1192286373 /nfs/dbraw/zinc/28/63/73/1192286373.db2.gz SUBOEXAAKGUJBJ-GFCCVEGCSA-N 2 2 381.444 0.126 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662377353 1192287062 /nfs/dbraw/zinc/28/70/62/1192287062.db2.gz YAWUDEQECQJLOL-UHFFFAOYSA-N 2 2 391.520 0.219 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662377353 1192287067 /nfs/dbraw/zinc/28/70/67/1192287067.db2.gz YAWUDEQECQJLOL-UHFFFAOYSA-N 2 2 391.520 0.219 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000626253776 1192294230 /nfs/dbraw/zinc/29/42/30/1192294230.db2.gz ZGWNHHYFRKOWSN-OAHLLOKOSA-N 2 2 375.473 0.262 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000626253776 1192294232 /nfs/dbraw/zinc/29/42/32/1192294232.db2.gz ZGWNHHYFRKOWSN-OAHLLOKOSA-N 2 2 375.473 0.262 20 0 GCADLP C[NH+](C)Cc1cnc(CNc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)s1 ZINC000511993460 1192356985 /nfs/dbraw/zinc/35/69/85/1192356985.db2.gz XMKCHAFZJFNDIC-UHFFFAOYSA-N 2 2 377.518 0.787 20 0 GCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)C2)CC1 ZINC000585683097 1192365607 /nfs/dbraw/zinc/36/56/07/1192365607.db2.gz ZQIORQRGACKTEA-QGZVFWFLSA-N 2 2 376.505 0.016 20 0 GCADLP Cc1c(NC[C@@H]2C[N@@H+](C)CCN2C)ncnc1NC[C@H]1C[NH+](C)CCN1C ZINC000663589532 1192405811 /nfs/dbraw/zinc/40/58/11/1192405811.db2.gz DUKBDRACXJZYGM-CALCHBBNSA-N 2 2 376.553 0.100 20 0 GCADLP Cc1c(NC[C@@H]2C[N@H+](C)CCN2C)ncnc1NC[C@H]1C[NH+](C)CCN1C ZINC000663589532 1192405816 /nfs/dbraw/zinc/40/58/16/1192405816.db2.gz DUKBDRACXJZYGM-CALCHBBNSA-N 2 2 376.553 0.100 20 0 GCADLP Cc1c(NC[C@@H]2C[NH+](C)CCN2C)ncnc1NC[C@H]1C[N@H+](C)CCN1C ZINC000663589532 1192405820 /nfs/dbraw/zinc/40/58/20/1192405820.db2.gz DUKBDRACXJZYGM-CALCHBBNSA-N 2 2 376.553 0.100 20 0 GCADLP Cc1c(NC[C@@H]2C[NH+](C)CCN2C)ncnc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000663589532 1192405827 /nfs/dbraw/zinc/40/58/27/1192405827.db2.gz DUKBDRACXJZYGM-CALCHBBNSA-N 2 2 376.553 0.100 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279135488 1192471403 /nfs/dbraw/zinc/47/14/03/1192471403.db2.gz WSXZHMLLKUNCGW-LDBYXDLTSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279135488 1192471408 /nfs/dbraw/zinc/47/14/08/1192471408.db2.gz WSXZHMLLKUNCGW-LDBYXDLTSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279135488 1192471412 /nfs/dbraw/zinc/47/14/12/1192471412.db2.gz WSXZHMLLKUNCGW-LDBYXDLTSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279135488 1192471415 /nfs/dbraw/zinc/47/14/15/1192471415.db2.gz WSXZHMLLKUNCGW-LDBYXDLTSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279135479 1192471727 /nfs/dbraw/zinc/47/17/27/1192471727.db2.gz WSXZHMLLKUNCGW-CEQIKUNHSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279135479 1192471729 /nfs/dbraw/zinc/47/17/29/1192471729.db2.gz WSXZHMLLKUNCGW-CEQIKUNHSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279135479 1192471733 /nfs/dbraw/zinc/47/17/33/1192471733.db2.gz WSXZHMLLKUNCGW-CEQIKUNHSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279135479 1192471735 /nfs/dbraw/zinc/47/17/35/1192471735.db2.gz WSXZHMLLKUNCGW-CEQIKUNHSA-N 2 2 399.495 0.440 20 0 GCADLP O=C(C[NH+]1CCC2(CC1)OCCO2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000028078327 1192491069 /nfs/dbraw/zinc/49/10/69/1192491069.db2.gz OCBOEJGONWMTPZ-UHFFFAOYSA-N 2 2 381.517 0.977 20 0 GCADLP CCC1(CC)NC(=O)N(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000050802781 1192501694 /nfs/dbraw/zinc/50/16/94/1192501694.db2.gz FLJZDUTXTKXTHW-UHFFFAOYSA-N 2 2 393.532 0.772 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000187308271 1192523055 /nfs/dbraw/zinc/52/30/55/1192523055.db2.gz LHBBIJZSQUJDHE-ROUUACIJSA-N 2 2 383.581 0.745 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000187308271 1192523057 /nfs/dbraw/zinc/52/30/57/1192523057.db2.gz LHBBIJZSQUJDHE-ROUUACIJSA-N 2 2 383.581 0.745 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000187307950 1192523370 /nfs/dbraw/zinc/52/33/70/1192523370.db2.gz UQNXWLRTXUXSSJ-MSOLQXFVSA-N 2 2 383.581 0.745 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000187307950 1192523377 /nfs/dbraw/zinc/52/33/77/1192523377.db2.gz UQNXWLRTXUXSSJ-MSOLQXFVSA-N 2 2 383.581 0.745 20 0 GCADLP CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000663778356 1192573400 /nfs/dbraw/zinc/57/34/00/1192573400.db2.gz HWEPPKZSLHEMGC-OAHLLOKOSA-N 2 2 399.561 0.838 20 0 GCADLP CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000663778356 1192573404 /nfs/dbraw/zinc/57/34/04/1192573404.db2.gz HWEPPKZSLHEMGC-OAHLLOKOSA-N 2 2 399.561 0.838 20 0 GCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000187413134 1192588974 /nfs/dbraw/zinc/58/89/74/1192588974.db2.gz VWVLQVCGOQACFV-GOSISDBHSA-N 2 2 383.581 0.891 20 0 GCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000187413134 1192588978 /nfs/dbraw/zinc/58/89/78/1192588978.db2.gz VWVLQVCGOQACFV-GOSISDBHSA-N 2 2 383.581 0.891 20 0 GCADLP O=C(CCc1ccccc1)NC1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000613995573 1192594268 /nfs/dbraw/zinc/59/42/68/1192594268.db2.gz JYKAGOLPHXYUAT-RTBURBONSA-N 2 2 384.524 0.878 20 0 GCADLP C[NH+]1CCN(CCNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000512291274 1192599512 /nfs/dbraw/zinc/59/95/12/1192599512.db2.gz GZBDXLFHRKSXEZ-UHFFFAOYSA-N 2 2 384.484 0.889 20 0 GCADLP O=C(CN1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000613997342 1192602667 /nfs/dbraw/zinc/60/26/67/1192602667.db2.gz WUKPCUWYYZUZPQ-IYBDPMFKSA-N 2 2 389.475 0.060 20 0 GCADLP O=C(CN1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000613997342 1192602673 /nfs/dbraw/zinc/60/26/73/1192602673.db2.gz WUKPCUWYYZUZPQ-IYBDPMFKSA-N 2 2 389.475 0.060 20 0 GCADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000418660403 1192624913 /nfs/dbraw/zinc/62/49/13/1192624913.db2.gz YPKGXDYPUKXJCG-RDJZCZTQSA-N 2 2 377.489 0.076 20 0 GCADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000418660403 1192624916 /nfs/dbraw/zinc/62/49/16/1192624916.db2.gz YPKGXDYPUKXJCG-RDJZCZTQSA-N 2 2 377.489 0.076 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418823703 1192656115 /nfs/dbraw/zinc/65/61/15/1192656115.db2.gz CGYDRQNFSUDQIJ-YTQUADARSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418823703 1192656118 /nfs/dbraw/zinc/65/61/18/1192656118.db2.gz CGYDRQNFSUDQIJ-YTQUADARSA-N 2 2 388.512 0.589 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824906 1192657132 /nfs/dbraw/zinc/65/71/32/1192657132.db2.gz DOEDZGZJGJQBOW-RTBURBONSA-N 2 2 388.512 0.604 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824906 1192657133 /nfs/dbraw/zinc/65/71/33/1192657133.db2.gz DOEDZGZJGJQBOW-RTBURBONSA-N 2 2 388.512 0.604 20 0 GCADLP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827844 1192657332 /nfs/dbraw/zinc/65/73/32/1192657332.db2.gz HIMPOOJYKUDHNQ-UXHICEINSA-N 2 2 396.491 0.820 20 0 GCADLP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827844 1192657337 /nfs/dbraw/zinc/65/73/37/1192657337.db2.gz HIMPOOJYKUDHNQ-UXHICEINSA-N 2 2 396.491 0.820 20 0 GCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418826520 1192657700 /nfs/dbraw/zinc/65/77/00/1192657700.db2.gz GAXBGZPUEITCNS-IEBWSBKVSA-N 2 2 388.512 0.510 20 0 GCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418826520 1192657703 /nfs/dbraw/zinc/65/77/03/1192657703.db2.gz GAXBGZPUEITCNS-IEBWSBKVSA-N 2 2 388.512 0.510 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418836553 1192658454 /nfs/dbraw/zinc/65/84/54/1192658454.db2.gz RLPBGKOZENGDBS-CEXWTWQISA-N 2 2 386.496 0.357 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418836553 1192658457 /nfs/dbraw/zinc/65/84/57/1192658457.db2.gz RLPBGKOZENGDBS-CEXWTWQISA-N 2 2 386.496 0.357 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418830977 1192658607 /nfs/dbraw/zinc/65/86/07/1192658607.db2.gz KAZORMPVURGKHG-QZTJIDSGSA-N 2 2 376.501 0.493 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418830977 1192658612 /nfs/dbraw/zinc/65/86/12/1192658612.db2.gz KAZORMPVURGKHG-QZTJIDSGSA-N 2 2 376.501 0.493 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418834999 1192660467 /nfs/dbraw/zinc/66/04/67/1192660467.db2.gz PEMXXUUDLUKKTN-GBESFXJTSA-N 2 2 388.512 0.637 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418834999 1192660470 /nfs/dbraw/zinc/66/04/70/1192660470.db2.gz PEMXXUUDLUKKTN-GBESFXJTSA-N 2 2 388.512 0.637 20 0 GCADLP CC1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000418837407 1192662491 /nfs/dbraw/zinc/66/24/91/1192662491.db2.gz SUEPEBGZZPEKFC-GOSISDBHSA-N 2 2 388.512 0.510 20 0 GCADLP CC1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000418837407 1192662495 /nfs/dbraw/zinc/66/24/95/1192662495.db2.gz SUEPEBGZZPEKFC-GOSISDBHSA-N 2 2 388.512 0.510 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]1C[NH3+] ZINC000418840936 1192663408 /nfs/dbraw/zinc/66/34/08/1192663408.db2.gz YQCMAGIMAHHANT-NZSAHSFTSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]1C[NH3+] ZINC000418840936 1192663412 /nfs/dbraw/zinc/66/34/12/1192663412.db2.gz YQCMAGIMAHHANT-NZSAHSFTSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418841904 1192663424 /nfs/dbraw/zinc/66/34/24/1192663424.db2.gz ZGKDIJCHEOSSJZ-HOTGVXAUSA-N 2 2 396.532 0.367 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C[NH3+] ZINC000418840935 1192663538 /nfs/dbraw/zinc/66/35/38/1192663538.db2.gz YQCMAGIMAHHANT-NEWSRXKRSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C[NH3+] ZINC000418840935 1192663543 /nfs/dbraw/zinc/66/35/43/1192663543.db2.gz YQCMAGIMAHHANT-NEWSRXKRSA-N 2 2 388.512 0.589 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1Cl ZINC000418872691 1192673245 /nfs/dbraw/zinc/67/32/45/1192673245.db2.gz GSKGXJHLZIHWBG-CJNGLKHVSA-N 2 2 382.892 0.554 20 0 GCADLP Cc1cc(C)c(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c[nH+]1 ZINC000418890758 1192681141 /nfs/dbraw/zinc/68/11/41/1192681141.db2.gz SGASBADXLOMSNI-MRXNPFEDSA-N 2 2 375.473 0.161 20 0 GCADLP CCCN(C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000418907070 1192685664 /nfs/dbraw/zinc/68/56/64/1192685664.db2.gz GCILCWXUTPRBIH-IBGZPJMESA-N 2 2 388.512 0.736 20 0 GCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418917225 1192688266 /nfs/dbraw/zinc/68/82/66/1192688266.db2.gz SVUNQHMBIXAMGL-MOPGFXCFSA-N 2 2 386.496 0.203 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000663831439 1192695078 /nfs/dbraw/zinc/69/50/78/1192695078.db2.gz SDIKJOVFWPBWPO-IRXDYDNUSA-N 2 2 390.532 0.742 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000663831439 1192695081 /nfs/dbraw/zinc/69/50/81/1192695081.db2.gz SDIKJOVFWPBWPO-IRXDYDNUSA-N 2 2 390.532 0.742 20 0 GCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@@H]21 ZINC000418945516 1192698453 /nfs/dbraw/zinc/69/84/53/1192698453.db2.gz PRQQZCKNTDEKRW-CWRNSKLLSA-N 2 2 376.526 0.808 20 0 GCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@@H]21 ZINC000418945516 1192698456 /nfs/dbraw/zinc/69/84/56/1192698456.db2.gz PRQQZCKNTDEKRW-CWRNSKLLSA-N 2 2 376.526 0.808 20 0 GCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCCC1 ZINC000418972884 1192706735 /nfs/dbraw/zinc/70/67/35/1192706735.db2.gz CUSNAQOFWOIRJD-QGZVFWFLSA-N 2 2 396.532 0.008 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419086994 1192784026 /nfs/dbraw/zinc/78/40/26/1192784026.db2.gz PBCVYGUYVLFCOL-BARDWOONSA-N 2 2 384.521 0.220 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419086994 1192784028 /nfs/dbraw/zinc/78/40/28/1192784028.db2.gz PBCVYGUYVLFCOL-BARDWOONSA-N 2 2 384.521 0.220 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000419122756 1192795735 /nfs/dbraw/zinc/79/57/35/1192795735.db2.gz ULVSFBDJGHEUON-MOPGFXCFSA-N 2 2 394.560 0.840 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000419124579 1192796014 /nfs/dbraw/zinc/79/60/14/1192796014.db2.gz XUTOHQQTUNZKPN-ROUUACIJSA-N 2 2 382.549 0.873 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000419117278 1192801597 /nfs/dbraw/zinc/80/15/97/1192801597.db2.gz MCFAMEYOKHTIMK-ZWKOTPCHSA-N 2 2 380.533 0.450 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419136392 1192808387 /nfs/dbraw/zinc/80/83/87/1192808387.db2.gz OZOVNGPSMLRSJA-INIZCTEOSA-N 2 2 390.532 0.152 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419149254 1192810216 /nfs/dbraw/zinc/81/02/16/1192810216.db2.gz KYSXONXHGULLRF-SFHVURJKSA-N 2 2 392.500 0.113 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419140002 1192812374 /nfs/dbraw/zinc/81/23/74/1192812374.db2.gz VGTHHEFZVZNADV-DLBZAZTESA-N 2 2 390.532 0.342 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000047946507 1192863552 /nfs/dbraw/zinc/86/35/52/1192863552.db2.gz OXLVXMXCDUQVGW-LJQANCHMSA-N 2 2 389.544 0.824 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)CC[N@@H+]1C ZINC000410731056 1192896809 /nfs/dbraw/zinc/89/68/09/1192896809.db2.gz FDKPHQREWINHDM-AEFFLSMTSA-N 2 2 380.533 0.497 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)CC[N@H+]1C ZINC000410731056 1192896812 /nfs/dbraw/zinc/89/68/12/1192896812.db2.gz FDKPHQREWINHDM-AEFFLSMTSA-N 2 2 380.533 0.497 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC[NH+]1C ZINC000410731056 1192896818 /nfs/dbraw/zinc/89/68/18/1192896818.db2.gz FDKPHQREWINHDM-AEFFLSMTSA-N 2 2 380.533 0.497 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC[NH+]1C ZINC000410731056 1192896822 /nfs/dbraw/zinc/89/68/22/1192896822.db2.gz FDKPHQREWINHDM-AEFFLSMTSA-N 2 2 380.533 0.497 20 0 GCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC000410774812 1192900526 /nfs/dbraw/zinc/90/05/26/1192900526.db2.gz JASMIPANEFVIIM-MSOLQXFVSA-N 2 2 382.549 0.743 20 0 GCADLP COc1ccc(COC[C@H](O)C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1OC ZINC000051760438 1192908146 /nfs/dbraw/zinc/90/81/46/1192908146.db2.gz MEMZKSRBWASICE-QGZVFWFLSA-N 2 2 395.500 0.287 20 0 GCADLP CN(CCC(N)=O)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410896435 1192914685 /nfs/dbraw/zinc/91/46/85/1192914685.db2.gz JUIKSWZEBUAIEW-DLBZAZTESA-N 2 2 395.548 0.116 20 0 GCADLP CN(CCC(N)=O)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410896435 1192914688 /nfs/dbraw/zinc/91/46/88/1192914688.db2.gz JUIKSWZEBUAIEW-DLBZAZTESA-N 2 2 395.548 0.116 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H](C)C1 ZINC000410939258 1192918028 /nfs/dbraw/zinc/91/80/28/1192918028.db2.gz SEMDESZCVJAIFX-INIZCTEOSA-N 2 2 394.516 0.169 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H](C)C1 ZINC000410939258 1192918031 /nfs/dbraw/zinc/91/80/31/1192918031.db2.gz SEMDESZCVJAIFX-INIZCTEOSA-N 2 2 394.516 0.169 20 0 GCADLP CNS(=O)(=O)C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274579598 1184109389 /nfs/dbraw/zinc/10/93/89/1184109389.db2.gz HFHAMBFAJLEQNJ-KRWDZBQOSA-N 2 2 382.530 0.419 20 0 GCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000579728087 1184115652 /nfs/dbraw/zinc/11/56/52/1184115652.db2.gz GFBFMUOYKASPFN-MRXNPFEDSA-N 2 2 390.532 0.268 20 0 GCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000579728087 1184115654 /nfs/dbraw/zinc/11/56/54/1184115654.db2.gz GFBFMUOYKASPFN-MRXNPFEDSA-N 2 2 390.532 0.268 20 0 GCADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000579744054 1184125418 /nfs/dbraw/zinc/12/54/18/1184125418.db2.gz KUNNDAIGTKNOTD-NXOAAHMSSA-N 2 2 378.521 0.547 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000643543060 1184137891 /nfs/dbraw/zinc/13/78/91/1184137891.db2.gz NZVVFBIXRDYQJQ-XGXHKWSGSA-N 3 2 393.576 0.588 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000643543060 1184137898 /nfs/dbraw/zinc/13/78/98/1184137898.db2.gz NZVVFBIXRDYQJQ-XGXHKWSGSA-N 3 2 393.576 0.588 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000654781708 1184139112 /nfs/dbraw/zinc/13/91/12/1184139112.db2.gz OQBUGWVUHICXQM-UHFFFAOYSA-N 2 2 388.578 0.533 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000654781708 1184139116 /nfs/dbraw/zinc/13/91/16/1184139116.db2.gz OQBUGWVUHICXQM-UHFFFAOYSA-N 2 2 388.578 0.533 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688732 1184186155 /nfs/dbraw/zinc/18/61/55/1184186155.db2.gz ZKETVMLRGCYSIK-AEFFLSMTSA-N 2 2 396.557 0.667 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688732 1184186159 /nfs/dbraw/zinc/18/61/59/1184186159.db2.gz ZKETVMLRGCYSIK-AEFFLSMTSA-N 2 2 396.557 0.667 20 0 GCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000109171287 1184335945 /nfs/dbraw/zinc/33/59/45/1184335945.db2.gz FBAIWYKIRXCSRL-HXUWFJFHSA-N 3 2 395.592 0.937 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000655274165 1184347076 /nfs/dbraw/zinc/34/70/76/1184347076.db2.gz YINRBZNTZRYWKF-QGZVFWFLSA-N 2 2 380.533 0.500 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)CC1 ZINC000275203699 1184551064 /nfs/dbraw/zinc/55/10/64/1184551064.db2.gz GSSGMLNEMCPLNZ-UHFFFAOYSA-N 2 2 387.528 0.085 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000275251009 1184565268 /nfs/dbraw/zinc/56/52/68/1184565268.db2.gz NCLJRDRBNYNFDW-UHFFFAOYSA-N 2 2 387.484 0.177 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000275251009 1184565273 /nfs/dbraw/zinc/56/52/73/1184565273.db2.gz NCLJRDRBNYNFDW-UHFFFAOYSA-N 2 2 387.484 0.177 20 0 GCADLP CS(=O)(=O)c1nc2c(c(N3CCC(n4cc[nH+]c4)CC3)n1)CC[NH2+]CC2 ZINC001167126570 1184566390 /nfs/dbraw/zinc/56/63/90/1184566390.db2.gz BCSHTEWZJQDRGO-UHFFFAOYSA-N 2 2 376.486 0.606 20 0 GCADLP C[C@@H]1C[C@H](C)[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000328638440 1184577312 /nfs/dbraw/zinc/57/73/12/1184577312.db2.gz BMZGXPUVZZNOTG-FRQCXROJSA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[C@H](C)[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000328638432 1184577480 /nfs/dbraw/zinc/57/74/80/1184577480.db2.gz BMZGXPUVZZNOTG-FCEWJHQRSA-N 2 2 380.533 0.497 20 0 GCADLP COCCC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000471271029 1184600604 /nfs/dbraw/zinc/60/06/04/1184600604.db2.gz ZDOAEQZHMDPRTR-UHFFFAOYSA-N 2 2 394.560 0.890 20 0 GCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000275385038 1184646213 /nfs/dbraw/zinc/64/62/13/1184646213.db2.gz XANHLRRMLYKSIY-HNNXBMFYSA-N 2 2 392.504 0.003 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000430407283 1184675240 /nfs/dbraw/zinc/67/52/40/1184675240.db2.gz IGXWFYRMIBUCQZ-NQIIRXRSSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000430407283 1184675243 /nfs/dbraw/zinc/67/52/43/1184675243.db2.gz IGXWFYRMIBUCQZ-NQIIRXRSSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000430407283 1184675246 /nfs/dbraw/zinc/67/52/46/1184675246.db2.gz IGXWFYRMIBUCQZ-NQIIRXRSSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000430407283 1184675249 /nfs/dbraw/zinc/67/52/49/1184675249.db2.gz IGXWFYRMIBUCQZ-NQIIRXRSSA-N 2 2 390.528 0.986 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c2)CC1 ZINC000275456544 1184675451 /nfs/dbraw/zinc/67/54/51/1184675451.db2.gz MHMCJNRLGRFWRH-OAHLLOKOSA-N 2 2 389.500 0.356 20 0 GCADLP CN1CCC2(CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)C1=O ZINC000683553460 1184764701 /nfs/dbraw/zinc/76/47/01/1184764701.db2.gz OBPLAHUKWWHJQS-MRXNPFEDSA-N 2 2 377.533 0.809 20 0 GCADLP CN1CCC2(CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)C1=O ZINC000683553460 1184764708 /nfs/dbraw/zinc/76/47/08/1184764708.db2.gz OBPLAHUKWWHJQS-MRXNPFEDSA-N 2 2 377.533 0.809 20 0 GCADLP CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000275638411 1184847561 /nfs/dbraw/zinc/84/75/61/1184847561.db2.gz LLKMABVCFNGIHX-UHFFFAOYSA-N 2 2 389.500 0.357 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000246369314 1184855808 /nfs/dbraw/zinc/85/58/08/1184855808.db2.gz HFXRHCSRZKSNPQ-ROUUACIJSA-N 2 2 389.548 0.970 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000246369314 1184855812 /nfs/dbraw/zinc/85/58/12/1184855812.db2.gz HFXRHCSRZKSNPQ-ROUUACIJSA-N 2 2 389.548 0.970 20 0 GCADLP COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000683699540 1184908772 /nfs/dbraw/zinc/90/87/72/1184908772.db2.gz MMFJHQQMBJWDER-JENIJYKNSA-N 2 2 398.548 0.210 20 0 GCADLP COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000683699540 1184908775 /nfs/dbraw/zinc/90/87/75/1184908775.db2.gz MMFJHQQMBJWDER-JENIJYKNSA-N 2 2 398.548 0.210 20 0 GCADLP COCCO[C@@H]1C[C@@H](CO)CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000683699543 1184908873 /nfs/dbraw/zinc/90/88/73/1184908873.db2.gz MMFJHQQMBJWDER-ZIFCJYIRSA-N 2 2 398.548 0.210 20 0 GCADLP COCCO[C@@H]1C[C@@H](CO)CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000683699543 1184908876 /nfs/dbraw/zinc/90/88/76/1184908876.db2.gz MMFJHQQMBJWDER-ZIFCJYIRSA-N 2 2 398.548 0.210 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000246384542 1184927383 /nfs/dbraw/zinc/92/73/83/1184927383.db2.gz HVXALXBUZANPKN-QRVBRYPASA-N 2 2 381.565 0.907 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000246384542 1184927387 /nfs/dbraw/zinc/92/73/87/1184927387.db2.gz HVXALXBUZANPKN-QRVBRYPASA-N 2 2 381.565 0.907 20 0 GCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000152268518 1184980281 /nfs/dbraw/zinc/98/02/81/1184980281.db2.gz SSSCFFIRVVIGSD-MJGOQNOKSA-N 2 2 375.517 0.699 20 0 GCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000152268518 1184980285 /nfs/dbraw/zinc/98/02/85/1184980285.db2.gz SSSCFFIRVVIGSD-MJGOQNOKSA-N 2 2 375.517 0.699 20 0 GCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000152268419 1184980516 /nfs/dbraw/zinc/98/05/16/1184980516.db2.gz SSSCFFIRVVIGSD-IEBWSBKVSA-N 2 2 375.517 0.699 20 0 GCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000152268419 1184980518 /nfs/dbraw/zinc/98/05/18/1184980518.db2.gz SSSCFFIRVVIGSD-IEBWSBKVSA-N 2 2 375.517 0.699 20 0 GCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656062588 1184995998 /nfs/dbraw/zinc/99/59/98/1184995998.db2.gz OCQRGRCEDHWIFQ-ZACQAIPSSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656062588 1184996001 /nfs/dbraw/zinc/99/60/01/1184996001.db2.gz OCQRGRCEDHWIFQ-ZACQAIPSSA-N 2 2 380.533 0.687 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000656080076 1185020080 /nfs/dbraw/zinc/02/00/80/1185020080.db2.gz XEQXMADDCAKYIJ-KRWDZBQOSA-N 2 2 380.533 0.500 20 0 GCADLP CN1CCN(c2cc(N(Cc3ccccc3)C3(C[NH3+])COC3)nc[nH+]2)CC1=O ZINC001167367988 1185119672 /nfs/dbraw/zinc/11/96/72/1185119672.db2.gz HGDXDCPYQRJDFS-UHFFFAOYSA-N 2 2 382.468 0.489 20 0 GCADLP CC(C)CC[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580304482 1185147684 /nfs/dbraw/zinc/14/76/84/1185147684.db2.gz IHCKFOAOYPSRLJ-QGZVFWFLSA-N 2 2 384.546 0.920 20 0 GCADLP COc1ccc(S(=O)(=O)N2CC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000656254706 1185281309 /nfs/dbraw/zinc/28/13/09/1185281309.db2.gz APEAPJLLUWYROM-QGZVFWFLSA-N 2 2 395.525 0.911 20 0 GCADLP C[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C[NH+]1CCOCC1 ZINC000155802209 1185289976 /nfs/dbraw/zinc/28/99/76/1185289976.db2.gz LOEYWRBIADFIII-KRWDZBQOSA-N 2 2 390.532 0.601 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000275932845 1185314276 /nfs/dbraw/zinc/31/42/76/1185314276.db2.gz OBTFUAOQNNUJIS-OAHLLOKOSA-N 2 2 390.484 0.783 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000275932845 1185314281 /nfs/dbraw/zinc/31/42/81/1185314281.db2.gz OBTFUAOQNNUJIS-OAHLLOKOSA-N 2 2 390.484 0.783 20 0 GCADLP c1ncc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000580755126 1185345068 /nfs/dbraw/zinc/34/50/68/1185345068.db2.gz HRZZFSXRVMDPSY-SFTDATJTSA-N 2 2 387.528 0.114 20 0 GCADLP c1ncc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000580755126 1185345075 /nfs/dbraw/zinc/34/50/75/1185345075.db2.gz HRZZFSXRVMDPSY-SFTDATJTSA-N 2 2 387.528 0.114 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)CN1CC[NH+](C)CC1 ZINC000656299955 1185365942 /nfs/dbraw/zinc/36/59/42/1185365942.db2.gz FZGUJXYBQONPQO-FGTMMUONSA-N 2 2 379.549 0.119 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)CN1CC[NH+](C)CC1 ZINC000656299955 1185365951 /nfs/dbraw/zinc/36/59/51/1185365951.db2.gz FZGUJXYBQONPQO-FGTMMUONSA-N 2 2 379.549 0.119 20 0 GCADLP CN(C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656305365 1185379760 /nfs/dbraw/zinc/37/97/60/1185379760.db2.gz SLAIRBQZMYCQHW-FGTMMUONSA-N 2 2 377.533 0.950 20 0 GCADLP CN(C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656305365 1185379765 /nfs/dbraw/zinc/37/97/65/1185379765.db2.gz SLAIRBQZMYCQHW-FGTMMUONSA-N 2 2 377.533 0.950 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000656316411 1185404102 /nfs/dbraw/zinc/40/41/02/1185404102.db2.gz RNKCDXHTVSOWFW-MKXGPGLRSA-N 2 2 392.544 0.879 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343687 1185437416 /nfs/dbraw/zinc/43/74/16/1185437416.db2.gz OVGJKTKDNHQDMB-ILOCAZANSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343687 1185437420 /nfs/dbraw/zinc/43/74/20/1185437420.db2.gz OVGJKTKDNHQDMB-ILOCAZANSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343687 1185437424 /nfs/dbraw/zinc/43/74/24/1185437424.db2.gz OVGJKTKDNHQDMB-ILOCAZANSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343687 1185437427 /nfs/dbraw/zinc/43/74/27/1185437427.db2.gz OVGJKTKDNHQDMB-ILOCAZANSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342940 1185438559 /nfs/dbraw/zinc/43/85/59/1185438559.db2.gz IIUXQASCKWODPN-FLXSYLCISA-N 2 2 382.549 0.979 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342940 1185438563 /nfs/dbraw/zinc/43/85/63/1185438563.db2.gz IIUXQASCKWODPN-FLXSYLCISA-N 2 2 382.549 0.979 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342940 1185438565 /nfs/dbraw/zinc/43/85/65/1185438565.db2.gz IIUXQASCKWODPN-FLXSYLCISA-N 2 2 382.549 0.979 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342940 1185438568 /nfs/dbraw/zinc/43/85/68/1185438568.db2.gz IIUXQASCKWODPN-FLXSYLCISA-N 2 2 382.549 0.979 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000656356512 1185457209 /nfs/dbraw/zinc/45/72/09/1185457209.db2.gz FECLFVDSUDCEGI-XWTMOSNGSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000656356512 1185457210 /nfs/dbraw/zinc/45/72/10/1185457210.db2.gz FECLFVDSUDCEGI-XWTMOSNGSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000656356512 1185457214 /nfs/dbraw/zinc/45/72/14/1185457214.db2.gz FECLFVDSUDCEGI-XWTMOSNGSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000656356512 1185457218 /nfs/dbraw/zinc/45/72/18/1185457218.db2.gz FECLFVDSUDCEGI-XWTMOSNGSA-N 2 2 380.533 0.687 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356503 1185457406 /nfs/dbraw/zinc/45/74/06/1185457406.db2.gz FDOLOTPJNYJNLY-DLBZAZTESA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356503 1185457408 /nfs/dbraw/zinc/45/74/08/1185457408.db2.gz FDOLOTPJNYJNLY-DLBZAZTESA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356503 1185457411 /nfs/dbraw/zinc/45/74/11/1185457411.db2.gz FDOLOTPJNYJNLY-DLBZAZTESA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356503 1185457413 /nfs/dbraw/zinc/45/74/13/1185457413.db2.gz FDOLOTPJNYJNLY-DLBZAZTESA-N 2 2 380.533 0.689 20 0 GCADLP CN(C(=O)[C@H]1CCCC[C@@]1(C)[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152423 1185504194 /nfs/dbraw/zinc/50/41/94/1185504194.db2.gz BZEVKIGOFGWBSG-WIYYLYMNSA-N 3 2 393.576 0.591 20 0 GCADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CC1 ZINC000430548113 1185570709 /nfs/dbraw/zinc/57/07/09/1185570709.db2.gz GDRJWLHOERWXDD-LJQANCHMSA-N 2 2 394.541 0.378 20 0 GCADLP C[C@@H]1CCCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H]1C[NH3+] ZINC000430564028 1185607631 /nfs/dbraw/zinc/60/76/31/1185607631.db2.gz KXDHVTQMIHFMGC-ZBFHGGJFSA-N 2 2 386.504 0.071 20 0 GCADLP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001104346441 1185619483 /nfs/dbraw/zinc/61/94/83/1185619483.db2.gz AZFWAAJUXRIGKU-KLHDSHLOSA-N 2 2 379.505 0.925 20 0 GCADLP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001104346441 1185619484 /nfs/dbraw/zinc/61/94/84/1185619484.db2.gz AZFWAAJUXRIGKU-KLHDSHLOSA-N 2 2 379.505 0.925 20 0 GCADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000430582184 1185642183 /nfs/dbraw/zinc/64/21/83/1185642183.db2.gz JNZOETFZYGZJJK-GOSISDBHSA-N 2 2 396.513 0.363 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605403130 1185687603 /nfs/dbraw/zinc/68/76/03/1185687603.db2.gz SAUPRIPDPXQXDP-OAQYLSRUSA-N 2 2 399.495 0.791 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605403130 1185687609 /nfs/dbraw/zinc/68/76/09/1185687609.db2.gz SAUPRIPDPXQXDP-OAQYLSRUSA-N 2 2 399.495 0.791 20 0 GCADLP CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000581476596 1185710022 /nfs/dbraw/zinc/71/00/22/1185710022.db2.gz YTSXZDSNKYKUDL-UHFFFAOYSA-N 2 2 375.517 0.877 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000581537590 1185750073 /nfs/dbraw/zinc/75/00/73/1185750073.db2.gz OXOVIKHNUVQIRO-RBUKOAKNSA-N 2 2 395.511 0.653 20 0 GCADLP C[C@@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC[NH2+]1 ZINC000510435037 1185779068 /nfs/dbraw/zinc/77/90/68/1185779068.db2.gz RBCYFFZNLFEOKZ-SFHVURJKSA-N 2 2 395.529 0.182 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCC[NH2+]CC3)CC2)cc1OC ZINC000430620321 1185796920 /nfs/dbraw/zinc/79/69/20/1185796920.db2.gz BLNYXSAHKHWDMS-UHFFFAOYSA-N 2 2 390.528 0.952 20 0 GCADLP C[NH2+][C@H]1CCN(CC(=O)N2CC[NH+](Cc3cc(OC)c(OC)cc3C)CC2)C1 ZINC000430641388 1185849819 /nfs/dbraw/zinc/84/98/19/1185849819.db2.gz SOXQWLSPIOILDR-SFHVURJKSA-N 2 2 390.528 0.950 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000051202174 1185875042 /nfs/dbraw/zinc/87/50/42/1185875042.db2.gz OVUBYKLQMXZSFR-MRXNPFEDSA-N 2 2 396.532 0.368 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000051202174 1185875047 /nfs/dbraw/zinc/87/50/47/1185875047.db2.gz OVUBYKLQMXZSFR-MRXNPFEDSA-N 2 2 396.532 0.368 20 0 GCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891466054 1185880560 /nfs/dbraw/zinc/88/05/60/1185880560.db2.gz XWKQKUQJDQGZNZ-OXQOHEQNSA-N 2 2 386.500 0.704 20 0 GCADLP O=C(CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000891466076 1185880780 /nfs/dbraw/zinc/88/07/80/1185880780.db2.gz YJKOWQBDQNMSCU-DLBZAZTESA-N 2 2 386.500 0.656 20 0 GCADLP O=C(NCC[NH+]1CCC(O)CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891506013 1185898981 /nfs/dbraw/zinc/89/89/81/1185898981.db2.gz SNYBJIDBFNBHRO-IBGZPJMESA-N 2 2 376.501 0.643 20 0 GCADLP O=C(NCC[NH+]1CCC(O)CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891506013 1185898983 /nfs/dbraw/zinc/89/89/83/1185898983.db2.gz SNYBJIDBFNBHRO-IBGZPJMESA-N 2 2 376.501 0.643 20 0 GCADLP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000891528251 1185905487 /nfs/dbraw/zinc/90/54/87/1185905487.db2.gz NVNWXRSAPLXVIY-QFBILLFUSA-N 2 2 375.517 0.987 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000891537901 1185909631 /nfs/dbraw/zinc/90/96/31/1185909631.db2.gz NFBJJUJJXQFASU-UHFFFAOYSA-N 2 2 394.541 0.641 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000891558980 1185918762 /nfs/dbraw/zinc/91/87/62/1185918762.db2.gz CKJRYCSOHYJYTF-IPYPFGDCSA-N 3 2 377.455 0.934 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000891558980 1185918764 /nfs/dbraw/zinc/91/87/64/1185918764.db2.gz CKJRYCSOHYJYTF-IPYPFGDCSA-N 3 2 377.455 0.934 20 0 GCADLP O=S(=O)(c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1)N1CCOCC1 ZINC000581937755 1185997045 /nfs/dbraw/zinc/99/70/45/1185997045.db2.gz MKOGHROESVIJQK-MOPGFXCFSA-N 2 2 395.525 0.564 20 0 GCADLP O=S(=O)(c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1)N1CCOCC1 ZINC000581937757 1185997144 /nfs/dbraw/zinc/99/71/44/1185997144.db2.gz MKOGHROESVIJQK-RBUKOAKNSA-N 2 2 395.525 0.564 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430930892 1186055978 /nfs/dbraw/zinc/05/59/78/1186055978.db2.gz AFEQEDOZOKLNMQ-GJZGRUSLSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430930892 1186055987 /nfs/dbraw/zinc/05/59/87/1186055987.db2.gz AFEQEDOZOKLNMQ-GJZGRUSLSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430939929 1186060345 /nfs/dbraw/zinc/06/03/45/1186060345.db2.gz MYRHAXFGJUETOT-FUHWJXTLSA-N 2 2 394.541 0.330 20 0 GCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430939929 1186060348 /nfs/dbraw/zinc/06/03/48/1186060348.db2.gz MYRHAXFGJUETOT-FUHWJXTLSA-N 2 2 394.541 0.330 20 0 GCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC[C@@H]1[NH3+] ZINC000430963912 1186071383 /nfs/dbraw/zinc/07/13/83/1186071383.db2.gz XBFIMOUGWBPIHO-YOEHRIQHSA-N 2 2 398.504 0.328 20 0 GCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC[C@@H]1[NH3+] ZINC000430963912 1186071388 /nfs/dbraw/zinc/07/13/88/1186071388.db2.gz XBFIMOUGWBPIHO-YOEHRIQHSA-N 2 2 398.504 0.328 20 0 GCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431030273 1186107756 /nfs/dbraw/zinc/10/77/56/1186107756.db2.gz KZKABDDDWGOUDY-GOSISDBHSA-N 2 2 384.484 0.814 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[NH2+]C[C@H]1CCCO1)CC2 ZINC000431057228 1186113822 /nfs/dbraw/zinc/11/38/22/1186113822.db2.gz NSEAEXHEODPOEF-QGZVFWFLSA-N 2 2 377.485 0.947 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[NH2+]C[C@H]1CCCO1)CC2 ZINC000431057228 1186113826 /nfs/dbraw/zinc/11/38/26/1186113826.db2.gz NSEAEXHEODPOEF-QGZVFWFLSA-N 2 2 377.485 0.947 20 0 GCADLP Cc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000431059103 1186114515 /nfs/dbraw/zinc/11/45/15/1186114515.db2.gz AYKXAQDMZJIEOW-UHFFFAOYSA-N 2 2 387.484 0.790 20 0 GCADLP CCn1ncnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001087181521 1186117181 /nfs/dbraw/zinc/11/71/81/1186117181.db2.gz VZPNSLXZBRYTPP-WCXIOVBPSA-N 2 2 378.521 0.734 20 0 GCADLP CCn1ncnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001087181521 1186117189 /nfs/dbraw/zinc/11/71/89/1186117189.db2.gz VZPNSLXZBRYTPP-WCXIOVBPSA-N 2 2 378.521 0.734 20 0 GCADLP CCC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C1CC[NH2+]CC1 ZINC000431074538 1186122321 /nfs/dbraw/zinc/12/23/21/1186122321.db2.gz VMVOGJNDEJPARK-UHFFFAOYSA-N 2 2 384.502 0.745 20 0 GCADLP CCC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C1CC[NH2+]CC1 ZINC000431074538 1186122323 /nfs/dbraw/zinc/12/23/23/1186122323.db2.gz VMVOGJNDEJPARK-UHFFFAOYSA-N 2 2 384.502 0.745 20 0 GCADLP Cn1nc2c(c1C[NH+]1CCC(CC(=O)N3CC[NH+](C)CC3)CC1)COCC2 ZINC000891949828 1186183983 /nfs/dbraw/zinc/18/39/83/1186183983.db2.gz ZGUQHWZLJDYYEI-UHFFFAOYSA-N 2 2 375.517 0.869 20 0 GCADLP C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C[NH2+]CCCO)C1 ZINC001691364258 1186194398 /nfs/dbraw/zinc/19/43/98/1186194398.db2.gz ZBILZPREIAPQDU-HCXYKTFWSA-N 2 2 383.533 0.465 20 0 GCADLP CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000934046084 1186226013 /nfs/dbraw/zinc/22/60/13/1186226013.db2.gz XWUZJJVRQUPSAW-IAGOWNOFSA-N 2 2 391.516 0.951 20 0 GCADLP CN(C(=O)c1cc(Cl)cn1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041405 1186375334 /nfs/dbraw/zinc/37/53/34/1186375334.db2.gz KPRAJVNSTWKKCX-UHFFFAOYSA-N 2 2 395.935 0.989 20 0 GCADLP O=C1C[C@@H]([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CN1CC[NH+]1CCOCC1 ZINC000657368486 1186468277 /nfs/dbraw/zinc/46/82/77/1186468277.db2.gz XMNGTRHWEQOBFE-UYAOXDASSA-N 2 2 389.496 0.877 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000582388046 1186512944 /nfs/dbraw/zinc/51/29/44/1186512944.db2.gz XMKRGNDRJIYDAX-IBGZPJMESA-N 2 2 397.589 0.875 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000582388046 1186512946 /nfs/dbraw/zinc/51/29/46/1186512946.db2.gz XMKRGNDRJIYDAX-IBGZPJMESA-N 2 2 397.589 0.875 20 0 GCADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657434725 1186537806 /nfs/dbraw/zinc/53/78/06/1186537806.db2.gz IASFSXXXVPHGHW-HXUWFJFHSA-N 2 2 383.452 0.373 20 0 GCADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657434725 1186537809 /nfs/dbraw/zinc/53/78/09/1186537809.db2.gz IASFSXXXVPHGHW-HXUWFJFHSA-N 2 2 383.452 0.373 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C[C@H](C)O1 ZINC000582479673 1186546838 /nfs/dbraw/zinc/54/68/38/1186546838.db2.gz RWBOGUTVODEPHS-JZXOWHBKSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C[C@H](C)O1 ZINC000582479673 1186546841 /nfs/dbraw/zinc/54/68/41/1186546841.db2.gz RWBOGUTVODEPHS-JZXOWHBKSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@H](C)O1 ZINC000582479673 1186546845 /nfs/dbraw/zinc/54/68/45/1186546845.db2.gz RWBOGUTVODEPHS-JZXOWHBKSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@H](C)O1 ZINC000582479673 1186546847 /nfs/dbraw/zinc/54/68/47/1186546847.db2.gz RWBOGUTVODEPHS-JZXOWHBKSA-N 2 2 380.533 0.687 20 0 GCADLP [NH3+]CCC1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000582732089 1186631248 /nfs/dbraw/zinc/63/12/48/1186631248.db2.gz NKODIXGQMSHABR-UHFFFAOYSA-N 2 2 387.528 0.512 20 0 GCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631146581 1186720402 /nfs/dbraw/zinc/72/04/02/1186720402.db2.gz FAOJQRWPTPIOLQ-KRWDZBQOSA-N 2 2 385.530 0.815 20 0 GCADLP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001104439922 1186769620 /nfs/dbraw/zinc/76/96/20/1186769620.db2.gz YOQWBRYMYNZRHH-MKXGPGLRSA-N 2 2 383.533 0.587 20 0 GCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000685080606 1186773165 /nfs/dbraw/zinc/77/31/65/1186773165.db2.gz JRTJBQXMROIEEF-RBUKOAKNSA-N 2 2 394.560 0.794 20 0 GCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000685080606 1186773167 /nfs/dbraw/zinc/77/31/67/1186773167.db2.gz JRTJBQXMROIEEF-RBUKOAKNSA-N 2 2 394.560 0.794 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892327865 1186783006 /nfs/dbraw/zinc/78/30/06/1186783006.db2.gz NFZOOYHXIHWPLY-UHFFFAOYSA-N 2 2 376.501 0.823 20 0 GCADLP CC[C@@H]1CN(c2nnc(C)n2CCC[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001744976340 1186791139 /nfs/dbraw/zinc/79/11/39/1186791139.db2.gz JXMXNNUTYAMFPU-MOPGFXCFSA-N 2 2 392.548 0.856 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657744394 1186803286 /nfs/dbraw/zinc/80/32/86/1186803286.db2.gz IWNJSJNFUGTBHT-KRWDZBQOSA-N 2 2 377.489 0.363 20 0 GCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000155221651 1186811759 /nfs/dbraw/zinc/81/17/59/1186811759.db2.gz MFHSMGWHWKMZMK-OAHLLOKOSA-N 2 2 387.488 0.598 20 0 GCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657745868 1186812275 /nfs/dbraw/zinc/81/22/75/1186812275.db2.gz SRLKTUVXVJHXKG-MSOLQXFVSA-N 2 2 380.533 0.642 20 0 GCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657745868 1186812278 /nfs/dbraw/zinc/81/22/78/1186812278.db2.gz SRLKTUVXVJHXKG-MSOLQXFVSA-N 2 2 380.533 0.642 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000155667071 1186822054 /nfs/dbraw/zinc/82/20/54/1186822054.db2.gz ZFISQPJNEBTTTH-LJQANCHMSA-N 2 2 389.544 0.636 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000155667071 1186822058 /nfs/dbraw/zinc/82/20/58/1186822058.db2.gz ZFISQPJNEBTTTH-LJQANCHMSA-N 2 2 389.544 0.636 20 0 GCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000126460629 1186838669 /nfs/dbraw/zinc/83/86/69/1186838669.db2.gz SAJUSLFKYBIISW-QUCCMNQESA-N 2 2 378.517 0.542 20 0 GCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000583371829 1186838683 /nfs/dbraw/zinc/83/86/83/1186838683.db2.gz XHHJNCIUIVQONT-LJQANCHMSA-N 2 2 389.544 0.757 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000583373197 1186839155 /nfs/dbraw/zinc/83/91/55/1186839155.db2.gz GVFPDMLAZZEJAN-OALUTQOASA-N 2 2 389.544 0.905 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000583373197 1186839159 /nfs/dbraw/zinc/83/91/59/1186839159.db2.gz GVFPDMLAZZEJAN-OALUTQOASA-N 2 2 389.544 0.905 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000583373196 1186839254 /nfs/dbraw/zinc/83/92/54/1186839254.db2.gz GVFPDMLAZZEJAN-MOPGFXCFSA-N 2 2 389.544 0.905 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000583373196 1186839258 /nfs/dbraw/zinc/83/92/58/1186839258.db2.gz GVFPDMLAZZEJAN-MOPGFXCFSA-N 2 2 389.544 0.905 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CCCCC1 ZINC000583430928 1186852995 /nfs/dbraw/zinc/85/29/95/1186852995.db2.gz IMJDKKDFKVGAGK-BZSNNMDCSA-N 2 2 380.533 0.770 20 0 GCADLP COCC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCCC1 ZINC000583549596 1186883989 /nfs/dbraw/zinc/88/39/89/1186883989.db2.gz IXBHBHQFZLBKJB-UHFFFAOYSA-N 2 2 394.560 0.890 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000583718975 1186926554 /nfs/dbraw/zinc/92/65/54/1186926554.db2.gz NUGSLBMLYOBTIS-JKSUJKDBSA-N 2 2 377.489 0.273 20 0 GCADLP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000583744714 1186930402 /nfs/dbraw/zinc/93/04/02/1186930402.db2.gz VIYVXNKYFFGASI-ROUUACIJSA-N 2 2 380.533 0.737 20 0 GCADLP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000583744714 1186930403 /nfs/dbraw/zinc/93/04/03/1186930403.db2.gz VIYVXNKYFFGASI-ROUUACIJSA-N 2 2 380.533 0.737 20 0 GCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000583856818 1186952872 /nfs/dbraw/zinc/95/28/72/1186952872.db2.gz YVRFVTLESCQBGE-KRWDZBQOSA-N 2 2 375.521 0.724 20 0 GCADLP COCCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000685236279 1186964542 /nfs/dbraw/zinc/96/45/42/1186964542.db2.gz ZMHJPOPVPDAZQR-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP COCCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000685236279 1186964547 /nfs/dbraw/zinc/96/45/47/1186964547.db2.gz ZMHJPOPVPDAZQR-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP COC(=O)[C@]1(NC[C@H](O)C[NH+]2CCOCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611795881 1186969652 /nfs/dbraw/zinc/96/96/52/1186969652.db2.gz MNLJPVVVWZHYPL-FPOVZHCZSA-N 2 2 391.512 0.477 20 0 GCADLP COC(=O)[C@]1(NC[C@H](O)C[NH+]2CCOCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611795881 1186969654 /nfs/dbraw/zinc/96/96/54/1186969654.db2.gz MNLJPVVVWZHYPL-FPOVZHCZSA-N 2 2 391.512 0.477 20 0 GCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000247882902 1186971272 /nfs/dbraw/zinc/97/12/72/1186971272.db2.gz ZOHHMYFQHKNHSM-CHWSQXEVSA-N 2 2 388.472 0.333 20 0 GCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000247882902 1186971276 /nfs/dbraw/zinc/97/12/76/1186971276.db2.gz ZOHHMYFQHKNHSM-CHWSQXEVSA-N 2 2 388.472 0.333 20 0 GCADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000127192199 1186983906 /nfs/dbraw/zinc/98/39/06/1186983906.db2.gz GZPNYYDCJUQVTB-QGZVFWFLSA-N 3 2 395.573 0.853 20 0 GCADLP CN1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000584221376 1187016903 /nfs/dbraw/zinc/01/69/03/1187016903.db2.gz XEDDIGNWDOTFPW-RTBURBONSA-N 2 2 375.517 0.214 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000248638356 1187029379 /nfs/dbraw/zinc/02/93/79/1187029379.db2.gz QUWNAFZJSSCJBO-IRXDYDNUSA-N 2 2 390.532 0.430 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000248638356 1187029383 /nfs/dbraw/zinc/02/93/83/1187029383.db2.gz QUWNAFZJSSCJBO-IRXDYDNUSA-N 2 2 390.532 0.430 20 0 GCADLP CCOCCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685332342 1187101441 /nfs/dbraw/zinc/10/14/41/1187101441.db2.gz UTJVFFZJMYXUTB-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP CCOCCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685332342 1187101444 /nfs/dbraw/zinc/10/14/44/1187101444.db2.gz UTJVFFZJMYXUTB-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341480 1187104704 /nfs/dbraw/zinc/10/47/04/1187104704.db2.gz MWQLKOVLIDZMLI-IKJBURDNSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341480 1187104709 /nfs/dbraw/zinc/10/47/09/1187104709.db2.gz MWQLKOVLIDZMLI-IKJBURDNSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685337027 1187104886 /nfs/dbraw/zinc/10/48/86/1187104886.db2.gz YFFOUZIVSIOOPT-FUHWJXTLSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337027 1187104890 /nfs/dbraw/zinc/10/48/90/1187104890.db2.gz YFFOUZIVSIOOPT-FUHWJXTLSA-N 2 2 380.533 0.546 20 0 GCADLP CCC(O)(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685344759 1187110417 /nfs/dbraw/zinc/11/04/17/1187110417.db2.gz HORAXMLBWLXWMY-KRWDZBQOSA-N 2 2 382.549 0.671 20 0 GCADLP CCC(O)(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685344759 1187110421 /nfs/dbraw/zinc/11/04/21/1187110421.db2.gz HORAXMLBWLXWMY-KRWDZBQOSA-N 2 2 382.549 0.671 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685356987 1187115058 /nfs/dbraw/zinc/11/50/58/1187115058.db2.gz VMCJCYVVOLCMGD-SJLPKXTDSA-N 2 2 392.544 0.831 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685356987 1187115060 /nfs/dbraw/zinc/11/50/60/1187115060.db2.gz VMCJCYVVOLCMGD-SJLPKXTDSA-N 2 2 392.544 0.831 20 0 GCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685359224 1187115702 /nfs/dbraw/zinc/11/57/02/1187115702.db2.gz BXNBCXQVNWKJIC-CEXWTWQISA-N 2 2 393.491 0.905 20 0 GCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685359224 1187115705 /nfs/dbraw/zinc/11/57/05/1187115705.db2.gz BXNBCXQVNWKJIC-CEXWTWQISA-N 2 2 393.491 0.905 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685362015 1187116583 /nfs/dbraw/zinc/11/65/83/1187116583.db2.gz QIUORKPTWFWNTM-INDMIFKZSA-N 2 2 392.544 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685362015 1187116585 /nfs/dbraw/zinc/11/65/85/1187116585.db2.gz QIUORKPTWFWNTM-INDMIFKZSA-N 2 2 392.544 0.687 20 0 GCADLP C[C@@H](C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000431577166 1187118466 /nfs/dbraw/zinc/11/84/66/1187118466.db2.gz WICVWXGLBHBGMX-INIZCTEOSA-N 2 2 381.565 0.365 20 0 GCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCNc3cccc[nH+]3)c2)CC1 ZINC000141566400 1187146682 /nfs/dbraw/zinc/14/66/82/1187146682.db2.gz QPXUDZPLBBRYNM-UHFFFAOYSA-N 2 2 396.495 0.996 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431615699 1187179660 /nfs/dbraw/zinc/17/96/60/1187179660.db2.gz ACCHQIQXAPDDBB-QGZVFWFLSA-N 2 2 396.580 0.158 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431615699 1187179665 /nfs/dbraw/zinc/17/96/65/1187179665.db2.gz ACCHQIQXAPDDBB-QGZVFWFLSA-N 2 2 396.580 0.158 20 0 GCADLP COCC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000685643308 1187192882 /nfs/dbraw/zinc/19/28/82/1187192882.db2.gz FVXWUXMNHGEDRH-QGZVFWFLSA-N 2 2 379.505 0.710 20 0 GCADLP COCC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000685643308 1187192883 /nfs/dbraw/zinc/19/28/83/1187192883.db2.gz FVXWUXMNHGEDRH-QGZVFWFLSA-N 2 2 379.505 0.710 20 0 GCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)ccn12 ZINC001023972140 1187203772 /nfs/dbraw/zinc/20/37/72/1187203772.db2.gz LQHBQAKQWBOEAA-MWQQHZPXSA-N 2 2 385.468 0.284 20 0 GCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)ccn12 ZINC001023972140 1187203776 /nfs/dbraw/zinc/20/37/76/1187203776.db2.gz LQHBQAKQWBOEAA-MWQQHZPXSA-N 2 2 385.468 0.284 20 0 GCADLP CC(C)(CNC(=O)CN1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000605576236 1187345049 /nfs/dbraw/zinc/34/50/49/1187345049.db2.gz BELXLSNEJRRFPI-UHFFFAOYSA-N 2 2 382.549 0.258 20 0 GCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000658780004 1187462177 /nfs/dbraw/zinc/46/21/77/1187462177.db2.gz ZJPYJWUFCXUJLR-GOSISDBHSA-N 2 2 380.533 0.642 20 0 GCADLP CC1CCC(NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000548921484 1187470064 /nfs/dbraw/zinc/47/00/64/1187470064.db2.gz IMEUVMGBIFGEDO-UHFFFAOYSA-N 2 2 393.576 0.463 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892498750 1187500478 /nfs/dbraw/zinc/50/04/78/1187500478.db2.gz MNMKOMOXHPSKRH-AWEZNQCLSA-N 2 2 386.504 0.973 20 0 GCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612481609 1187502772 /nfs/dbraw/zinc/50/27/72/1187502772.db2.gz DAAMHSVCPYEVRQ-OKZBNKHCSA-N 2 2 382.549 0.791 20 0 GCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612481609 1187502774 /nfs/dbraw/zinc/50/27/74/1187502774.db2.gz DAAMHSVCPYEVRQ-OKZBNKHCSA-N 2 2 382.549 0.791 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000658810661 1187533156 /nfs/dbraw/zinc/53/31/56/1187533156.db2.gz NEKXLOYIYZHUIQ-RTBURBONSA-N 2 2 392.544 0.787 20 0 GCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000570331904 1187573110 /nfs/dbraw/zinc/57/31/10/1187573110.db2.gz CUJXVALLVNQMRV-JKSUJKDBSA-N 2 2 392.500 0.256 20 0 GCADLP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000612780249 1187584879 /nfs/dbraw/zinc/58/48/79/1187584879.db2.gz GTJLQOZLDYTHOR-UHFFFAOYSA-N 2 2 385.512 0.968 20 0 GCADLP Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376092508 1187598689 /nfs/dbraw/zinc/59/86/89/1187598689.db2.gz FNVWNRHBFWWEHB-OXJNMPFZSA-N 2 2 376.501 0.192 20 0 GCADLP Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376092508 1187598695 /nfs/dbraw/zinc/59/86/95/1187598695.db2.gz FNVWNRHBFWWEHB-OXJNMPFZSA-N 2 2 376.501 0.192 20 0 GCADLP C[C@]1(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]C1 ZINC000612881348 1187611371 /nfs/dbraw/zinc/61/13/71/1187611371.db2.gz QODFFHLIGQIJBN-KXBFYZLASA-N 2 2 389.504 0.333 20 0 GCADLP C[C@]1(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]C1 ZINC000612881348 1187611378 /nfs/dbraw/zinc/61/13/78/1187611378.db2.gz QODFFHLIGQIJBN-KXBFYZLASA-N 2 2 389.504 0.333 20 0 GCADLP Cn1c[nH+]c(CCNC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000612909557 1187617141 /nfs/dbraw/zinc/61/71/41/1187617141.db2.gz WLAIZQQLLIZJIX-HNNXBMFYSA-N 2 2 386.504 0.685 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000413969412 1187618870 /nfs/dbraw/zinc/61/88/70/1187618870.db2.gz VBTQIJBHCFNKLW-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000413969412 1187618876 /nfs/dbraw/zinc/61/88/76/1187618876.db2.gz VBTQIJBHCFNKLW-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP [NH2+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCCC1 ZINC000066243088 1187623122 /nfs/dbraw/zinc/62/31/22/1187623122.db2.gz BFPLUZKQDJGOJD-UHFFFAOYSA-N 2 2 380.518 0.590 20 0 GCADLP CC[NH+](CC)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000613012061 1187636051 /nfs/dbraw/zinc/63/60/51/1187636051.db2.gz LASXEKJMSWNFPQ-DOTOQJQBSA-N 2 2 382.530 0.803 20 0 GCADLP CC(C)(CNC(=O)CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000613425370 1187747793 /nfs/dbraw/zinc/74/77/93/1187747793.db2.gz WMCWSJJGAQNJJZ-SFHVURJKSA-N 2 2 382.549 0.400 20 0 GCADLP CC(C)(CNC(=O)CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000613425370 1187747798 /nfs/dbraw/zinc/74/77/98/1187747798.db2.gz WMCWSJJGAQNJJZ-SFHVURJKSA-N 2 2 382.549 0.400 20 0 GCADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000376350834 1187783432 /nfs/dbraw/zinc/78/34/32/1187783432.db2.gz LQFVEALLGBDQIL-RDJZCZTQSA-N 2 2 386.562 0.764 20 0 GCADLP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000332880245 1187801405 /nfs/dbraw/zinc/80/14/05/1187801405.db2.gz CLFCSDMMBJOZME-FHWLQOOXSA-N 2 2 380.533 0.870 20 0 GCADLP COCCOC[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892594412 1187805754 /nfs/dbraw/zinc/80/57/54/1187805754.db2.gz KSWXSPRFOJGAPC-INIZCTEOSA-N 2 2 386.518 0.175 20 0 GCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658944962 1187806683 /nfs/dbraw/zinc/80/66/83/1187806683.db2.gz XASFPSIFWOYYOW-FUHWJXTLSA-N 2 2 380.533 0.498 20 0 GCADLP CC(C)Nc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376401433 1187815440 /nfs/dbraw/zinc/81/54/40/1187815440.db2.gz BHEISCXXIVYJQL-HOCLYGCPSA-N 2 2 375.521 0.393 20 0 GCADLP CC(C)Nc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376401433 1187815444 /nfs/dbraw/zinc/81/54/44/1187815444.db2.gz BHEISCXXIVYJQL-HOCLYGCPSA-N 2 2 375.521 0.393 20 0 GCADLP NC(=O)C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCOCC1 ZINC000186090520 1187825826 /nfs/dbraw/zinc/82/58/26/1187825826.db2.gz MQPSYDRPWICETJ-QGZVFWFLSA-N 2 2 394.541 0.653 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)cc1 ZINC000892610250 1187826467 /nfs/dbraw/zinc/82/64/67/1187826467.db2.gz AXDNCAMEAYUPMQ-MOPGFXCFSA-N 2 2 375.517 0.480 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)cc1 ZINC000892610250 1187826469 /nfs/dbraw/zinc/82/64/69/1187826469.db2.gz AXDNCAMEAYUPMQ-MOPGFXCFSA-N 2 2 375.517 0.480 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)cc1 ZINC000892610255 1187826585 /nfs/dbraw/zinc/82/65/85/1187826585.db2.gz AXDNCAMEAYUPMQ-RTBURBONSA-N 2 2 375.517 0.480 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)cc1 ZINC000892610255 1187826588 /nfs/dbraw/zinc/82/65/88/1187826588.db2.gz AXDNCAMEAYUPMQ-RTBURBONSA-N 2 2 375.517 0.480 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892613738 1187831319 /nfs/dbraw/zinc/83/13/19/1187831319.db2.gz GCFJHKTVGBYMKI-SPUZQDLCSA-N 2 2 385.468 0.750 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892613738 1187831325 /nfs/dbraw/zinc/83/13/25/1187831325.db2.gz GCFJHKTVGBYMKI-SPUZQDLCSA-N 2 2 385.468 0.750 20 0 GCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000186623256 1187848168 /nfs/dbraw/zinc/84/81/68/1187848168.db2.gz ORNAQCVFUVWBAN-KRWDZBQOSA-N 2 2 399.561 0.404 20 0 GCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000613539120 1187886969 /nfs/dbraw/zinc/88/69/69/1187886969.db2.gz RWLBIUKEIBLORB-AWEZNQCLSA-N 2 2 391.497 0.924 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000659114045 1187890237 /nfs/dbraw/zinc/89/02/37/1187890237.db2.gz RNYWBZDTSPWXTK-AWEZNQCLSA-N 2 2 375.473 0.013 20 0 GCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659255011 1187921815 /nfs/dbraw/zinc/92/18/15/1187921815.db2.gz DBAKVLQWINVLDV-KRWDZBQOSA-N 2 2 391.516 0.863 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134915030 1187927604 /nfs/dbraw/zinc/92/76/04/1187927604.db2.gz LDBJDTAMBACMPB-IEBWSBKVSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134915030 1187927606 /nfs/dbraw/zinc/92/76/06/1187927606.db2.gz LDBJDTAMBACMPB-IEBWSBKVSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134915030 1187927611 /nfs/dbraw/zinc/92/76/11/1187927611.db2.gz LDBJDTAMBACMPB-IEBWSBKVSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134915030 1187927613 /nfs/dbraw/zinc/92/76/13/1187927613.db2.gz LDBJDTAMBACMPB-IEBWSBKVSA-N 2 2 391.560 0.168 20 0 GCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344803 1187946108 /nfs/dbraw/zinc/94/61/08/1187946108.db2.gz KWRFYSGPJMOSHS-GOSISDBHSA-N 3 2 379.549 0.168 20 0 GCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344803 1187946109 /nfs/dbraw/zinc/94/61/09/1187946109.db2.gz KWRFYSGPJMOSHS-GOSISDBHSA-N 3 2 379.549 0.168 20 0 GCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000659344559 1187946338 /nfs/dbraw/zinc/94/63/38/1187946338.db2.gz FWUFCQZTURBDAW-GOSISDBHSA-N 3 2 379.549 0.166 20 0 GCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000659344559 1187946340 /nfs/dbraw/zinc/94/63/40/1187946340.db2.gz FWUFCQZTURBDAW-GOSISDBHSA-N 3 2 379.549 0.166 20 0 GCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344559 1187946342 /nfs/dbraw/zinc/94/63/42/1187946342.db2.gz FWUFCQZTURBDAW-GOSISDBHSA-N 3 2 379.549 0.166 20 0 GCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344559 1187946344 /nfs/dbraw/zinc/94/63/44/1187946344.db2.gz FWUFCQZTURBDAW-GOSISDBHSA-N 3 2 379.549 0.166 20 0 GCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344548 1187946426 /nfs/dbraw/zinc/94/64/26/1187946426.db2.gz DUCNPJWPSULIIG-ZWKOTPCHSA-N 2 2 380.533 0.641 20 0 GCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344548 1187946429 /nfs/dbraw/zinc/94/64/29/1187946429.db2.gz DUCNPJWPSULIIG-ZWKOTPCHSA-N 2 2 380.533 0.641 20 0 GCADLP CC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344522 1187946881 /nfs/dbraw/zinc/94/68/81/1187946881.db2.gz BEUQHMGAMSFATD-IRXDYDNUSA-N 2 2 382.574 0.967 20 0 GCADLP CC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344522 1187946882 /nfs/dbraw/zinc/94/68/82/1187946882.db2.gz BEUQHMGAMSFATD-IRXDYDNUSA-N 2 2 382.574 0.967 20 0 GCADLP CN(CCOCC1CC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344592 1187947488 /nfs/dbraw/zinc/94/74/88/1187947488.db2.gz IQIXZJHYHOZOOJ-GOSISDBHSA-N 2 2 380.533 0.498 20 0 GCADLP CN(CCOCC1CC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344592 1187947492 /nfs/dbraw/zinc/94/74/92/1187947492.db2.gz IQIXZJHYHOZOOJ-GOSISDBHSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000376587132 1187954546 /nfs/dbraw/zinc/95/45/46/1187954546.db2.gz YZIMIQZDUXOJFO-MSOLQXFVSA-N 2 2 387.532 0.867 20 0 GCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000659454896 1187960348 /nfs/dbraw/zinc/96/03/48/1187960348.db2.gz PPCUNCLHWPXSKP-HUUCEWRRSA-N 2 2 377.493 0.189 20 0 GCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000659454896 1187960351 /nfs/dbraw/zinc/96/03/51/1187960351.db2.gz PPCUNCLHWPXSKP-HUUCEWRRSA-N 2 2 377.493 0.189 20 0 GCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000659633777 1187979761 /nfs/dbraw/zinc/97/97/61/1187979761.db2.gz YFIOTJKSJYBBCI-UHFFFAOYSA-N 2 2 386.456 0.547 20 0 GCADLP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000655468138 1187987451 /nfs/dbraw/zinc/98/74/51/1187987451.db2.gz INDSUBPVWBIRSC-GHTZIAJQSA-N 3 2 391.560 0.073 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000659676071 1187994266 /nfs/dbraw/zinc/99/42/66/1187994266.db2.gz UOFMGJBMDRDTNG-QGZVFWFLSA-N 2 2 392.500 0.664 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000659676071 1187994267 /nfs/dbraw/zinc/99/42/67/1187994267.db2.gz UOFMGJBMDRDTNG-QGZVFWFLSA-N 2 2 392.500 0.664 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCCC1 ZINC000659699825 1188005229 /nfs/dbraw/zinc/00/52/29/1188005229.db2.gz UWLFZMWMXWKULO-UHFFFAOYSA-N 2 2 391.491 0.452 20 0 GCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)C2)CC1 ZINC000106525011 1188012493 /nfs/dbraw/zinc/01/24/93/1188012493.db2.gz MBQGCTSDFVJMTD-MOPGFXCFSA-N 2 2 381.565 0.765 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@H](C)C1 ZINC000376638381 1188012537 /nfs/dbraw/zinc/01/25/37/1188012537.db2.gz BDKSGVGVFXPBDL-SOLBZPMBSA-N 2 2 386.562 0.291 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@H](C)C1 ZINC000376638381 1188012542 /nfs/dbraw/zinc/01/25/42/1188012542.db2.gz BDKSGVGVFXPBDL-SOLBZPMBSA-N 2 2 386.562 0.291 20 0 GCADLP CC(C)[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000909323067 1188054820 /nfs/dbraw/zinc/05/48/20/1188054820.db2.gz HPKNRLWYPBNKGG-SCTDSRPQSA-N 2 2 382.549 0.839 20 0 GCADLP CC(C)[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000909323067 1188054825 /nfs/dbraw/zinc/05/48/25/1188054825.db2.gz HPKNRLWYPBNKGG-SCTDSRPQSA-N 2 2 382.549 0.839 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415420736 1188076133 /nfs/dbraw/zinc/07/61/33/1188076133.db2.gz BLEURNAXWAKSAH-GOSISDBHSA-N 2 2 375.517 0.862 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415456817 1188085437 /nfs/dbraw/zinc/08/54/37/1188085437.db2.gz WYHDWTUJJDXOEK-WMZOPIPTSA-N 2 2 387.528 0.958 20 0 GCADLP CCc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000644569171 1188087342 /nfs/dbraw/zinc/08/73/42/1188087342.db2.gz WCKHWPIKJUABAQ-UXHICEINSA-N 2 2 377.529 0.985 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000415468948 1188087942 /nfs/dbraw/zinc/08/79/42/1188087942.db2.gz WJAGKXQCLRYNGY-APWZRJJASA-N 2 2 387.528 0.958 20 0 GCADLP CN(C(=O)CNC(=O)NCc1ccco1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377637187 1188091811 /nfs/dbraw/zinc/09/18/11/1188091811.db2.gz OYSWNNQMLBOHDB-MRXNPFEDSA-N 2 2 377.489 0.706 20 0 GCADLP CN(C(=O)CNC(=O)NCc1ccco1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377637187 1188091814 /nfs/dbraw/zinc/09/18/14/1188091814.db2.gz OYSWNNQMLBOHDB-MRXNPFEDSA-N 2 2 377.489 0.706 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377648415 1188094984 /nfs/dbraw/zinc/09/49/84/1188094984.db2.gz NTAHTICIFAERLZ-ZWKOTPCHSA-N 2 2 380.533 0.548 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377648415 1188094987 /nfs/dbraw/zinc/09/49/87/1188094987.db2.gz NTAHTICIFAERLZ-ZWKOTPCHSA-N 2 2 380.533 0.548 20 0 GCADLP Cn1cc([C@]2(CNC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCCO2)cn1 ZINC000893021785 1188104083 /nfs/dbraw/zinc/10/40/83/1188104083.db2.gz HVHGUJMOYYFHHS-FXAWDEMLSA-N 2 2 390.532 0.894 20 0 GCADLP Cn1cc([C@]2(CNC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCCO2)cn1 ZINC000893021785 1188104085 /nfs/dbraw/zinc/10/40/85/1188104085.db2.gz HVHGUJMOYYFHHS-FXAWDEMLSA-N 2 2 390.532 0.894 20 0 GCADLP Cn1cc([C@@]2(CNC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCCO2)cn1 ZINC000893021787 1188104998 /nfs/dbraw/zinc/10/49/98/1188104998.db2.gz HVHGUJMOYYFHHS-XLIONFOSSA-N 2 2 390.532 0.894 20 0 GCADLP Cn1cc([C@@]2(CNC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCCO2)cn1 ZINC000893021787 1188105002 /nfs/dbraw/zinc/10/50/02/1188105002.db2.gz HVHGUJMOYYFHHS-XLIONFOSSA-N 2 2 390.532 0.894 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000415562993 1188107368 /nfs/dbraw/zinc/10/73/68/1188107368.db2.gz APQBQVNLCYGKFB-OAQYLSRUSA-N 2 2 387.528 0.878 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCCOC(C)(C)C2)CC1 ZINC000377711324 1188112313 /nfs/dbraw/zinc/11/23/13/1188112313.db2.gz YFKVDHXUQKKJSE-UHFFFAOYSA-N 2 2 387.488 0.513 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCCOC(C)(C)C2)CC1 ZINC000377711324 1188112314 /nfs/dbraw/zinc/11/23/14/1188112314.db2.gz YFKVDHXUQKKJSE-UHFFFAOYSA-N 2 2 387.488 0.513 20 0 GCADLP CC(C)[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000377740891 1188128908 /nfs/dbraw/zinc/12/89/08/1188128908.db2.gz HLRFVFXYHRFLSR-HKUYNNGSSA-N 2 2 380.533 0.546 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000415747382 1188157086 /nfs/dbraw/zinc/15/70/86/1188157086.db2.gz OPOKAYKTSYGXDB-RTBURBONSA-N 2 2 399.539 0.831 20 0 GCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896743 1188165523 /nfs/dbraw/zinc/16/55/23/1188165523.db2.gz AHMBOIRVGQQREP-RBUKOAKNSA-N 2 2 393.576 0.604 20 0 GCADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377917358 1189370564 /nfs/dbraw/zinc/37/05/64/1189370564.db2.gz SWIAOGXUYVOZFU-ZWKOTPCHSA-N 2 2 382.549 0.791 20 0 GCADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377917358 1189370567 /nfs/dbraw/zinc/37/05/67/1189370567.db2.gz SWIAOGXUYVOZFU-ZWKOTPCHSA-N 2 2 382.549 0.791 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415847255 1189379757 /nfs/dbraw/zinc/37/97/57/1189379757.db2.gz KYAHBTRSPBMCEV-HIFRSBDPSA-N 2 2 375.473 0.608 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)CC1 ZINC000415872999 1189393674 /nfs/dbraw/zinc/39/36/74/1189393674.db2.gz UCXDJAOJPIKUQV-ROUUACIJSA-N 2 2 385.512 0.440 20 0 GCADLP CN(C(=O)c1ccc(CNS(C)(=O)=O)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378047947 1189411570 /nfs/dbraw/zinc/41/15/70/1189411570.db2.gz PFWBUMZPWKOJKM-HNNXBMFYSA-N 2 2 398.529 0.569 20 0 GCADLP CN(C(=O)c1ccc(CNS(C)(=O)=O)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378047947 1189411572 /nfs/dbraw/zinc/41/15/72/1189411572.db2.gz PFWBUMZPWKOJKM-HNNXBMFYSA-N 2 2 398.529 0.569 20 0 GCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC000378096296 1189414121 /nfs/dbraw/zinc/41/41/21/1189414121.db2.gz CQHUKZNTOOAMCM-GOSISDBHSA-N 2 2 381.565 0.907 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106582107 1189434847 /nfs/dbraw/zinc/43/48/47/1189434847.db2.gz LBXGMOUJOIEDNE-SFHVURJKSA-N 2 2 396.580 0.208 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106582107 1189434850 /nfs/dbraw/zinc/43/48/50/1189434850.db2.gz LBXGMOUJOIEDNE-SFHVURJKSA-N 2 2 396.580 0.208 20 0 GCADLP C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000378334439 1189480635 /nfs/dbraw/zinc/48/06/35/1189480635.db2.gz MFOYNFFJFCIHJY-QGZVFWFLSA-N 2 2 378.517 0.254 20 0 GCADLP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000378337587 1189480944 /nfs/dbraw/zinc/48/09/44/1189480944.db2.gz VLCKCTTZUNHOJP-IBGZPJMESA-N 2 2 394.560 0.748 20 0 GCADLP CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000378437375 1189509048 /nfs/dbraw/zinc/50/90/48/1189509048.db2.gz SIIWYQQNUREZMV-ROUUACIJSA-N 2 2 395.548 0.480 20 0 GCADLP COC[C@@]1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000416803449 1189583790 /nfs/dbraw/zinc/58/37/90/1189583790.db2.gz CFCZFULGGGAIRT-QUCCMNQESA-N 2 2 376.501 0.955 20 0 GCADLP COC[C@@]1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000416803449 1189583796 /nfs/dbraw/zinc/58/37/96/1189583796.db2.gz CFCZFULGGGAIRT-QUCCMNQESA-N 2 2 376.501 0.955 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000108919328 1189595765 /nfs/dbraw/zinc/59/57/65/1189595765.db2.gz QGSJNRNQTVWYAE-HKUYNNGSSA-N 2 2 394.560 0.936 20 0 GCADLP COCC1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000417273486 1189637443 /nfs/dbraw/zinc/63/74/43/1189637443.db2.gz SUEPBCDTJXOHPN-GOSISDBHSA-N 2 2 386.562 0.510 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000584723524 1189640034 /nfs/dbraw/zinc/64/00/34/1189640034.db2.gz QOONXFZCPNBELU-IBGZPJMESA-N 2 2 383.496 0.979 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000584723524 1189640038 /nfs/dbraw/zinc/64/00/38/1189640038.db2.gz QOONXFZCPNBELU-IBGZPJMESA-N 2 2 383.496 0.979 20 0 GCADLP [NH3+]C[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCCO1 ZINC000417319402 1189646099 /nfs/dbraw/zinc/64/60/99/1189646099.db2.gz NJWZQLYRRVZHDX-SFHVURJKSA-N 2 2 392.500 0.657 20 0 GCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417320761 1189646753 /nfs/dbraw/zinc/64/67/53/1189646753.db2.gz RGJDBBXNJZGNJZ-KRWDZBQOSA-N 2 2 378.473 0.185 20 0 GCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612878160 1189650168 /nfs/dbraw/zinc/65/01/68/1189650168.db2.gz DPXAJCSKNUPORG-HOTGVXAUSA-N 2 2 391.520 0.039 20 0 GCADLP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612878160 1189650173 /nfs/dbraw/zinc/65/01/73/1189650173.db2.gz DPXAJCSKNUPORG-HOTGVXAUSA-N 2 2 391.520 0.039 20 0 GCADLP C[C@H](CCCC[NH3+])NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417371655 1189654668 /nfs/dbraw/zinc/65/46/68/1189654668.db2.gz XCKQNZFCULKKEX-MRXNPFEDSA-N 2 2 376.505 0.937 20 0 GCADLP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604089 1189688033 /nfs/dbraw/zinc/68/80/33/1189688033.db2.gz TXCIRVBMAJGMMB-RTBURBONSA-N 2 2 376.501 0.608 20 0 GCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604086 1189688593 /nfs/dbraw/zinc/68/85/93/1189688593.db2.gz TXCIRVBMAJGMMB-MOPGFXCFSA-N 2 2 376.501 0.608 20 0 GCADLP [NH3+][C@@H](CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000417618770 1189690092 /nfs/dbraw/zinc/69/00/92/1189690092.db2.gz HDJAVZKFRZYBNP-CVEARBPZSA-N 2 2 389.504 0.319 20 0 GCADLP [NH3+][C@@H](CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000417618770 1189690098 /nfs/dbraw/zinc/69/00/98/1189690098.db2.gz HDJAVZKFRZYBNP-CVEARBPZSA-N 2 2 389.504 0.319 20 0 GCADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417621825 1189690276 /nfs/dbraw/zinc/69/02/76/1189690276.db2.gz LHBSHWIRANZFPZ-LSDHHAIUSA-N 2 2 377.493 0.319 20 0 GCADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417621825 1189690278 /nfs/dbraw/zinc/69/02/78/1189690278.db2.gz LHBSHWIRANZFPZ-LSDHHAIUSA-N 2 2 377.493 0.319 20 0 GCADLP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417615117 1189690915 /nfs/dbraw/zinc/69/09/15/1189690915.db2.gz CAKFPSVXHIPMSA-LSDHHAIUSA-N 2 2 377.493 0.319 20 0 GCADLP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417615117 1189690920 /nfs/dbraw/zinc/69/09/20/1189690920.db2.gz CAKFPSVXHIPMSA-LSDHHAIUSA-N 2 2 377.493 0.319 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417615102 1189691318 /nfs/dbraw/zinc/69/13/18/1189691318.db2.gz CAKFPSVXHIPMSA-CABCVRRESA-N 2 2 377.493 0.319 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417615102 1189691320 /nfs/dbraw/zinc/69/13/20/1189691320.db2.gz CAKFPSVXHIPMSA-CABCVRRESA-N 2 2 377.493 0.319 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000417629742 1189691444 /nfs/dbraw/zinc/69/14/44/1189691444.db2.gz VPGWJWVAIJSTMG-HZPDHXFCSA-N 2 2 389.504 0.285 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000417629742 1189691449 /nfs/dbraw/zinc/69/14/49/1189691449.db2.gz VPGWJWVAIJSTMG-HZPDHXFCSA-N 2 2 389.504 0.285 20 0 GCADLP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417629832 1189692216 /nfs/dbraw/zinc/69/22/16/1189692216.db2.gz VXFFTXDCQGSPBZ-CABCVRRESA-N 2 2 377.493 0.319 20 0 GCADLP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417629832 1189692221 /nfs/dbraw/zinc/69/22/21/1189692221.db2.gz VXFFTXDCQGSPBZ-CABCVRRESA-N 2 2 377.493 0.319 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)c3cc(F)cc(F)c3)C2)CC1 ZINC000364227077 1189716283 /nfs/dbraw/zinc/71/62/83/1189716283.db2.gz BEWOJAOVHGJGAG-INIZCTEOSA-N 2 2 380.439 0.979 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)c3cc(F)cc(F)c3)C2)CC1 ZINC000364227077 1189716284 /nfs/dbraw/zinc/71/62/84/1189716284.db2.gz BEWOJAOVHGJGAG-INIZCTEOSA-N 2 2 380.439 0.979 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000418302090 1189753378 /nfs/dbraw/zinc/75/33/78/1189753378.db2.gz SHBAFEPHTHZFRI-UHFFFAOYSA-N 2 2 391.516 0.306 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418382227 1189771778 /nfs/dbraw/zinc/77/17/78/1189771778.db2.gz LVIVRJBCVKWMMF-HNNXBMFYSA-N 2 2 377.493 0.128 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418382227 1189771779 /nfs/dbraw/zinc/77/17/79/1189771779.db2.gz LVIVRJBCVKWMMF-HNNXBMFYSA-N 2 2 377.493 0.128 20 0 GCADLP [NH3+]C1(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC1 ZINC000418532708 1189818731 /nfs/dbraw/zinc/81/87/31/1189818731.db2.gz ZTUBSGDLEJXGDU-UHFFFAOYSA-N 2 2 375.477 0.026 20 0 GCADLP [NH3+]C1(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC000418532708 1189818745 /nfs/dbraw/zinc/81/87/45/1189818745.db2.gz ZTUBSGDLEJXGDU-UHFFFAOYSA-N 2 2 375.477 0.026 20 0 GCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660446784 1189820232 /nfs/dbraw/zinc/82/02/32/1189820232.db2.gz JUZOGJSFPCXKKJ-MJGOQNOKSA-N 2 2 398.573 0.747 20 0 GCADLP O=C(NCC[C@H]1CCC[NH2+]1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000418550461 1189824158 /nfs/dbraw/zinc/82/41/58/1189824158.db2.gz AOXDHBJNHFUPOY-MSOLQXFVSA-N 2 2 376.501 0.896 20 0 GCADLP CNC(=O)[C@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000111268213 1189846549 /nfs/dbraw/zinc/84/65/49/1189846549.db2.gz OBHFLHNPTDPLPY-KRWDZBQOSA-N 2 2 380.533 0.596 20 0 GCADLP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000111268213 1189846557 /nfs/dbraw/zinc/84/65/57/1189846557.db2.gz OBHFLHNPTDPLPY-KRWDZBQOSA-N 2 2 380.533 0.596 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@H](C)O1 ZINC000660535883 1189893452 /nfs/dbraw/zinc/89/34/52/1189893452.db2.gz POLQDHGWAUGFHC-XMTFNYHQSA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@H](C)O1 ZINC000660535883 1189893458 /nfs/dbraw/zinc/89/34/58/1189893458.db2.gz POLQDHGWAUGFHC-XMTFNYHQSA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C[C@H](C)O1 ZINC000660535883 1189893466 /nfs/dbraw/zinc/89/34/66/1189893466.db2.gz POLQDHGWAUGFHC-XMTFNYHQSA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C[C@H](C)O1 ZINC000660535883 1189893471 /nfs/dbraw/zinc/89/34/71/1189893471.db2.gz POLQDHGWAUGFHC-XMTFNYHQSA-N 2 2 380.533 0.497 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H]4NC(=O)CC[C@H]4C3)CC2)CC1 ZINC000660573184 1189907648 /nfs/dbraw/zinc/90/76/48/1189907648.db2.gz GUQMZDKMPGIJMX-MAUKXSAKSA-N 2 2 377.533 0.855 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000975248664 1189933178 /nfs/dbraw/zinc/93/31/78/1189933178.db2.gz ZUDGQESUMLKBLY-YFHUEUNASA-N 2 2 382.468 0.788 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660711769 1189939340 /nfs/dbraw/zinc/93/93/40/1189939340.db2.gz GSBJRGUYBFWSQZ-IEBWSBKVSA-N 3 2 379.549 0.707 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660711769 1189939342 /nfs/dbraw/zinc/93/93/42/1189939342.db2.gz GSBJRGUYBFWSQZ-IEBWSBKVSA-N 3 2 379.549 0.707 20 0 GCADLP CN(C(=O)C(=O)N1CCOCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661066000 1189986548 /nfs/dbraw/zinc/98/65/48/1189986548.db2.gz VHUGPJWIHBGTJC-QZTJIDSGSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)C(=O)N1CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661066000 1189986550 /nfs/dbraw/zinc/98/65/50/1189986550.db2.gz VHUGPJWIHBGTJC-QZTJIDSGSA-N 2 2 380.533 0.641 20 0 GCADLP CC(C)(CNC(=O)C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1)[NH+]1CCOCC1 ZINC000661078815 1189987698 /nfs/dbraw/zinc/98/76/98/1189987698.db2.gz BFNVXSSALZZIDK-SFHVURJKSA-N 2 2 383.533 0.371 20 0 GCADLP O=C(CC[N@@H+](CCOCCO)C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661104113 1189991391 /nfs/dbraw/zinc/99/13/91/1189991391.db2.gz YJNACCWUVRGRTD-UHFFFAOYSA-N 2 2 376.501 0.984 20 0 GCADLP O=C(CC[N@H+](CCOCCO)C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661104113 1189991395 /nfs/dbraw/zinc/99/13/95/1189991395.db2.gz YJNACCWUVRGRTD-UHFFFAOYSA-N 2 2 376.501 0.984 20 0 GCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662846538 1190052290 /nfs/dbraw/zinc/05/22/90/1190052290.db2.gz RBLVIEQRTWMDEV-RBUKOAKNSA-N 2 2 392.544 0.405 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)CO1 ZINC000663915687 1193725589 /nfs/dbraw/zinc/72/55/89/1193725589.db2.gz GWXHHYCMVQBNIW-ZACQAIPSSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)CO1 ZINC000663915687 1193725591 /nfs/dbraw/zinc/72/55/91/1193725591.db2.gz GWXHHYCMVQBNIW-ZACQAIPSSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)CO1 ZINC000663915687 1193725596 /nfs/dbraw/zinc/72/55/96/1193725596.db2.gz GWXHHYCMVQBNIW-ZACQAIPSSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)CO1 ZINC000663915687 1193725599 /nfs/dbraw/zinc/72/55/99/1193725599.db2.gz GWXHHYCMVQBNIW-ZACQAIPSSA-N 2 2 383.537 0.338 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)CC2 ZINC000419228988 1193738779 /nfs/dbraw/zinc/73/87/79/1193738779.db2.gz HARGPRMABJYNGQ-INIZCTEOSA-N 2 2 390.484 0.128 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)CC2 ZINC000419228988 1193738784 /nfs/dbraw/zinc/73/87/84/1193738784.db2.gz HARGPRMABJYNGQ-INIZCTEOSA-N 2 2 390.484 0.128 20 0 GCADLP COCCOc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1OCCOC ZINC001211755277 1193739755 /nfs/dbraw/zinc/73/97/55/1193739755.db2.gz FCTJEFAVMAPVOF-KBPBESRZSA-N 2 2 378.429 0.801 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])CC2 ZINC000419239789 1193754595 /nfs/dbraw/zinc/75/45/95/1193754595.db2.gz QVCGVXDSPCCUEV-MRXNPFEDSA-N 2 2 390.484 0.128 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])CC2 ZINC000419239789 1193754598 /nfs/dbraw/zinc/75/45/98/1193754598.db2.gz QVCGVXDSPCCUEV-MRXNPFEDSA-N 2 2 390.484 0.128 20 0 GCADLP Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)[nH+]c1 ZINC000419302240 1193796156 /nfs/dbraw/zinc/79/61/56/1193796156.db2.gz POAFLFSLXOUAOK-GOEBONIOSA-N 2 2 389.500 0.704 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000419331659 1193824396 /nfs/dbraw/zinc/82/43/96/1193824396.db2.gz HCZCPKBSOXIGSW-UHFFFAOYSA-N 2 2 387.528 0.262 20 0 GCADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000419340175 1193834080 /nfs/dbraw/zinc/83/40/80/1193834080.db2.gz MYRWCQYJXMJGML-UHFFFAOYSA-N 2 2 397.470 0.151 20 0 GCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000052364498 1193855404 /nfs/dbraw/zinc/85/54/04/1193855404.db2.gz SQTDJJSTVWZULY-UHFFFAOYSA-N 2 2 398.467 0.334 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131506 1193857548 /nfs/dbraw/zinc/85/75/48/1193857548.db2.gz ZSGGPXJPIMEEQX-LPHOPBHVSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131506 1193857556 /nfs/dbraw/zinc/85/75/56/1193857556.db2.gz ZSGGPXJPIMEEQX-LPHOPBHVSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131506 1193857558 /nfs/dbraw/zinc/85/75/58/1193857558.db2.gz ZSGGPXJPIMEEQX-LPHOPBHVSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131506 1193857563 /nfs/dbraw/zinc/85/75/63/1193857563.db2.gz ZSGGPXJPIMEEQX-LPHOPBHVSA-N 3 2 379.549 0.396 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419380527 1193881404 /nfs/dbraw/zinc/88/14/04/1193881404.db2.gz BOCIPSBESGHKBY-XYPHTWIQSA-N 2 2 396.919 0.942 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419380527 1193881410 /nfs/dbraw/zinc/88/14/10/1193881410.db2.gz BOCIPSBESGHKBY-XYPHTWIQSA-N 2 2 396.919 0.942 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419381626 1193882978 /nfs/dbraw/zinc/88/29/78/1193882978.db2.gz CPXZJUBTTNTDMD-IKGGRYGDSA-N 2 2 394.903 0.681 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419381626 1193882981 /nfs/dbraw/zinc/88/29/81/1193882981.db2.gz CPXZJUBTTNTDMD-IKGGRYGDSA-N 2 2 394.903 0.681 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCO[C@@H]3C3CC3)CC2)CC1 ZINC000582138723 1193891248 /nfs/dbraw/zinc/89/12/48/1193891248.db2.gz ZFDQLGZJLBPZLO-ZWKOTPCHSA-N 2 2 378.517 0.345 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385173 1193894715 /nfs/dbraw/zinc/89/47/15/1193894715.db2.gz HJASHRYLPJDFOP-XHSDSOJGSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385173 1193894721 /nfs/dbraw/zinc/89/47/21/1193894721.db2.gz HJASHRYLPJDFOP-XHSDSOJGSA-N 2 2 380.876 0.388 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000419388972 1193900351 /nfs/dbraw/zinc/90/03/51/1193900351.db2.gz KUYIPRSWESLTEI-RRQGHBQHSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000419388972 1193900352 /nfs/dbraw/zinc/90/03/52/1193900352.db2.gz KUYIPRSWESLTEI-RRQGHBQHSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000419388971 1193900428 /nfs/dbraw/zinc/90/04/28/1193900428.db2.gz KUYIPRSWESLTEI-KBRIMQKVSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000419388971 1193900430 /nfs/dbraw/zinc/90/04/30/1193900430.db2.gz KUYIPRSWESLTEI-KBRIMQKVSA-N 2 2 394.903 0.648 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419391543 1193903068 /nfs/dbraw/zinc/90/30/68/1193903068.db2.gz NEKNLPYKQXAYAB-HOTGVXAUSA-N 2 2 380.876 0.260 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419391543 1193903069 /nfs/dbraw/zinc/90/30/69/1193903069.db2.gz NEKNLPYKQXAYAB-HOTGVXAUSA-N 2 2 380.876 0.260 20 0 GCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419392774 1193917930 /nfs/dbraw/zinc/91/79/30/1193917930.db2.gz PAMOPAGTKVKCCT-UHOFOFEASA-N 2 2 382.892 0.634 20 0 GCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419392774 1193917933 /nfs/dbraw/zinc/91/79/33/1193917933.db2.gz PAMOPAGTKVKCCT-UHOFOFEASA-N 2 2 382.892 0.634 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392503 1193919069 /nfs/dbraw/zinc/91/90/69/1193919069.db2.gz OLCMTQKQGMBANZ-IXDOHACOSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392503 1193919070 /nfs/dbraw/zinc/91/90/70/1193919070.db2.gz OLCMTQKQGMBANZ-IXDOHACOSA-N 2 2 394.903 0.778 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000261765214 1193925175 /nfs/dbraw/zinc/92/51/75/1193925175.db2.gz RNDQWTHMQXYGDH-HXUWFJFHSA-N 2 2 388.512 0.640 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[C@@H](C)O1 ZINC000333402630 1193928668 /nfs/dbraw/zinc/92/86/68/1193928668.db2.gz QFDUIVQBLZAMQI-ZACQAIPSSA-N 2 2 395.548 0.480 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000333414356 1193930352 /nfs/dbraw/zinc/93/03/52/1193930352.db2.gz GZJALCQCYLAQTL-KRWDZBQOSA-N 2 2 376.505 1.307 20 0 GCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000262129697 1193940161 /nfs/dbraw/zinc/94/01/61/1193940161.db2.gz NYRGCFWJCQMARG-IBGZPJMESA-N 2 2 389.500 0.305 20 0 GCADLP C[NH2+][C@@H](C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000262451738 1193948198 /nfs/dbraw/zinc/94/81/98/1193948198.db2.gz WAYLBTWBXYVEHB-LJQANCHMSA-N 2 2 387.484 0.708 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000513463674 1193953886 /nfs/dbraw/zinc/95/38/86/1193953886.db2.gz PAMBTGUQSZHGOG-LSDHHAIUSA-N 2 2 384.521 0.175 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000513463674 1193953889 /nfs/dbraw/zinc/95/38/89/1193953889.db2.gz PAMBTGUQSZHGOG-LSDHHAIUSA-N 2 2 384.521 0.175 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419397970 1194018221 /nfs/dbraw/zinc/01/82/21/1194018221.db2.gz YVXIGCPBOVGNMK-SJORKVTESA-N 2 2 396.919 0.944 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419397970 1194018226 /nfs/dbraw/zinc/01/82/26/1194018226.db2.gz YVXIGCPBOVGNMK-SJORKVTESA-N 2 2 396.919 0.944 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419397969 1194018311 /nfs/dbraw/zinc/01/83/11/1194018311.db2.gz YVXIGCPBOVGNMK-IRXDYDNUSA-N 2 2 396.919 0.944 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419397969 1194018315 /nfs/dbraw/zinc/01/83/15/1194018315.db2.gz YVXIGCPBOVGNMK-IRXDYDNUSA-N 2 2 396.919 0.944 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419398869 1194018721 /nfs/dbraw/zinc/01/87/21/1194018721.db2.gz IKJSIEWLQLDJPX-SOLBZPMBSA-N 2 2 390.553 0.929 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419398869 1194018723 /nfs/dbraw/zinc/01/87/23/1194018723.db2.gz IKJSIEWLQLDJPX-SOLBZPMBSA-N 2 2 390.553 0.929 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419399457 1194019030 /nfs/dbraw/zinc/01/90/30/1194019030.db2.gz KABNXLORQDIPIM-NVXWUHKLSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419399457 1194019035 /nfs/dbraw/zinc/01/90/35/1194019035.db2.gz KABNXLORQDIPIM-NVXWUHKLSA-N 2 2 376.526 0.541 20 0 GCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419400313 1194019226 /nfs/dbraw/zinc/01/92/26/1194019226.db2.gz LRUBPQIYFVQPAV-CQSZACIVSA-N 2 2 386.468 0.430 20 0 GCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419400313 1194019230 /nfs/dbraw/zinc/01/92/30/1194019230.db2.gz LRUBPQIYFVQPAV-CQSZACIVSA-N 2 2 386.468 0.430 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419404526 1194020988 /nfs/dbraw/zinc/02/09/88/1194020988.db2.gz TXMQTSLOBPGRDR-DOTOQJQBSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419404526 1194020991 /nfs/dbraw/zinc/02/09/91/1194020991.db2.gz TXMQTSLOBPGRDR-DOTOQJQBSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419424770 1194025415 /nfs/dbraw/zinc/02/54/15/1194025415.db2.gz URISVZTUZWKNTK-GOSISDBHSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419424770 1194025416 /nfs/dbraw/zinc/02/54/16/1194025416.db2.gz URISVZTUZWKNTK-GOSISDBHSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419411433 1194029469 /nfs/dbraw/zinc/02/94/69/1194029469.db2.gz BSOBKWSFXHOAQD-HKUYNNGSSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419411433 1194029471 /nfs/dbraw/zinc/02/94/71/1194029471.db2.gz BSOBKWSFXHOAQD-HKUYNNGSSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419411433 1194029476 /nfs/dbraw/zinc/02/94/76/1194029476.db2.gz BSOBKWSFXHOAQD-HKUYNNGSSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419411433 1194029481 /nfs/dbraw/zinc/02/94/81/1194029481.db2.gz BSOBKWSFXHOAQD-HKUYNNGSSA-N 2 2 387.528 0.302 20 0 GCADLP CN1CC[N@H+](CCCNC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000419414908 1194031336 /nfs/dbraw/zinc/03/13/36/1194031336.db2.gz HJKLFJSBWHCQPC-MRXNPFEDSA-N 2 2 397.470 0.192 20 0 GCADLP CN1CC[N@@H+](CCCNC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000419414908 1194031338 /nfs/dbraw/zinc/03/13/38/1194031338.db2.gz HJKLFJSBWHCQPC-MRXNPFEDSA-N 2 2 397.470 0.192 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419448994 1194036790 /nfs/dbraw/zinc/03/67/90/1194036790.db2.gz JRIUJQKIANRHJS-KRWDZBQOSA-N 2 2 387.528 0.524 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419449323 1194037206 /nfs/dbraw/zinc/03/72/06/1194037206.db2.gz JRIUJQKIANRHJS-QGZVFWFLSA-N 2 2 387.528 0.524 20 0 GCADLP CCC(CC)[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000501038582 1194043418 /nfs/dbraw/zinc/04/34/18/1194043418.db2.gz WTKMFRXMLORHNG-SFHVURJKSA-N 2 2 397.564 0.587 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419502501 1194046196 /nfs/dbraw/zinc/04/61/96/1194046196.db2.gz FUSAQAXTQHQGSG-UHFFFAOYSA-N 2 2 379.480 0.180 20 0 GCADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419503383 1194046595 /nfs/dbraw/zinc/04/65/95/1194046595.db2.gz HFWDWRRIWUOHGA-QGZVFWFLSA-N 2 2 377.464 0.014 20 0 GCADLP CCC([NH3+])(CC)CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419506835 1194047385 /nfs/dbraw/zinc/04/73/85/1194047385.db2.gz OCRHMJSKHWUBFO-UHFFFAOYSA-N 2 2 393.507 0.698 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[C@H](C)[NH2+]1 ZINC000419506659 1194047438 /nfs/dbraw/zinc/04/74/38/1194047438.db2.gz NOXBKPZBDDDMCR-IYBDPMFKSA-N 2 2 391.491 0.273 20 0 GCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419507051 1194048183 /nfs/dbraw/zinc/04/81/83/1194048183.db2.gz OPYOPPKMEDIWEY-NVXWUHKLSA-N 2 2 391.491 0.308 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC1 ZINC000419508300 1194048482 /nfs/dbraw/zinc/04/84/82/1194048482.db2.gz RBHUJSGTJWALET-UHFFFAOYSA-N 2 2 377.464 0.062 20 0 GCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419487350 1194048885 /nfs/dbraw/zinc/04/88/85/1194048885.db2.gz BAPXXPPGEITPQN-JKSUJKDBSA-N 2 2 391.491 0.260 20 0 GCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419487348 1194049189 /nfs/dbraw/zinc/04/91/89/1194049189.db2.gz BAPXXPPGEITPQN-HZPDHXFCSA-N 2 2 391.491 0.260 20 0 GCADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419511617 1194050801 /nfs/dbraw/zinc/05/08/01/1194050801.db2.gz WAVFFDOYFKJJDA-INIZCTEOSA-N 2 2 377.464 0.014 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000419512907 1194051149 /nfs/dbraw/zinc/05/11/49/1194051149.db2.gz YDHLRIQMBRYCGJ-QAPCUYQASA-N 2 2 391.491 0.260 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419647872 1194076418 /nfs/dbraw/zinc/07/64/18/1194076418.db2.gz RUVXNCDSJPQHCR-WMLDXEAASA-N 2 2 385.468 0.777 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419647870 1194076549 /nfs/dbraw/zinc/07/65/49/1194076549.db2.gz RUVXNCDSJPQHCR-RHSMWYFYSA-N 2 2 385.468 0.777 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419686445 1194084625 /nfs/dbraw/zinc/08/46/25/1194084625.db2.gz OBIBCLAZJHQIEB-HACGYAERSA-N 2 2 391.422 0.928 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419686446 1194084712 /nfs/dbraw/zinc/08/47/12/1194084712.db2.gz OBIBCLAZJHQIEB-IFIJOSMWSA-N 2 2 391.422 0.928 20 0 GCADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000419718246 1194092175 /nfs/dbraw/zinc/09/21/75/1194092175.db2.gz CWIYNQYVASFGFU-ZWKOTPCHSA-N 2 2 385.468 0.660 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419718428 1194092391 /nfs/dbraw/zinc/09/23/91/1194092391.db2.gz DKRYAMCUAPVNGM-ZDUSSCGKSA-N 2 2 380.439 0.866 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1c1cccc(F)c1 ZINC000419725066 1194093703 /nfs/dbraw/zinc/09/37/03/1194093703.db2.gz HYNSEDNLCICXJK-FGTMMUONSA-N 2 2 397.454 0.869 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1Cl ZINC000419863850 1194125633 /nfs/dbraw/zinc/12/56/33/1194125633.db2.gz IIYBMZIFLCITJC-QGZVFWFLSA-N 2 2 395.935 0.470 20 0 GCADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000419895875 1194135870 /nfs/dbraw/zinc/13/58/70/1194135870.db2.gz PVQBGNRYPUBIPO-RTBURBONSA-N 2 2 386.496 0.564 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419904106 1194137415 /nfs/dbraw/zinc/13/74/15/1194137415.db2.gz PJKZIGRBIFAYFP-NZSAHSFTSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419904106 1194137418 /nfs/dbraw/zinc/13/74/18/1194137418.db2.gz PJKZIGRBIFAYFP-NZSAHSFTSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419913637 1194138125 /nfs/dbraw/zinc/13/81/25/1194138125.db2.gz PJKZIGRBIFAYFP-WDSOQIARSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419913637 1194138127 /nfs/dbraw/zinc/13/81/27/1194138127.db2.gz PJKZIGRBIFAYFP-WDSOQIARSA-N 3 2 393.576 0.650 20 0 GCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419921351 1194139332 /nfs/dbraw/zinc/13/93/32/1194139332.db2.gz XWJKFQYNBOBWMB-INIZCTEOSA-N 2 2 376.476 0.976 20 0 GCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419921351 1194139334 /nfs/dbraw/zinc/13/93/34/1194139334.db2.gz XWJKFQYNBOBWMB-INIZCTEOSA-N 2 2 376.476 0.976 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419939863 1194145867 /nfs/dbraw/zinc/14/58/67/1194145867.db2.gz YWFFFEFJPCFJJA-SFHVURJKSA-N 3 2 375.517 0.287 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419939863 1194145870 /nfs/dbraw/zinc/14/58/70/1194145870.db2.gz YWFFFEFJPCFJJA-SFHVURJKSA-N 3 2 375.517 0.287 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)[C@H](C)C1 ZINC000419963280 1194148298 /nfs/dbraw/zinc/14/82/98/1194148298.db2.gz HRRBPEMSKCZJOL-GDBMZVCRSA-N 2 2 382.505 0.106 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)[C@H](C)C1 ZINC000419963280 1194148301 /nfs/dbraw/zinc/14/83/01/1194148301.db2.gz HRRBPEMSKCZJOL-GDBMZVCRSA-N 2 2 382.505 0.106 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419964238 1194148420 /nfs/dbraw/zinc/14/84/20/1194148420.db2.gz WZODVKCWBZBCON-NXHRZFHOSA-N 3 2 381.565 0.493 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419964238 1194148422 /nfs/dbraw/zinc/14/84/22/1194148422.db2.gz WZODVKCWBZBCON-NXHRZFHOSA-N 3 2 381.565 0.493 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000420010257 1194157185 /nfs/dbraw/zinc/15/71/85/1194157185.db2.gz GQCMQGSHGYWMIZ-HNNXBMFYSA-N 2 2 376.505 0.657 20 0 GCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)c1C ZINC000420054492 1194170245 /nfs/dbraw/zinc/17/02/45/1194170245.db2.gz HEMPJURUOFMSHH-UONOGXRCSA-N 2 2 378.473 0.895 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000420174606 1194201192 /nfs/dbraw/zinc/20/11/92/1194201192.db2.gz YUTUIOQAXRDFQK-BRWVUGGUSA-N 2 2 380.533 0.450 20 0 GCADLP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000420202438 1194203519 /nfs/dbraw/zinc/20/35/19/1194203519.db2.gz PSKWCEFQQXZRLX-QGZVFWFLSA-N 2 2 394.903 0.479 20 0 GCADLP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000420202438 1194203523 /nfs/dbraw/zinc/20/35/23/1194203523.db2.gz PSKWCEFQQXZRLX-QGZVFWFLSA-N 2 2 394.903 0.479 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000501645659 1194215751 /nfs/dbraw/zinc/21/57/51/1194215751.db2.gz LXULFRBGUJFMTJ-NZSAHSFTSA-N 2 2 392.544 0.546 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000501645659 1194215756 /nfs/dbraw/zinc/21/57/56/1194215756.db2.gz LXULFRBGUJFMTJ-NZSAHSFTSA-N 2 2 392.544 0.546 20 0 GCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NCCOc3ccc(F)cc3)C2)nn1 ZINC000420380834 1194225158 /nfs/dbraw/zinc/22/51/58/1194225158.db2.gz OKCNKJBRRYGMIM-MRXNPFEDSA-N 2 2 376.436 0.708 20 0 GCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NCCOc3ccc(F)cc3)C2)nn1 ZINC000420380834 1194225162 /nfs/dbraw/zinc/22/51/62/1194225162.db2.gz OKCNKJBRRYGMIM-MRXNPFEDSA-N 2 2 376.436 0.708 20 0 GCADLP O=C(C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)NCCCc1ccccc1 ZINC000420395017 1194226538 /nfs/dbraw/zinc/22/65/38/1194226538.db2.gz BKICEZWKDSCORQ-PMACEKPBSA-N 2 2 399.539 0.956 20 0 GCADLP O=C(C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)NCCCc1ccccc1 ZINC000420395017 1194226542 /nfs/dbraw/zinc/22/65/42/1194226542.db2.gz BKICEZWKDSCORQ-PMACEKPBSA-N 2 2 399.539 0.956 20 0 GCADLP COCC(COC)[NH+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000414471808 1194264903 /nfs/dbraw/zinc/26/49/03/1194264903.db2.gz MGSFEBKVWUCCQN-UHFFFAOYSA-N 2 2 378.521 0.007 20 0 GCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000421133317 1194298314 /nfs/dbraw/zinc/29/83/14/1194298314.db2.gz VNJQMQHKIUAVOA-ZACQAIPSSA-N 2 2 382.549 0.932 20 0 GCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000421133317 1194298318 /nfs/dbraw/zinc/29/83/18/1194298318.db2.gz VNJQMQHKIUAVOA-ZACQAIPSSA-N 2 2 382.549 0.932 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421226504 1194311846 /nfs/dbraw/zinc/31/18/46/1194311846.db2.gz ORWVDTKSWDPLOS-ZWKOTPCHSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421226504 1194311850 /nfs/dbraw/zinc/31/18/50/1194311850.db2.gz ORWVDTKSWDPLOS-ZWKOTPCHSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000421228530 1194312590 /nfs/dbraw/zinc/31/25/90/1194312590.db2.gz RNCJCAPQPXVLIQ-ABHNRTSZSA-N 2 2 382.549 0.839 20 0 GCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000421292095 1194323459 /nfs/dbraw/zinc/32/34/59/1194323459.db2.gz AAHWEYCZXUCTEP-LJQANCHMSA-N 2 2 387.528 0.925 20 0 GCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000421292095 1194323466 /nfs/dbraw/zinc/32/34/66/1194323466.db2.gz AAHWEYCZXUCTEP-LJQANCHMSA-N 2 2 387.528 0.925 20 0 GCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H]4OCC[NH2+][C@@H]4C3)CC2)cc1 ZINC000584236670 1194370369 /nfs/dbraw/zinc/37/03/69/1194370369.db2.gz RQOSGCWURVXWPA-WOJBJXKFSA-N 2 2 388.512 0.402 20 0 GCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](CC)O1 ZINC000422110765 1194392727 /nfs/dbraw/zinc/39/27/27/1194392727.db2.gz XEKKRDNVDRQBRK-ROUUACIJSA-N 2 2 382.549 0.887 20 0 GCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](CC)O1 ZINC000422110765 1194392730 /nfs/dbraw/zinc/39/27/30/1194392730.db2.gz XEKKRDNVDRQBRK-ROUUACIJSA-N 2 2 382.549 0.887 20 0 GCADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000503183695 1194403668 /nfs/dbraw/zinc/40/36/68/1194403668.db2.gz URAASZSTAAABIM-ZIAGYGMSSA-N 2 2 379.505 0.339 20 0 GCADLP Cn1c2ncn(CC[NH2+]C(C)(C)C[N@H+](C)Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000272249905 1194444537 /nfs/dbraw/zinc/44/45/37/1194444537.db2.gz LCIIQNIGXBFDRE-UHFFFAOYSA-N 2 2 398.511 0.934 20 0 GCADLP Cn1c2ncn(CC[NH2+]C(C)(C)C[N@@H+](C)Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000272249905 1194444541 /nfs/dbraw/zinc/44/45/41/1194444541.db2.gz LCIIQNIGXBFDRE-UHFFFAOYSA-N 2 2 398.511 0.934 20 0 GCADLP O=S1(=O)C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H](N2CCOCC2)C1 ZINC000272828645 1194507161 /nfs/dbraw/zinc/50/71/61/1194507161.db2.gz HKKCEXUTJWQLGA-IAGOWNOFSA-N 2 2 380.514 0.138 20 0 GCADLP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)(C)C[NH+](C)C ZINC000422353052 1194617571 /nfs/dbraw/zinc/61/75/71/1194617571.db2.gz GCXGWJVQAXVFST-MRXNPFEDSA-N 2 2 398.548 0.077 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000422400792 1194628827 /nfs/dbraw/zinc/62/88/27/1194628827.db2.gz BTYADBRREIRUES-KRWDZBQOSA-N 2 2 398.548 0.173 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CC[NH2+]CC3)CC2)cc1OC ZINC000261874034 1194663442 /nfs/dbraw/zinc/66/34/42/1194663442.db2.gz SSSZFGLQIMHDLT-UHFFFAOYSA-N 2 2 376.501 0.562 20 0 GCADLP CO[C@](C)([C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000422536547 1194664749 /nfs/dbraw/zinc/66/47/49/1194664749.db2.gz XPGLLYUUNXQCOX-MGPUTAFESA-N 2 2 382.549 0.791 20 0 GCADLP CO[C@](C)([C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000422536547 1194664752 /nfs/dbraw/zinc/66/47/52/1194664752.db2.gz XPGLLYUUNXQCOX-MGPUTAFESA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)[NH+]1CCOCC1 ZINC000414675759 1194679304 /nfs/dbraw/zinc/67/93/04/1194679304.db2.gz GOUXMALOWOUOQV-KRWDZBQOSA-N 2 2 378.473 0.436 20 0 GCADLP CC[C@H](NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422709216 1194690934 /nfs/dbraw/zinc/69/09/34/1194690934.db2.gz KBHCACHCZCKOTN-IRXDYDNUSA-N 2 2 381.546 0.654 20 0 GCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000503599125 1194698464 /nfs/dbraw/zinc/69/84/64/1194698464.db2.gz FYGMYCCBOSYOLL-UHFFFAOYSA-N 2 2 389.500 0.073 20 0 GCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000422867403 1194704362 /nfs/dbraw/zinc/70/43/62/1194704362.db2.gz SCCIUXZNMQBDTN-APWZRJJASA-N 2 2 397.541 0.705 20 0 GCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422940227 1194710004 /nfs/dbraw/zinc/71/00/04/1194710004.db2.gz SNWARHBUEZCYBC-MSOLQXFVSA-N 2 2 383.514 0.468 20 0 GCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985994 1194715602 /nfs/dbraw/zinc/71/56/02/1194715602.db2.gz GFZFCIPOZSPLRX-KZNAEPCWSA-N 2 2 390.532 0.639 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC2)c1 ZINC000423013176 1194717391 /nfs/dbraw/zinc/71/73/91/1194717391.db2.gz MFTFNHRCPDFCKH-FQEVSTJZSA-N 2 2 399.539 0.145 20 0 GCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423014882 1194717943 /nfs/dbraw/zinc/71/79/43/1194717943.db2.gz QAKFBIPYYXOFRB-LJQANCHMSA-N 2 2 388.512 0.640 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423026887 1194719434 /nfs/dbraw/zinc/71/94/34/1194719434.db2.gz CMTPHWNSFXDAIH-HOTGVXAUSA-N 2 2 388.516 0.753 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@H](C)[NH2+]1 ZINC000423182796 1194733547 /nfs/dbraw/zinc/73/35/47/1194733547.db2.gz FNEKCNBIVLFCJJ-KBPBESRZSA-N 2 2 394.438 0.308 20 0 GCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1C ZINC000423202071 1194738988 /nfs/dbraw/zinc/73/89/88/1194738988.db2.gz AKIIWVBHJFTCOU-INIZCTEOSA-N 2 2 389.500 0.172 20 0 GCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000423202072 1194739097 /nfs/dbraw/zinc/73/90/97/1194739097.db2.gz AKIIWVBHJFTCOU-MRXNPFEDSA-N 2 2 389.500 0.172 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000423329121 1194749596 /nfs/dbraw/zinc/74/95/96/1194749596.db2.gz ONUBNYVMSVAAAS-IYBDPMFKSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000423329121 1194749597 /nfs/dbraw/zinc/74/95/97/1194749597.db2.gz ONUBNYVMSVAAAS-IYBDPMFKSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000423358550 1194751093 /nfs/dbraw/zinc/75/10/93/1194751093.db2.gz BQIRJVOCHHEPFW-SFHVURJKSA-N 2 2 394.560 0.792 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000423364724 1194751316 /nfs/dbraw/zinc/75/13/16/1194751316.db2.gz JWDCSIRFBUSANJ-UHFFFAOYSA-N 2 2 380.533 0.548 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000423370294 1194751882 /nfs/dbraw/zinc/75/18/82/1194751882.db2.gz FOSWTBFBOLKWLZ-HDICACEKSA-N 2 2 387.528 0.476 20 0 GCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423388457 1194752947 /nfs/dbraw/zinc/75/29/47/1194752947.db2.gz NPRXZLPCXKRKAX-KDURUIRLSA-N 2 2 399.539 0.620 20 0 GCADLP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423530536 1194761336 /nfs/dbraw/zinc/76/13/36/1194761336.db2.gz PPGBOLQLGSYKTK-MSOLQXFVSA-N 3 2 379.549 0.214 20 0 GCADLP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423530536 1194761337 /nfs/dbraw/zinc/76/13/37/1194761337.db2.gz PPGBOLQLGSYKTK-MSOLQXFVSA-N 3 2 379.549 0.214 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529113 1194761396 /nfs/dbraw/zinc/76/13/96/1194761396.db2.gz NXHHKHLZCJFOQD-BHIYHBOVSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529113 1194761400 /nfs/dbraw/zinc/76/14/00/1194761400.db2.gz NXHHKHLZCJFOQD-BHIYHBOVSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529117 1194761501 /nfs/dbraw/zinc/76/15/01/1194761501.db2.gz NXHHKHLZCJFOQD-QXAKKESOSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529117 1194761504 /nfs/dbraw/zinc/76/15/04/1194761504.db2.gz NXHHKHLZCJFOQD-QXAKKESOSA-N 3 2 393.576 0.602 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423527672 1194763485 /nfs/dbraw/zinc/76/34/85/1194763485.db2.gz MKODOAQPTODQIE-QXAKKESOSA-N 3 2 393.576 0.732 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423527672 1194763489 /nfs/dbraw/zinc/76/34/89/1194763489.db2.gz MKODOAQPTODQIE-QXAKKESOSA-N 3 2 393.576 0.732 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423612298 1194773554 /nfs/dbraw/zinc/77/35/54/1194773554.db2.gz PIPHHKKABHCRMX-ICSRJNTNSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000423612298 1194773556 /nfs/dbraw/zinc/77/35/56/1194773556.db2.gz PIPHHKKABHCRMX-ICSRJNTNSA-N 2 2 399.539 0.225 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)[C@H](C[NH3+])C1 ZINC000423629553 1194775678 /nfs/dbraw/zinc/77/56/78/1194775678.db2.gz BKSRDLHGRCNYHZ-RBUKOAKNSA-N 2 2 388.512 0.604 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C[NH3+])C1 ZINC000423668220 1194782404 /nfs/dbraw/zinc/78/24/04/1194782404.db2.gz JWRLIPRXSGKMFE-RTBURBONSA-N 2 2 388.512 0.604 20 0 GCADLP Cc1nc(N2CCN(C(=O)C(=O)N(CCC[NH3+])Cc3ccccc3)CC2)cc[nH+]1 ZINC000423670902 1194782566 /nfs/dbraw/zinc/78/25/66/1194782566.db2.gz MTWUOVVUJYPUTQ-UHFFFAOYSA-N 2 2 396.495 0.811 20 0 GCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000423711752 1194787456 /nfs/dbraw/zinc/78/74/56/1194787456.db2.gz UTKZWLDRKBWPOH-GOSISDBHSA-N 2 2 386.496 0.865 20 0 GCADLP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)[C@@H](C)[NH3+] ZINC000423740201 1194792916 /nfs/dbraw/zinc/79/29/16/1194792916.db2.gz IQBYUSYHHDTEMG-APWZRJJASA-N 3 2 381.565 0.303 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000423780308 1194793170 /nfs/dbraw/zinc/79/31/70/1194793170.db2.gz VXZKZXMIRVVRIC-MAUKXSAKSA-N 2 2 376.505 0.581 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@H](C)[NH3+] ZINC000423780308 1194793171 /nfs/dbraw/zinc/79/31/71/1194793171.db2.gz VXZKZXMIRVVRIC-MAUKXSAKSA-N 2 2 376.505 0.581 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(=O)[nH]c1=O ZINC000424294409 1194807517 /nfs/dbraw/zinc/80/75/17/1194807517.db2.gz QEKWRKXQZZZUJJ-CHWSQXEVSA-N 2 2 380.493 0.544 20 0 GCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000424460012 1194813233 /nfs/dbraw/zinc/81/32/33/1194813233.db2.gz XRSQJEIRJNGPKI-UHFFFAOYSA-N 2 2 386.456 0.560 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424537407 1194820298 /nfs/dbraw/zinc/82/02/98/1194820298.db2.gz CEKUHSAIBWQIJZ-IPMKNSEASA-N 2 2 396.495 0.189 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424537407 1194820300 /nfs/dbraw/zinc/82/03/00/1194820300.db2.gz CEKUHSAIBWQIJZ-IPMKNSEASA-N 2 2 396.495 0.189 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000434481245 1194847323 /nfs/dbraw/zinc/84/73/23/1194847323.db2.gz CSVUDGWEGLOQLM-HXUWFJFHSA-N 2 2 390.528 0.350 20 0 GCADLP C[C@@H]1C[NH+](CCOC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000514141510 1194853480 /nfs/dbraw/zinc/85/34/80/1194853480.db2.gz GCTZZUNIWXCUKB-RTBURBONSA-N 3 2 396.576 0.741 20 0 GCADLP CC(C)[N@@H+]1CCc2nc(CN3CCO[C@H](C[NH+](C)CC(N)=O)C3)sc2C1 ZINC000434644734 1194856843 /nfs/dbraw/zinc/85/68/43/1194856843.db2.gz WMQRPDVSULMXGZ-CQSZACIVSA-N 2 2 381.546 0.528 20 0 GCADLP CC(C)[N@H+]1CCc2nc(CN3CCO[C@H](C[NH+](C)CC(N)=O)C3)sc2C1 ZINC000434644734 1194856845 /nfs/dbraw/zinc/85/68/45/1194856845.db2.gz WMQRPDVSULMXGZ-CQSZACIVSA-N 2 2 381.546 0.528 20 0 GCADLP CC(C)[NH+]1CCc2nc(CN3CCO[C@H](C[N@H+](C)CC(N)=O)C3)sc2C1 ZINC000434644734 1194856847 /nfs/dbraw/zinc/85/68/47/1194856847.db2.gz WMQRPDVSULMXGZ-CQSZACIVSA-N 2 2 381.546 0.528 20 0 GCADLP CC(C)[NH+]1CCc2nc(CN3CCO[C@H](C[N@@H+](C)CC(N)=O)C3)sc2C1 ZINC000434644734 1194856849 /nfs/dbraw/zinc/85/68/49/1194856849.db2.gz WMQRPDVSULMXGZ-CQSZACIVSA-N 2 2 381.546 0.528 20 0 GCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000434842089 1194873431 /nfs/dbraw/zinc/87/34/31/1194873431.db2.gz OCZBWGPIYQTSHO-UHFFFAOYSA-N 2 2 395.426 0.251 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CC[NH+](CCOC)C3)CC2)CC1 ZINC000514787641 1194908908 /nfs/dbraw/zinc/90/89/08/1194908908.db2.gz UABRJHVHAYBZCK-SFHVURJKSA-N 3 2 381.565 0.909 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CC[NH+](CCOC)C3)CC2)CC1 ZINC000514787641 1194908911 /nfs/dbraw/zinc/90/89/11/1194908911.db2.gz UABRJHVHAYBZCK-SFHVURJKSA-N 3 2 381.565 0.909 20 0 GCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)N[C@H]3CC[N@H+](CCOC)C3)CC2)CC1 ZINC000514787641 1194908913 /nfs/dbraw/zinc/90/89/13/1194908913.db2.gz UABRJHVHAYBZCK-SFHVURJKSA-N 3 2 381.565 0.909 20 0 GCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)CC2)CC1 ZINC000514787641 1194908916 /nfs/dbraw/zinc/90/89/16/1194908916.db2.gz UABRJHVHAYBZCK-SFHVURJKSA-N 3 2 381.565 0.909 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000283306676 1194915125 /nfs/dbraw/zinc/91/51/25/1194915125.db2.gz FCYWYAMFWLQKCM-MRXNPFEDSA-N 2 2 394.541 0.792 20 0 GCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514938346 1194930803 /nfs/dbraw/zinc/93/08/03/1194930803.db2.gz HIFWRLRQABYXAC-QZTJIDSGSA-N 3 2 379.549 0.071 20 0 GCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514938348 1194931072 /nfs/dbraw/zinc/93/10/72/1194931072.db2.gz HIFWRLRQABYXAC-ROUUACIJSA-N 3 2 379.549 0.071 20 0 GCADLP COC1CC[NH+](C(C)(C)CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000435494130 1194936529 /nfs/dbraw/zinc/93/65/29/1194936529.db2.gz LXQVZTNHYZJPRC-INIZCTEOSA-N 2 2 386.537 0.210 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515049673 1194941826 /nfs/dbraw/zinc/94/18/26/1194941826.db2.gz IOIZDLPHTRTJEL-QGZVFWFLSA-N 2 2 375.517 0.559 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000284120652 1194945009 /nfs/dbraw/zinc/94/50/09/1194945009.db2.gz NSQAGMMLIHMNEH-UHFFFAOYSA-N 2 2 376.501 0.545 20 0 GCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000435585814 1194946260 /nfs/dbraw/zinc/94/62/60/1194946260.db2.gz VBKANMJBGQYPLT-IXDOHACOSA-N 2 2 386.537 0.209 20 0 GCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000435585814 1194946262 /nfs/dbraw/zinc/94/62/62/1194946262.db2.gz VBKANMJBGQYPLT-IXDOHACOSA-N 2 2 386.537 0.209 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000435614104 1194947498 /nfs/dbraw/zinc/94/74/98/1194947498.db2.gz CSPYDWMRWJRUFU-LJQANCHMSA-N 2 2 391.516 0.381 20 0 GCADLP Cc1ncsc1C[N@@H+]1CCO[C@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992610 1194949493 /nfs/dbraw/zinc/94/94/93/1194949493.db2.gz RHXUWEYNHNCONG-QGZVFWFLSA-N 2 2 380.518 0.470 20 0 GCADLP Cc1ncsc1C[N@H+]1CCO[C@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992610 1194949496 /nfs/dbraw/zinc/94/94/96/1194949496.db2.gz RHXUWEYNHNCONG-QGZVFWFLSA-N 2 2 380.518 0.470 20 0 GCADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061702 1194983591 /nfs/dbraw/zinc/98/35/91/1194983591.db2.gz HYNLNGPJIZBYJY-KRWDZBQOSA-N 2 2 389.500 0.646 20 0 GCADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061702 1194983592 /nfs/dbraw/zinc/98/35/92/1194983592.db2.gz HYNLNGPJIZBYJY-KRWDZBQOSA-N 2 2 389.500 0.646 20 0 GCADLP c1cn([C@@H]2CCC[NH+](CC3(C[N@@H+]4CCC[C@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503869 1194993517 /nfs/dbraw/zinc/99/35/17/1194993517.db2.gz JXPGWVWNLNNOCU-HDICACEKSA-N 2 2 386.504 0.860 20 0 GCADLP c1cn([C@@H]2CCC[NH+](CC3(C[N@H+]4CCC[C@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503869 1194993518 /nfs/dbraw/zinc/99/35/18/1194993518.db2.gz JXPGWVWNLNNOCU-HDICACEKSA-N 2 2 386.504 0.860 20 0 GCADLP c1cn([C@@H]2CCC[N@@H+](CC3(C[NH+]4CCC[C@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503869 1194993521 /nfs/dbraw/zinc/99/35/21/1194993521.db2.gz JXPGWVWNLNNOCU-HDICACEKSA-N 2 2 386.504 0.860 20 0 GCADLP c1cn([C@@H]2CCC[N@H+](CC3(C[NH+]4CCC[C@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503869 1194993524 /nfs/dbraw/zinc/99/35/24/1194993524.db2.gz JXPGWVWNLNNOCU-HDICACEKSA-N 2 2 386.504 0.860 20 0 GCADLP COc1cc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccn1 ZINC000516098648 1195022665 /nfs/dbraw/zinc/02/26/65/1195022665.db2.gz QCBOLDMRAAFTSV-UHFFFAOYSA-N 2 2 389.500 0.381 20 0 GCADLP Cc1nnc([C@@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000516114321 1195022756 /nfs/dbraw/zinc/02/27/56/1195022756.db2.gz DWUATIKZXZVIRH-GFCCVEGCSA-N 2 2 382.534 0.508 20 0 GCADLP Cc1nnc([C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000516114321 1195022758 /nfs/dbraw/zinc/02/27/58/1195022758.db2.gz DWUATIKZXZVIRH-GFCCVEGCSA-N 2 2 382.534 0.508 20 0 GCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333697760 1195035081 /nfs/dbraw/zinc/03/50/81/1195035081.db2.gz DJGASXNOWMOWLZ-FUHWJXTLSA-N 2 2 378.517 0.443 20 0 GCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333697760 1195035083 /nfs/dbraw/zinc/03/50/83/1195035083.db2.gz DJGASXNOWMOWLZ-FUHWJXTLSA-N 2 2 378.517 0.443 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000517133276 1195140168 /nfs/dbraw/zinc/14/01/68/1195140168.db2.gz BGAZKTUDEPMJMO-GOSISDBHSA-N 2 2 390.532 0.824 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000517133276 1195140171 /nfs/dbraw/zinc/14/01/71/1195140171.db2.gz BGAZKTUDEPMJMO-GOSISDBHSA-N 2 2 390.532 0.824 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000425870423 1195142875 /nfs/dbraw/zinc/14/28/75/1195142875.db2.gz WGZNJOYLCHGNIZ-SFHVURJKSA-N 2 2 390.528 0.975 20 0 GCADLP C[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[NH+]1CC(C)C1 ZINC000517173510 1195146671 /nfs/dbraw/zinc/14/66/71/1195146671.db2.gz ZENFJVIXQIBFCQ-KRWDZBQOSA-N 2 2 380.533 0.404 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000517263671 1195163820 /nfs/dbraw/zinc/16/38/20/1195163820.db2.gz UNWMVVPJYMCHOF-GOSISDBHSA-N 2 2 380.533 0.689 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000517263671 1195163825 /nfs/dbraw/zinc/16/38/25/1195163825.db2.gz UNWMVVPJYMCHOF-GOSISDBHSA-N 2 2 380.533 0.689 20 0 GCADLP COC(=O)[C@@H](O)C1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000437998604 1195180759 /nfs/dbraw/zinc/18/07/59/1195180759.db2.gz JFXODAOJQOYLGR-SFHVURJKSA-N 2 2 396.532 0.501 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000517566063 1195194012 /nfs/dbraw/zinc/19/40/12/1195194012.db2.gz KQVRKXYYSPNUHV-UHFFFAOYSA-N 2 2 388.516 0.856 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CC[NH+](CC2CC2)CC1 ZINC000438318599 1195206460 /nfs/dbraw/zinc/20/64/60/1195206460.db2.gz DUYCARIOZPGKMC-UHFFFAOYSA-N 2 2 376.505 1.211 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000517974105 1195233182 /nfs/dbraw/zinc/23/31/82/1195233182.db2.gz VHJJIJSORNXZBJ-KRWDZBQOSA-N 2 2 385.512 0.278 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000517974105 1195233185 /nfs/dbraw/zinc/23/31/85/1195233185.db2.gz VHJJIJSORNXZBJ-KRWDZBQOSA-N 2 2 385.512 0.278 20 0 GCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC000426100573 1195233787 /nfs/dbraw/zinc/23/37/87/1195233787.db2.gz FLYBIMLEHOIDCW-CYBMUJFWSA-N 2 2 394.438 0.214 20 0 GCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC000426100573 1195233791 /nfs/dbraw/zinc/23/37/91/1195233791.db2.gz FLYBIMLEHOIDCW-CYBMUJFWSA-N 2 2 394.438 0.214 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000518137663 1195251630 /nfs/dbraw/zinc/25/16/30/1195251630.db2.gz YSOPCIWTTOQRDA-VQTJNVASSA-N 2 2 387.528 0.577 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000518137663 1195251632 /nfs/dbraw/zinc/25/16/32/1195251632.db2.gz YSOPCIWTTOQRDA-VQTJNVASSA-N 2 2 387.528 0.577 20 0 GCADLP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638601773 1195298062 /nfs/dbraw/zinc/29/80/62/1195298062.db2.gz GYZNXEIHVZWPJH-UHFFFAOYSA-N 2 2 399.557 0.624 20 0 GCADLP CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000439639447 1195338588 /nfs/dbraw/zinc/33/85/88/1195338588.db2.gz KRXBDPWIFDJFLD-KRWDZBQOSA-N 2 2 383.537 0.291 20 0 GCADLP CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000439639447 1195338590 /nfs/dbraw/zinc/33/85/90/1195338590.db2.gz KRXBDPWIFDJFLD-KRWDZBQOSA-N 2 2 383.537 0.291 20 0 GCADLP CCCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000439646606 1195339542 /nfs/dbraw/zinc/33/95/42/1195339542.db2.gz LBYGRUQRXNDDTP-WBVHZDCISA-N 2 2 389.562 0.501 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C1)CC2 ZINC000519139780 1195372698 /nfs/dbraw/zinc/37/26/98/1195372698.db2.gz ZMDITSYLZXLHLM-ZWKOTPCHSA-N 2 2 399.495 0.749 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C1)CC2 ZINC000519139780 1195372703 /nfs/dbraw/zinc/37/27/03/1195372703.db2.gz ZMDITSYLZXLHLM-ZWKOTPCHSA-N 2 2 399.495 0.749 20 0 GCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC[NH+]2CCOC[C@H]2C)CC1 ZINC000519208564 1195380601 /nfs/dbraw/zinc/38/06/01/1195380601.db2.gz AIBXDWJCLFQMHM-CEXWTWQISA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCC[NH+]2CCOC[C@H]2C)CC1 ZINC000519208564 1195380606 /nfs/dbraw/zinc/38/06/06/1195380606.db2.gz AIBXDWJCLFQMHM-CEXWTWQISA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000519208564 1195380610 /nfs/dbraw/zinc/38/06/10/1195380610.db2.gz AIBXDWJCLFQMHM-CEXWTWQISA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000519208564 1195380614 /nfs/dbraw/zinc/38/06/14/1195380614.db2.gz AIBXDWJCLFQMHM-CEXWTWQISA-N 2 2 381.565 0.907 20 0 GCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000440262363 1195396710 /nfs/dbraw/zinc/39/67/10/1195396710.db2.gz BTBAHHYULTXDME-KRWDZBQOSA-N 2 2 387.528 0.925 20 0 GCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000440262363 1195396714 /nfs/dbraw/zinc/39/67/14/1195396714.db2.gz BTBAHHYULTXDME-KRWDZBQOSA-N 2 2 387.528 0.925 20 0 GCADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000187546378 1195418977 /nfs/dbraw/zinc/41/89/77/1195418977.db2.gz FIFVXKUIVULBGO-MRXNPFEDSA-N 2 2 376.501 0.992 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000519546715 1195428232 /nfs/dbraw/zinc/42/82/32/1195428232.db2.gz ABALFBFYCGKFQS-MRXNPFEDSA-N 2 2 377.489 0.473 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000519546715 1195428234 /nfs/dbraw/zinc/42/82/34/1195428234.db2.gz ABALFBFYCGKFQS-MRXNPFEDSA-N 2 2 377.489 0.473 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550204633 1195461303 /nfs/dbraw/zinc/46/13/03/1195461303.db2.gz TXEVWJVHIAUQDM-IYBDPMFKSA-N 2 2 398.548 0.217 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550204633 1195461305 /nfs/dbraw/zinc/46/13/05/1195461305.db2.gz TXEVWJVHIAUQDM-IYBDPMFKSA-N 2 2 398.548 0.217 20 0 GCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000647964554 1195472446 /nfs/dbraw/zinc/47/24/46/1195472446.db2.gz OTXCOBGAVNUQAZ-QGZVFWFLSA-N 2 2 378.521 0.136 20 0 GCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000647964554 1195472451 /nfs/dbraw/zinc/47/24/51/1195472451.db2.gz OTXCOBGAVNUQAZ-QGZVFWFLSA-N 2 2 378.521 0.136 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000427041340 1195502977 /nfs/dbraw/zinc/50/29/77/1195502977.db2.gz RGVXQYUQWJGJOO-INIZCTEOSA-N 2 2 388.512 0.787 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000427041340 1195502981 /nfs/dbraw/zinc/50/29/81/1195502981.db2.gz RGVXQYUQWJGJOO-INIZCTEOSA-N 2 2 388.512 0.787 20 0 GCADLP CN1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000519632541 1195560030 /nfs/dbraw/zinc/56/00/30/1195560030.db2.gz PJJSYSIMGZLDSQ-GOSISDBHSA-N 2 2 388.516 0.374 20 0 GCADLP CN1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000519753535 1195569360 /nfs/dbraw/zinc/56/93/60/1195569360.db2.gz VIPCLUOARFSUKQ-SFHVURJKSA-N 2 2 391.516 0.182 20 0 GCADLP COC(=O)[C@@H](O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000441242370 1195614076 /nfs/dbraw/zinc/61/40/76/1195614076.db2.gz DYXFELQGTAEMKX-FQEVSTJZSA-N 2 2 389.496 0.577 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000520301682 1195618984 /nfs/dbraw/zinc/61/89/84/1195618984.db2.gz OTKJIEAKDKEHOQ-SFHVURJKSA-N 2 2 395.548 0.435 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000520301681 1195619126 /nfs/dbraw/zinc/61/91/26/1195619126.db2.gz OTKJIEAKDKEHOQ-GOSISDBHSA-N 2 2 395.548 0.435 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)n2)CC1 ZINC000427561840 1195634906 /nfs/dbraw/zinc/63/49/06/1195634906.db2.gz DUXMRQSKUZXQER-KRWDZBQOSA-N 2 2 398.467 1.163 20 0 GCADLP CC(C)Nc1nc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc(NCCO)[nH+]1 ZINC000550345596 1195639227 /nfs/dbraw/zinc/63/92/27/1195639227.db2.gz GXIXHPXLSNCUAM-HNNXBMFYSA-N 2 2 389.504 0.594 20 0 GCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328822191 1195667215 /nfs/dbraw/zinc/66/72/15/1195667215.db2.gz IAWBLQPCMQEVPC-RYRKJORJSA-N 2 2 375.517 0.848 20 0 GCADLP CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000330775350 1195707045 /nfs/dbraw/zinc/70/70/45/1195707045.db2.gz SBTWGTAUFYOYOV-UHFFFAOYSA-N 2 2 388.578 0.721 20 0 GCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188945967 1195741308 /nfs/dbraw/zinc/74/13/08/1195741308.db2.gz NMBKWBQJPBIQHP-ZWKOTPCHSA-N 2 2 383.581 0.747 20 0 GCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188945967 1195741312 /nfs/dbraw/zinc/74/13/12/1195741312.db2.gz NMBKWBQJPBIQHP-ZWKOTPCHSA-N 2 2 383.581 0.747 20 0 GCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1C ZINC000550414024 1195755370 /nfs/dbraw/zinc/75/53/70/1195755370.db2.gz HJSWLVBOEADHLG-MRXNPFEDSA-N 2 2 386.500 0.391 20 0 GCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647986069 1195756654 /nfs/dbraw/zinc/75/66/54/1195756654.db2.gz AGRCEVJAFZYWOJ-AWEZNQCLSA-N 2 2 396.513 0.268 20 0 GCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647986069 1195756657 /nfs/dbraw/zinc/75/66/57/1195756657.db2.gz AGRCEVJAFZYWOJ-AWEZNQCLSA-N 2 2 396.513 0.268 20 0 GCADLP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000520514651 1195778123 /nfs/dbraw/zinc/77/81/23/1195778123.db2.gz SVHGWBQFKSJQQR-KURKYZTESA-N 2 2 380.533 0.546 20 0 GCADLP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000520514651 1195778128 /nfs/dbraw/zinc/77/81/28/1195778128.db2.gz SVHGWBQFKSJQQR-KURKYZTESA-N 2 2 380.533 0.546 20 0 GCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)CC1 ZINC000093191923 1195785079 /nfs/dbraw/zinc/78/50/79/1195785079.db2.gz VXDWUJYWGSPHCE-UHFFFAOYSA-N 2 2 378.542 0.893 20 0 GCADLP [NH3+][C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000417614719 1195793900 /nfs/dbraw/zinc/79/39/00/1195793900.db2.gz BNKRTLMPFYRQIC-CVEARBPZSA-N 2 2 389.504 0.415 20 0 GCADLP [NH3+][C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000417614719 1195793904 /nfs/dbraw/zinc/79/39/04/1195793904.db2.gz BNKRTLMPFYRQIC-CVEARBPZSA-N 2 2 389.504 0.415 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000665127618 1195799513 /nfs/dbraw/zinc/79/95/13/1195799513.db2.gz IRWDWRDMMAPGCZ-ROUUACIJSA-N 2 2 397.564 0.191 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000665127618 1195799515 /nfs/dbraw/zinc/79/95/15/1195799515.db2.gz IRWDWRDMMAPGCZ-ROUUACIJSA-N 2 2 397.564 0.191 20 0 GCADLP COCC[NH+]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000193091719 1195808024 /nfs/dbraw/zinc/80/80/24/1195808024.db2.gz HEWSJMMTLSUAFP-UHFFFAOYSA-N 2 2 376.505 0.307 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000520642809 1195810658 /nfs/dbraw/zinc/81/06/58/1195810658.db2.gz XXZPALYGUUCCNK-QGZVFWFLSA-N 2 2 376.501 0.414 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000520642809 1195810665 /nfs/dbraw/zinc/81/06/65/1195810665.db2.gz XXZPALYGUUCCNK-QGZVFWFLSA-N 2 2 376.501 0.414 20 0 GCADLP O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000520819480 1195925862 /nfs/dbraw/zinc/92/58/62/1195925862.db2.gz BLAFZCZLWMBLLH-PMACEKPBSA-N 2 2 384.524 0.807 20 0 GCADLP C[C@H](c1cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000441853545 1195926162 /nfs/dbraw/zinc/92/61/62/1195926162.db2.gz WOBYXTPJVIKJKS-MRXNPFEDSA-N 2 2 392.500 0.713 20 0 GCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000442274953 1195970004 /nfs/dbraw/zinc/97/00/04/1195970004.db2.gz WXCJSDSQUNWAIL-KBPBESRZSA-N 2 2 375.473 0.676 20 0 GCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000442274953 1195970005 /nfs/dbraw/zinc/97/00/05/1195970005.db2.gz WXCJSDSQUNWAIL-KBPBESRZSA-N 2 2 375.473 0.676 20 0 GCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000442292402 1195972953 /nfs/dbraw/zinc/97/29/53/1195972953.db2.gz MMLUEZKQAQKLCH-IAGOWNOFSA-N 2 2 387.528 0.924 20 0 GCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000442292402 1195972955 /nfs/dbraw/zinc/97/29/55/1195972955.db2.gz MMLUEZKQAQKLCH-IAGOWNOFSA-N 2 2 387.528 0.924 20 0 GCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442790598 1196004388 /nfs/dbraw/zinc/00/43/88/1196004388.db2.gz LWPKRKZQSDGQLY-CABCVRRESA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442790598 1196004390 /nfs/dbraw/zinc/00/43/90/1196004390.db2.gz LWPKRKZQSDGQLY-CABCVRRESA-N 2 2 396.513 0.315 20 0 GCADLP O=C(C[N@@H+]1CCCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1)N1CCCC1 ZINC000521618574 1196007551 /nfs/dbraw/zinc/00/75/51/1196007551.db2.gz RXILDUNDAXXZBN-GOSISDBHSA-N 2 2 388.516 0.578 20 0 GCADLP O=C(C[N@H+]1CCCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1)N1CCCC1 ZINC000521618574 1196007555 /nfs/dbraw/zinc/00/75/55/1196007555.db2.gz RXILDUNDAXXZBN-GOSISDBHSA-N 2 2 388.516 0.578 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000522017972 1196036156 /nfs/dbraw/zinc/03/61/56/1196036156.db2.gz NMZLPUAAIWUOIQ-AEFFLSMTSA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000522017972 1196036158 /nfs/dbraw/zinc/03/61/58/1196036158.db2.gz NMZLPUAAIWUOIQ-AEFFLSMTSA-N 2 2 380.533 0.593 20 0 GCADLP CN(C(=O)[C@H]1CCCCC[NH2+]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000522059836 1196041274 /nfs/dbraw/zinc/04/12/74/1196041274.db2.gz CDYPVPUMXFHQQS-GOSISDBHSA-N 3 2 379.549 0.215 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CC(=O)Nc1cc(C)nn1C ZINC001087578257 1196050039 /nfs/dbraw/zinc/05/00/39/1196050039.db2.gz KQFGPLAIUBKHMJ-WCXIOVBPSA-N 2 2 390.532 0.976 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CC(=O)Nc1cc(C)nn1C ZINC001087578257 1196050042 /nfs/dbraw/zinc/05/00/42/1196050042.db2.gz KQFGPLAIUBKHMJ-WCXIOVBPSA-N 2 2 390.532 0.976 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC(=O)Nc1cc(C)nn1C ZINC001087578257 1196050045 /nfs/dbraw/zinc/05/00/45/1196050045.db2.gz KQFGPLAIUBKHMJ-WCXIOVBPSA-N 2 2 390.532 0.976 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC(=O)Nc1cc(C)nn1C ZINC001087578257 1196050047 /nfs/dbraw/zinc/05/00/47/1196050047.db2.gz KQFGPLAIUBKHMJ-WCXIOVBPSA-N 2 2 390.532 0.976 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(Cc4ncc[nH]4)CC3)CC2)CC1 ZINC000522221480 1196063039 /nfs/dbraw/zinc/06/30/39/1196063039.db2.gz HKCKJIUKOCMEAS-UHFFFAOYSA-N 2 2 389.548 0.796 20 0 GCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000550513267 1196070674 /nfs/dbraw/zinc/07/06/74/1196070674.db2.gz GGKDJESCXWSSNK-UHFFFAOYSA-N 2 2 395.592 0.709 20 0 GCADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000191519274 1196087338 /nfs/dbraw/zinc/08/73/38/1196087338.db2.gz LDDXSEBOVKHFBV-CYBMUJFWSA-N 2 2 390.488 0.409 20 0 GCADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000191519274 1196087340 /nfs/dbraw/zinc/08/73/40/1196087340.db2.gz LDDXSEBOVKHFBV-CYBMUJFWSA-N 2 2 390.488 0.409 20 0 GCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000550576526 1196092020 /nfs/dbraw/zinc/09/20/20/1196092020.db2.gz HLLHVUYFGQWWEB-HOTGVXAUSA-N 2 2 380.533 0.545 20 0 GCADLP O=C(C[N@@H+]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1)N1CCCC1 ZINC000895625587 1196104626 /nfs/dbraw/zinc/10/46/26/1196104626.db2.gz DAUWRHNYXPQMQV-UHFFFAOYSA-N 2 2 378.517 0.254 20 0 GCADLP O=C(C[N@H+]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1)N1CCCC1 ZINC000895625587 1196104629 /nfs/dbraw/zinc/10/46/29/1196104629.db2.gz DAUWRHNYXPQMQV-UHFFFAOYSA-N 2 2 378.517 0.254 20 0 GCADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895686027 1196107935 /nfs/dbraw/zinc/10/79/35/1196107935.db2.gz QFWHOGUGWJBPHD-QGZVFWFLSA-N 2 2 386.496 0.669 20 0 GCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895892548 1196117133 /nfs/dbraw/zinc/11/71/33/1196117133.db2.gz IHDZZUKRSKZFPM-IBGZPJMESA-N 2 2 389.496 0.735 20 0 GCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895944046 1196119592 /nfs/dbraw/zinc/11/95/92/1196119592.db2.gz MNZPKLDXUJENOM-LJQANCHMSA-N 2 2 389.496 0.735 20 0 GCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000896203723 1196133045 /nfs/dbraw/zinc/13/30/45/1196133045.db2.gz OHTWJMQODRYRJA-HXUWFJFHSA-N 2 2 390.528 0.952 20 0 GCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000896203723 1196133048 /nfs/dbraw/zinc/13/30/48/1196133048.db2.gz OHTWJMQODRYRJA-HXUWFJFHSA-N 2 2 390.528 0.952 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC[NH+]3CCC(O)CC3)C2)c1 ZINC000896232369 1196136837 /nfs/dbraw/zinc/13/68/37/1196136837.db2.gz WVTQWHBTTAXCEK-HXUWFJFHSA-N 2 2 390.528 0.952 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCC[NH+]3CCC(O)CC3)C2)c1 ZINC000896232369 1196136839 /nfs/dbraw/zinc/13/68/39/1196136839.db2.gz WVTQWHBTTAXCEK-HXUWFJFHSA-N 2 2 390.528 0.952 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)CC1 ZINC000896273914 1196139960 /nfs/dbraw/zinc/13/99/60/1196139960.db2.gz LYVGGWGNUHKJSK-LJQANCHMSA-N 2 2 392.544 0.500 20 0 GCADLP C[C@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896553163 1196162599 /nfs/dbraw/zinc/16/25/99/1196162599.db2.gz RVMHLTJBHDVLRO-RDJZCZTQSA-N 2 2 397.564 0.726 20 0 GCADLP C[C@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896553163 1196162601 /nfs/dbraw/zinc/16/26/01/1196162601.db2.gz RVMHLTJBHDVLRO-RDJZCZTQSA-N 2 2 397.564 0.726 20 0 GCADLP O=C1[C@@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCCN1CC(F)(F)F ZINC000329387827 1196191168 /nfs/dbraw/zinc/19/11/68/1196191168.db2.gz RBUHNHYPTMFMPV-AWEZNQCLSA-N 2 2 379.423 0.699 20 0 GCADLP C[C@@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329651285 1196215579 /nfs/dbraw/zinc/21/55/79/1196215579.db2.gz CSLUJFFXMRFZHX-HZPDHXFCSA-N 2 2 393.532 0.438 20 0 GCADLP CN(C(=O)[C@@]1(C)CCCOC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329704658 1196224593 /nfs/dbraw/zinc/22/45/93/1196224593.db2.gz JPBLREPNKIRMOX-FQEVSTJZSA-N 2 2 380.533 0.500 20 0 GCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329872963 1196235483 /nfs/dbraw/zinc/23/54/83/1196235483.db2.gz DLWCGKZZBIVUND-QZTJIDSGSA-N 3 2 393.576 0.556 20 0 GCADLP C[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000329878902 1196235864 /nfs/dbraw/zinc/23/58/64/1196235864.db2.gz LMSJFGFGVORHOJ-QGZVFWFLSA-N 2 2 387.528 0.882 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000330230199 1196260596 /nfs/dbraw/zinc/26/05/96/1196260596.db2.gz WJJJIBPHJFNVRS-RCCFBDPRSA-N 2 2 378.517 0.110 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000330230199 1196260599 /nfs/dbraw/zinc/26/05/99/1196260599.db2.gz WJJJIBPHJFNVRS-RCCFBDPRSA-N 2 2 378.517 0.110 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000281374002 1196292106 /nfs/dbraw/zinc/29/21/06/1196292106.db2.gz WVWUVRHTIVFPPO-UHFFFAOYSA-N 2 2 380.514 0.622 20 0 GCADLP COCC1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]CC1 ZINC000262407611 1196358913 /nfs/dbraw/zinc/35/89/13/1196358913.db2.gz RXTFASZXMGQNJY-UHFFFAOYSA-N 2 2 389.500 0.253 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000522966849 1196371102 /nfs/dbraw/zinc/37/11/02/1196371102.db2.gz BBCHBUALUGYUJW-UHFFFAOYSA-N 2 2 382.530 0.573 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000522966849 1196371107 /nfs/dbraw/zinc/37/11/07/1196371107.db2.gz BBCHBUALUGYUJW-UHFFFAOYSA-N 2 2 382.530 0.573 20 0 GCADLP C[NH+]1CCC(CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000103308321 1196375131 /nfs/dbraw/zinc/37/51/31/1196375131.db2.gz RMCAOBLHSYEJKH-UHFFFAOYSA-N 2 2 375.521 0.630 20 0 GCADLP O=S1(=O)NC[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN21 ZINC000897282094 1196438447 /nfs/dbraw/zinc/43/84/47/1196438447.db2.gz AYCOCNFXHVOJTA-QGZVFWFLSA-N 2 2 380.514 0.495 20 0 GCADLP O=S1(=O)NC[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN21 ZINC000897282094 1196438448 /nfs/dbraw/zinc/43/84/48/1196438448.db2.gz AYCOCNFXHVOJTA-QGZVFWFLSA-N 2 2 380.514 0.495 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000302878261 1196448685 /nfs/dbraw/zinc/44/86/85/1196448685.db2.gz GJFPLWPHMAVKGI-QGZVFWFLSA-N 2 2 388.516 0.572 20 0 GCADLP C[C@H](CC[NH+](C)C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523316837 1196514635 /nfs/dbraw/zinc/51/46/35/1196514635.db2.gz YODSTMYXAJQXEO-MRXNPFEDSA-N 2 2 376.505 0.760 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000523452278 1196524826 /nfs/dbraw/zinc/52/48/26/1196524826.db2.gz HKUJHEKDEAHGRV-SFHVURJKSA-N 2 2 379.549 0.169 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000523452278 1196524832 /nfs/dbraw/zinc/52/48/32/1196524832.db2.gz HKUJHEKDEAHGRV-SFHVURJKSA-N 2 2 379.549 0.169 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000925167486 1196567540 /nfs/dbraw/zinc/56/75/40/1196567540.db2.gz QJODQJAZAQGXHT-DLBZAZTESA-N 2 2 386.562 0.556 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925167486 1196567546 /nfs/dbraw/zinc/56/75/46/1196567546.db2.gz QJODQJAZAQGXHT-DLBZAZTESA-N 2 2 386.562 0.556 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000446256618 1196629402 /nfs/dbraw/zinc/62/94/02/1196629402.db2.gz BNNFCNVYDSPYJH-HGHGUNKESA-N 2 2 392.544 0.676 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000446256618 1196629404 /nfs/dbraw/zinc/62/94/04/1196629404.db2.gz BNNFCNVYDSPYJH-HGHGUNKESA-N 2 2 392.544 0.676 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000446291054 1196631411 /nfs/dbraw/zinc/63/14/11/1196631411.db2.gz GJDPFDVPVCLIIQ-QXGSTGNESA-N 2 2 383.558 0.843 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000446291053 1196631440 /nfs/dbraw/zinc/63/14/40/1196631440.db2.gz GJDPFDVPVCLIIQ-QGWWYQLQSA-N 2 2 383.558 0.843 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000446291052 1196631635 /nfs/dbraw/zinc/63/16/35/1196631635.db2.gz GJDPFDVPVCLIIQ-OSGQAZFXSA-N 2 2 383.558 0.843 20 0 GCADLP C[NH+](C)C1(CS(=O)(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000631900075 1196678372 /nfs/dbraw/zinc/67/83/72/1196678372.db2.gz HDEKFDHMEDVRDF-UHFFFAOYSA-N 2 2 396.561 0.392 20 0 GCADLP Cn1nccc1N1CCC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000447077583 1196690816 /nfs/dbraw/zinc/69/08/16/1196690816.db2.gz QPHNIFACOJSTOW-IBGZPJMESA-N 2 2 376.549 0.775 20 0 GCADLP Cc1cn2c(ncc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2=O)s1 ZINC000367373115 1196700613 /nfs/dbraw/zinc/70/06/13/1196700613.db2.gz WTBIBFVGPOHBJJ-ZDUSSCGKSA-N 2 2 375.498 0.963 20 0 GCADLP Cc1cn2c(ncc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2=O)s1 ZINC000367373115 1196700618 /nfs/dbraw/zinc/70/06/18/1196700618.db2.gz WTBIBFVGPOHBJJ-ZDUSSCGKSA-N 2 2 375.498 0.963 20 0 GCADLP Cc1cc(N2CCN(C(=O)C[NH2+][C@@H](CO)[C@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000447907683 1196756179 /nfs/dbraw/zinc/75/61/79/1196756179.db2.gz ALGUWRASAFCATE-DLBZAZTESA-N 2 2 391.516 0.687 20 0 GCADLP CN(C(=O)[C@H]1CCC[C@@H](O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000527129621 1196765863 /nfs/dbraw/zinc/76/58/63/1196765863.db2.gz LSTZFTJXIXRGRE-FUHWJXTLSA-N 2 2 380.533 0.234 20 0 GCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528451995 1196860609 /nfs/dbraw/zinc/86/06/09/1196860609.db2.gz QAJVSWHUSMYKKD-LJCCNALRSA-N 2 2 394.560 0.743 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528712129 1196880485 /nfs/dbraw/zinc/88/04/85/1196880485.db2.gz BROIWRZZZXEPSF-UHFFFAOYSA-N 2 2 396.513 0.799 20 0 GCADLP CC(=O)NCC(=O)N1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000528733442 1196884271 /nfs/dbraw/zinc/88/42/71/1196884271.db2.gz ADOAULDBOLCYPM-UHFFFAOYSA-N 2 2 388.512 0.689 20 0 GCADLP CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000528733442 1196884273 /nfs/dbraw/zinc/88/42/73/1196884273.db2.gz ADOAULDBOLCYPM-UHFFFAOYSA-N 2 2 388.512 0.689 20 0 GCADLP CC[C@H](C)[C@H](OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000475657133 1196886274 /nfs/dbraw/zinc/88/62/74/1196886274.db2.gz SGFOCLGJYPVJDX-LPHOPBHVSA-N 2 2 382.549 0.744 20 0 GCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000529294771 1196911278 /nfs/dbraw/zinc/91/12/78/1196911278.db2.gz ZSCJKSWNVLCYAI-LJQANCHMSA-N 2 2 375.517 0.612 20 0 GCADLP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000529374603 1196920075 /nfs/dbraw/zinc/92/00/75/1196920075.db2.gz GEGSDRQBVSKXKE-QRQLOZEOSA-N 3 2 381.565 0.953 20 0 GCADLP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000529374603 1196920076 /nfs/dbraw/zinc/92/00/76/1196920076.db2.gz GEGSDRQBVSKXKE-QRQLOZEOSA-N 3 2 381.565 0.953 20 0 GCADLP COC[C@@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000451928473 1197024754 /nfs/dbraw/zinc/02/47/54/1197024754.db2.gz OTDPMWOYPLYOEC-NRFANRHFSA-N 2 2 375.513 0.970 20 0 GCADLP COC[C@@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000451928473 1197024757 /nfs/dbraw/zinc/02/47/57/1197024757.db2.gz OTDPMWOYPLYOEC-NRFANRHFSA-N 2 2 375.513 0.970 20 0 GCADLP CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000451943615 1197025649 /nfs/dbraw/zinc/02/56/49/1197025649.db2.gz KGUHINOGBHQCPO-RTBURBONSA-N 2 2 377.485 0.529 20 0 GCADLP C[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000530936822 1197028762 /nfs/dbraw/zinc/02/87/62/1197028762.db2.gz WTMRSUODLNVCPW-MRXNPFEDSA-N 2 2 390.532 0.220 20 0 GCADLP CNc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)[nH+]c(NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000531823578 1197099583 /nfs/dbraw/zinc/09/95/83/1197099583.db2.gz MYICSLJEJVDJBY-IRXDYDNUSA-N 3 2 390.580 0.463 20 0 GCADLP CNc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)[nH+]c(NC[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000531823578 1197099587 /nfs/dbraw/zinc/09/95/87/1197099587.db2.gz MYICSLJEJVDJBY-IRXDYDNUSA-N 3 2 390.580 0.463 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190220079 1197240327 /nfs/dbraw/zinc/24/03/27/1197240327.db2.gz LCRXLLFDKIZEQY-NQIIRXRSSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190220079 1197240328 /nfs/dbraw/zinc/24/03/28/1197240328.db2.gz LCRXLLFDKIZEQY-NQIIRXRSSA-N 2 2 390.528 0.986 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000064022411 1197241642 /nfs/dbraw/zinc/24/16/42/1197241642.db2.gz OVCPAVQXUVZSON-RTBURBONSA-N 2 2 388.512 0.586 20 0 GCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000192176874 1197245804 /nfs/dbraw/zinc/24/58/04/1197245804.db2.gz QPIMXMQJWPGPES-MSOLQXFVSA-N 2 2 381.565 0.765 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666239836 1197250900 /nfs/dbraw/zinc/25/09/00/1197250900.db2.gz OPHMZSMUZAGTIO-SFHVURJKSA-N 2 2 392.504 0.590 20 0 GCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000729605853 1197261223 /nfs/dbraw/zinc/26/12/23/1197261223.db2.gz MNJCJMVCEWWBAR-GBESFXJTSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000729605853 1197261225 /nfs/dbraw/zinc/26/12/25/1197261225.db2.gz MNJCJMVCEWWBAR-GBESFXJTSA-N 2 2 381.565 0.907 20 0 GCADLP COc1cc[nH+]c(N2CCN(C(=O)NCCCCN3CC[NH+](C)CC3)CC2)c1 ZINC000103854445 1197280852 /nfs/dbraw/zinc/28/08/52/1197280852.db2.gz YEKHNUPNHBNAJE-UHFFFAOYSA-N 2 2 390.532 0.949 20 0 GCADLP C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000170956740 1197308399 /nfs/dbraw/zinc/30/83/99/1197308399.db2.gz BZHUPIXMTUNWQV-HOCLYGCPSA-N 2 2 387.488 0.247 20 0 GCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC3CC[NH+](CCCOC)CC3)C2)CC1 ZINC000106557280 1197326942 /nfs/dbraw/zinc/32/69/42/1197326942.db2.gz NCJOWXQOAGZXDN-LJQANCHMSA-N 2 2 381.565 0.909 20 0 GCADLP CCOCC[NH+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000106104780 1197327078 /nfs/dbraw/zinc/32/70/78/1197327078.db2.gz LTUHBJLOWRQZNB-UHFFFAOYSA-N 2 2 396.576 0.792 20 0 GCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000112212914 1197333674 /nfs/dbraw/zinc/33/36/74/1197333674.db2.gz VDKZETCYTNDRMZ-GOSISDBHSA-N 2 2 381.565 0.766 20 0 GCADLP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897463807 1197338970 /nfs/dbraw/zinc/33/89/70/1197338970.db2.gz IBQNMXOCNZJGRL-LJQANCHMSA-N 2 2 399.495 0.969 20 0 GCADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000897467325 1197340482 /nfs/dbraw/zinc/34/04/82/1197340482.db2.gz AHGUCFVVGHPWRV-HKUYNNGSSA-N 2 2 387.528 0.524 20 0 GCADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000897467325 1197340484 /nfs/dbraw/zinc/34/04/84/1197340484.db2.gz AHGUCFVVGHPWRV-HKUYNNGSSA-N 2 2 387.528 0.524 20 0 GCADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000897467327 1197340514 /nfs/dbraw/zinc/34/05/14/1197340514.db2.gz AHGUCFVVGHPWRV-MJGOQNOKSA-N 2 2 387.528 0.524 20 0 GCADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000897467327 1197340516 /nfs/dbraw/zinc/34/05/16/1197340516.db2.gz AHGUCFVVGHPWRV-MJGOQNOKSA-N 2 2 387.528 0.524 20 0 GCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000123547927 1197351091 /nfs/dbraw/zinc/35/10/91/1197351091.db2.gz FOCJGUCDRYOWSY-CQSZACIVSA-N 2 2 391.497 0.961 20 0 GCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000123547927 1197351094 /nfs/dbraw/zinc/35/10/94/1197351094.db2.gz FOCJGUCDRYOWSY-CQSZACIVSA-N 2 2 391.497 0.961 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)CC1 ZINC000124426627 1197352716 /nfs/dbraw/zinc/35/27/16/1197352716.db2.gz FMTGKRLNOJZVAE-HDICACEKSA-N 2 2 390.528 0.836 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000126297251 1197357028 /nfs/dbraw/zinc/35/70/28/1197357028.db2.gz UUBOWSILGTXWGD-JKSUJKDBSA-N 2 2 394.541 0.648 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000128168396 1197363209 /nfs/dbraw/zinc/36/32/09/1197363209.db2.gz ZPWPOCHZWBMYEY-KRWDZBQOSA-N 2 2 386.500 0.610 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C[NH3+] ZINC000418840937 1197368001 /nfs/dbraw/zinc/36/80/01/1197368001.db2.gz YQCMAGIMAHHANT-QRQLOZEOSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C[NH3+] ZINC000418840937 1197368004 /nfs/dbraw/zinc/36/80/04/1197368004.db2.gz YQCMAGIMAHHANT-QRQLOZEOSA-N 2 2 388.512 0.589 20 0 GCADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000666692021 1197375530 /nfs/dbraw/zinc/37/55/30/1197375530.db2.gz SPHNSHUWLNSSDR-KRWDZBQOSA-N 2 2 388.468 0.430 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000050798589 1197381376 /nfs/dbraw/zinc/38/13/76/1197381376.db2.gz VCQDRVLOIPDJHP-HNNXBMFYSA-N 2 2 386.562 0.333 20 0 GCADLP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(=O)N1CCCCC1 ZINC000051960127 1197383897 /nfs/dbraw/zinc/38/38/97/1197383897.db2.gz FHATZHSWIHZIMD-KRWDZBQOSA-N 2 2 380.533 0.548 20 0 GCADLP CC(C)(CNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCOCC1 ZINC000051957261 1197384139 /nfs/dbraw/zinc/38/41/39/1197384139.db2.gz HEKKDTFAIPXLSZ-UHFFFAOYSA-N 2 2 382.549 0.258 20 0 GCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000105212437 1197385706 /nfs/dbraw/zinc/38/57/06/1197385706.db2.gz AATALGIWKSRHDC-QGZVFWFLSA-N 2 2 388.516 0.856 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3nc(C(N)=O)cs3)CC2)CC1 ZINC000666715889 1197387201 /nfs/dbraw/zinc/38/72/01/1197387201.db2.gz NYACIDRUPVVPQL-UHFFFAOYSA-N 2 2 394.545 0.944 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3nc(C(N)=O)cs3)CC2)CC1 ZINC000666715889 1197387205 /nfs/dbraw/zinc/38/72/05/1197387205.db2.gz NYACIDRUPVVPQL-UHFFFAOYSA-N 2 2 394.545 0.944 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000193840848 1197397423 /nfs/dbraw/zinc/39/74/23/1197397423.db2.gz RFUZXCLKXNRVAA-UHFFFAOYSA-N 2 2 379.530 0.570 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000193840848 1197397425 /nfs/dbraw/zinc/39/74/25/1197397425.db2.gz RFUZXCLKXNRVAA-UHFFFAOYSA-N 2 2 379.530 0.570 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000666734565 1197398221 /nfs/dbraw/zinc/39/82/21/1197398221.db2.gz YLJXNYSLFIDYOE-OAHLLOKOSA-N 2 2 375.473 0.574 20 0 GCADLP COC[C@@]1(CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000666734220 1197398800 /nfs/dbraw/zinc/39/88/00/1197398800.db2.gz DBCYWRVXAMYUJW-FQEVSTJZSA-N 2 2 389.500 0.964 20 0 GCADLP C[N@H+](CCCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000454329031 1197407438 /nfs/dbraw/zinc/40/74/38/1197407438.db2.gz QKNNFCRXYJHBCP-UHFFFAOYSA-N 2 2 375.521 0.772 20 0 GCADLP C[N@@H+](CCCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000454329031 1197407439 /nfs/dbraw/zinc/40/74/39/1197407439.db2.gz QKNNFCRXYJHBCP-UHFFFAOYSA-N 2 2 375.521 0.772 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000454998368 1197441473 /nfs/dbraw/zinc/44/14/73/1197441473.db2.gz KFMBAIPPYIBAFG-UHFFFAOYSA-N 2 2 383.537 0.294 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000454998368 1197441474 /nfs/dbraw/zinc/44/14/74/1197441474.db2.gz KFMBAIPPYIBAFG-UHFFFAOYSA-N 2 2 383.537 0.294 20 0 GCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000454998368 1197441475 /nfs/dbraw/zinc/44/14/75/1197441475.db2.gz KFMBAIPPYIBAFG-UHFFFAOYSA-N 2 2 383.537 0.294 20 0 GCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000454998368 1197441477 /nfs/dbraw/zinc/44/14/77/1197441477.db2.gz KFMBAIPPYIBAFG-UHFFFAOYSA-N 2 2 383.537 0.294 20 0 GCADLP CN(C(=O)COCC1CCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000455488504 1197464930 /nfs/dbraw/zinc/46/49/30/1197464930.db2.gz LQBBPXOJJFSFPT-UHFFFAOYSA-N 2 2 394.560 0.890 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246348500 1197465296 /nfs/dbraw/zinc/46/52/96/1197465296.db2.gz NETSNISCKKXGPE-KZNAEPCWSA-N 2 2 379.549 0.071 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246348500 1197465297 /nfs/dbraw/zinc/46/52/97/1197465297.db2.gz NETSNISCKKXGPE-KZNAEPCWSA-N 2 2 379.549 0.071 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC1=O ZINC000246363304 1197465800 /nfs/dbraw/zinc/46/58/00/1197465800.db2.gz FLICKPXXKFASPK-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC1=O ZINC000246363304 1197465801 /nfs/dbraw/zinc/46/58/01/1197465801.db2.gz FLICKPXXKFASPK-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1=O ZINC000246363304 1197465803 /nfs/dbraw/zinc/46/58/03/1197465803.db2.gz FLICKPXXKFASPK-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)CC1=O ZINC000246363304 1197465806 /nfs/dbraw/zinc/46/58/06/1197465806.db2.gz FLICKPXXKFASPK-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000069469255 1197468501 /nfs/dbraw/zinc/46/85/01/1197468501.db2.gz QEFDEGZNBXESFJ-KRWDZBQOSA-N 2 2 386.562 0.765 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000247304872 1197475849 /nfs/dbraw/zinc/47/58/49/1197475849.db2.gz UZYVJSHKAJNIIA-NVXWUHKLSA-N 2 2 386.562 0.621 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000247304872 1197475851 /nfs/dbraw/zinc/47/58/51/1197475851.db2.gz UZYVJSHKAJNIIA-NVXWUHKLSA-N 2 2 386.562 0.621 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000247432235 1197476442 /nfs/dbraw/zinc/47/64/42/1197476442.db2.gz LGVRKHYTFJHAED-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000247432235 1197476443 /nfs/dbraw/zinc/47/64/43/1197476443.db2.gz LGVRKHYTFJHAED-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000897528759 1197491815 /nfs/dbraw/zinc/49/18/15/1197491815.db2.gz BKOPIDXOJINNID-LJQANCHMSA-N 2 2 399.495 0.968 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666805608 1197506621 /nfs/dbraw/zinc/50/66/21/1197506621.db2.gz UPHPHMODFRWGNJ-MRXNPFEDSA-N 2 2 396.495 0.806 20 0 GCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cn2)CC1 ZINC000261921186 1197519024 /nfs/dbraw/zinc/51/90/24/1197519024.db2.gz BPYZYOBSHNKKGM-KRWDZBQOSA-N 3 2 375.521 0.048 20 0 GCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cn2)CC1 ZINC000261921186 1197519027 /nfs/dbraw/zinc/51/90/27/1197519027.db2.gz BPYZYOBSHNKKGM-KRWDZBQOSA-N 3 2 375.521 0.048 20 0 GCADLP C[NH+](C)CCn1nccc1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000455670125 1197563999 /nfs/dbraw/zinc/56/39/99/1197563999.db2.gz QCDKSALPDXFOTL-QGZVFWFLSA-N 2 2 382.534 0.774 20 0 GCADLP O=C(C[NH+]1CCC(OCCO)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000533835551 1197571777 /nfs/dbraw/zinc/57/17/77/1197571777.db2.gz XDHPQXPOHWXVGL-UHFFFAOYSA-N 2 2 391.512 0.608 20 0 GCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999561084 1198949064 /nfs/dbraw/zinc/94/90/64/1198949064.db2.gz PHDNSKZPBSBEMX-LTIDMASMSA-N 2 2 375.473 0.310 20 0 GCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999561084 1198949066 /nfs/dbraw/zinc/94/90/66/1198949066.db2.gz PHDNSKZPBSBEMX-LTIDMASMSA-N 2 2 375.473 0.310 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC[NH+]3CCSCC3)ccn2)CC1 ZINC000542687051 1198998162 /nfs/dbraw/zinc/99/81/62/1198998162.db2.gz YFAJZLZKXXHYIV-UHFFFAOYSA-N 2 2 392.529 0.640 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672014134 1199004845 /nfs/dbraw/zinc/00/48/45/1199004845.db2.gz KMOYKJXKLFITGD-JQHSSLGASA-N 2 2 380.533 0.593 20 0 GCADLP Cn1nccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795202 1199009591 /nfs/dbraw/zinc/00/95/91/1199009591.db2.gz MORUAIZKCSAAJP-WCIQWLHISA-N 2 2 383.496 0.427 20 0 GCADLP Cn1nccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795202 1199009597 /nfs/dbraw/zinc/00/95/97/1199009597.db2.gz MORUAIZKCSAAJP-WCIQWLHISA-N 2 2 383.496 0.427 20 0 GCADLP Cn1nccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795202 1199009607 /nfs/dbraw/zinc/00/96/07/1199009607.db2.gz MORUAIZKCSAAJP-WCIQWLHISA-N 2 2 383.496 0.427 20 0 GCADLP Cn1nccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795202 1199009611 /nfs/dbraw/zinc/00/96/11/1199009611.db2.gz MORUAIZKCSAAJP-WCIQWLHISA-N 2 2 383.496 0.427 20 0 GCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671365678 1199056410 /nfs/dbraw/zinc/05/64/10/1199056410.db2.gz XVRLHTMCCOFQKZ-FUHWJXTLSA-N 3 2 381.565 0.460 20 0 GCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671365678 1199056417 /nfs/dbraw/zinc/05/64/17/1199056417.db2.gz XVRLHTMCCOFQKZ-FUHWJXTLSA-N 3 2 381.565 0.460 20 0 GCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000672065787 1199057567 /nfs/dbraw/zinc/05/75/67/1199057567.db2.gz YPDZEDNOABVFEB-RYRKJORJSA-N 2 2 392.500 0.676 20 0 GCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000672065787 1199057574 /nfs/dbraw/zinc/05/75/74/1199057574.db2.gz YPDZEDNOABVFEB-RYRKJORJSA-N 2 2 392.500 0.676 20 0 GCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000672065786 1199057740 /nfs/dbraw/zinc/05/77/40/1199057740.db2.gz YPDZEDNOABVFEB-BQFCYCMXSA-N 2 2 392.500 0.676 20 0 GCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000672065786 1199057744 /nfs/dbraw/zinc/05/77/44/1199057744.db2.gz YPDZEDNOABVFEB-BQFCYCMXSA-N 2 2 392.500 0.676 20 0 GCADLP Cc1ccc([C@@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000465803737 1199071616 /nfs/dbraw/zinc/07/16/16/1199071616.db2.gz DFVYOWACUOACPP-QUCCMNQESA-N 2 2 378.517 0.980 20 0 GCADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265752605 1199121835 /nfs/dbraw/zinc/12/18/35/1199121835.db2.gz PJRSAYSWBCZRSV-INIZCTEOSA-N 2 2 391.520 0.485 20 0 GCADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000265752605 1199121842 /nfs/dbraw/zinc/12/18/42/1199121842.db2.gz PJRSAYSWBCZRSV-INIZCTEOSA-N 2 2 391.520 0.485 20 0 GCADLP Cn1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(-c2cccnc2)n1 ZINC000172697212 1199142318 /nfs/dbraw/zinc/14/23/18/1199142318.db2.gz JMSVCEHZTKELRI-SFHVURJKSA-N 2 2 384.484 0.505 20 0 GCADLP O=C1C[C@H]([NH2+]Cc2ccccc2N2CCOCC2)CN1CC[NH+]1CCOCC1 ZINC000172697924 1199144068 /nfs/dbraw/zinc/14/40/68/1199144068.db2.gz FKBRJIJDLKQHEU-IBGZPJMESA-N 2 2 388.512 0.546 20 0 GCADLP COCCN1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000888403653 1199149455 /nfs/dbraw/zinc/14/94/55/1199149455.db2.gz QKCPEZCVMXBYBQ-UHFFFAOYSA-N 2 2 381.521 0.394 20 0 GCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672203826 1199158409 /nfs/dbraw/zinc/15/84/09/1199158409.db2.gz NVRSNGMHZNYNCJ-OALUTQOASA-N 3 2 393.576 0.604 20 0 GCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672203826 1199158412 /nfs/dbraw/zinc/15/84/12/1199158412.db2.gz NVRSNGMHZNYNCJ-OALUTQOASA-N 3 2 393.576 0.604 20 0 GCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672203826 1199158414 /nfs/dbraw/zinc/15/84/14/1199158414.db2.gz NVRSNGMHZNYNCJ-OALUTQOASA-N 3 2 393.576 0.604 20 0 GCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672203826 1199158417 /nfs/dbraw/zinc/15/84/17/1199158417.db2.gz NVRSNGMHZNYNCJ-OALUTQOASA-N 3 2 393.576 0.604 20 0 GCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672204398 1199159086 /nfs/dbraw/zinc/15/90/86/1199159086.db2.gz UIGRAGUVMFGMPP-AEFFLSMTSA-N 3 2 379.549 0.262 20 0 GCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672204398 1199159090 /nfs/dbraw/zinc/15/90/90/1199159090.db2.gz UIGRAGUVMFGMPP-AEFFLSMTSA-N 3 2 379.549 0.262 20 0 GCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672204398 1199159097 /nfs/dbraw/zinc/15/90/97/1199159097.db2.gz UIGRAGUVMFGMPP-AEFFLSMTSA-N 3 2 379.549 0.262 20 0 GCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672204398 1199159102 /nfs/dbraw/zinc/15/91/02/1199159102.db2.gz UIGRAGUVMFGMPP-AEFFLSMTSA-N 3 2 379.549 0.262 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672204400 1199159185 /nfs/dbraw/zinc/15/91/85/1199159185.db2.gz UIGRAGUVMFGMPP-SJLPKXTDSA-N 3 2 379.549 0.262 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672204400 1199159188 /nfs/dbraw/zinc/15/91/88/1199159188.db2.gz UIGRAGUVMFGMPP-SJLPKXTDSA-N 3 2 379.549 0.262 20 0 GCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672204400 1199159192 /nfs/dbraw/zinc/15/91/92/1199159192.db2.gz UIGRAGUVMFGMPP-SJLPKXTDSA-N 3 2 379.549 0.262 20 0 GCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672204400 1199159193 /nfs/dbraw/zinc/15/91/93/1199159193.db2.gz UIGRAGUVMFGMPP-SJLPKXTDSA-N 3 2 379.549 0.262 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000172726346 1199166849 /nfs/dbraw/zinc/16/68/49/1199166849.db2.gz BBLGYWZRVACYJM-RTBURBONSA-N 2 2 387.528 0.773 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000172726346 1199166853 /nfs/dbraw/zinc/16/68/53/1199166853.db2.gz BBLGYWZRVACYJM-RTBURBONSA-N 2 2 387.528 0.773 20 0 GCADLP CN(C(=O)C(=O)NCC1(C)CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672263806 1199177491 /nfs/dbraw/zinc/17/74/91/1199177491.db2.gz JIEWIMPVOWCWHB-KRWDZBQOSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C(=O)C(=O)NCC1(C)CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672263806 1199177497 /nfs/dbraw/zinc/17/74/97/1199177497.db2.gz JIEWIMPVOWCWHB-KRWDZBQOSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000672278693 1199186317 /nfs/dbraw/zinc/18/63/17/1199186317.db2.gz HZOXUWWVGPHIBX-CGTJXYLNSA-N 2 2 380.533 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000672278693 1199186323 /nfs/dbraw/zinc/18/63/23/1199186323.db2.gz HZOXUWWVGPHIBX-CGTJXYLNSA-N 2 2 380.533 0.687 20 0 GCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000627315208 1199199516 /nfs/dbraw/zinc/19/95/16/1199199516.db2.gz ZJHPOLBPDGDGEO-KRWDZBQOSA-N 2 2 388.516 0.635 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672308875 1199202440 /nfs/dbraw/zinc/20/24/40/1199202440.db2.gz BMSHXEXWNSVTDH-QGZVFWFLSA-N 3 2 379.549 0.071 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672308875 1199202442 /nfs/dbraw/zinc/20/24/42/1199202442.db2.gz BMSHXEXWNSVTDH-QGZVFWFLSA-N 3 2 379.549 0.071 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672308875 1199202443 /nfs/dbraw/zinc/20/24/43/1199202443.db2.gz BMSHXEXWNSVTDH-QGZVFWFLSA-N 3 2 379.549 0.071 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672308875 1199202447 /nfs/dbraw/zinc/20/24/47/1199202447.db2.gz BMSHXEXWNSVTDH-QGZVFWFLSA-N 3 2 379.549 0.071 20 0 GCADLP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000672470395 1199241334 /nfs/dbraw/zinc/24/13/34/1199241334.db2.gz DDFNSEWKGAKITD-ZCRFILTFSA-N 2 2 381.521 0.088 20 0 GCADLP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000672470395 1199241342 /nfs/dbraw/zinc/24/13/42/1199241342.db2.gz DDFNSEWKGAKITD-ZCRFILTFSA-N 2 2 381.521 0.088 20 0 GCADLP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000672470395 1199241345 /nfs/dbraw/zinc/24/13/45/1199241345.db2.gz DDFNSEWKGAKITD-ZCRFILTFSA-N 2 2 381.521 0.088 20 0 GCADLP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672470395 1199241348 /nfs/dbraw/zinc/24/13/48/1199241348.db2.gz DDFNSEWKGAKITD-ZCRFILTFSA-N 2 2 381.521 0.088 20 0 GCADLP CC(C)n1cc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672608325 1199281355 /nfs/dbraw/zinc/28/13/55/1199281355.db2.gz MBEBWICDWFUJLI-DOTOQJQBSA-N 2 2 390.532 0.926 20 0 GCADLP CC(C)n1cc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672608325 1199281359 /nfs/dbraw/zinc/28/13/59/1199281359.db2.gz MBEBWICDWFUJLI-DOTOQJQBSA-N 2 2 390.532 0.926 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672637522 1199287002 /nfs/dbraw/zinc/28/70/02/1199287002.db2.gz IYYOAFLQEUTMAT-NVXWUHKLSA-N 2 2 382.574 0.871 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672637522 1199287007 /nfs/dbraw/zinc/28/70/07/1199287007.db2.gz IYYOAFLQEUTMAT-NVXWUHKLSA-N 2 2 382.574 0.871 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@]3(C)CCCO)C2)CC1 ZINC000672637516 1199287474 /nfs/dbraw/zinc/28/74/74/1199287474.db2.gz IWQQBQCSKBVFOE-OXJNMPFZSA-N 2 2 380.533 0.425 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@]3(C)CCCO)C2)CC1 ZINC000672637516 1199287477 /nfs/dbraw/zinc/28/74/77/1199287477.db2.gz IWQQBQCSKBVFOE-OXJNMPFZSA-N 2 2 380.533 0.425 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCCO)CC(C)(C)C)C2)CC1 ZINC000672638475 1199289031 /nfs/dbraw/zinc/28/90/31/1199289031.db2.gz SRMBBTJWHNGIJG-MRXNPFEDSA-N 2 2 382.549 0.528 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCCO)CC(C)(C)C)C2)CC1 ZINC000672638475 1199289034 /nfs/dbraw/zinc/28/90/34/1199289034.db2.gz SRMBBTJWHNGIJG-MRXNPFEDSA-N 2 2 382.549 0.528 20 0 GCADLP Cc1noc(C)c1[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638370 1199289499 /nfs/dbraw/zinc/28/94/99/1199289499.db2.gz GEXOUIYNORXPGG-BBRMVZONSA-N 2 2 391.516 0.796 20 0 GCADLP Cc1noc(C)c1[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638370 1199289504 /nfs/dbraw/zinc/28/95/04/1199289504.db2.gz GEXOUIYNORXPGG-BBRMVZONSA-N 2 2 391.516 0.796 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOc4ccccc4C3)C2)CC1 ZINC000672637694 1199290268 /nfs/dbraw/zinc/29/02/68/1199290268.db2.gz MOGFIZBIWJZDGA-QGZVFWFLSA-N 2 2 386.496 0.692 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOc4ccccc4C3)C2)CC1 ZINC000672637694 1199290269 /nfs/dbraw/zinc/29/02/69/1199290269.db2.gz MOGFIZBIWJZDGA-QGZVFWFLSA-N 2 2 386.496 0.692 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638225 1199290469 /nfs/dbraw/zinc/29/04/69/1199290469.db2.gz RBDGFKPQBPTDSG-MSOLQXFVSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638225 1199290473 /nfs/dbraw/zinc/29/04/73/1199290473.db2.gz RBDGFKPQBPTDSG-MSOLQXFVSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638225 1199290477 /nfs/dbraw/zinc/29/04/77/1199290477.db2.gz RBDGFKPQBPTDSG-MSOLQXFVSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638225 1199290482 /nfs/dbraw/zinc/29/04/82/1199290482.db2.gz RBDGFKPQBPTDSG-MSOLQXFVSA-N 3 2 393.576 0.652 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638640 1199290886 /nfs/dbraw/zinc/29/08/86/1199290886.db2.gz GEEFLIURIGZHEI-MSOLQXFVSA-N 3 2 393.576 0.509 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638640 1199290893 /nfs/dbraw/zinc/29/08/93/1199290893.db2.gz GEEFLIURIGZHEI-MSOLQXFVSA-N 3 2 393.576 0.509 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOCC4(CCCC4)C3)C2)CC1 ZINC000672638036 1199291314 /nfs/dbraw/zinc/29/13/14/1199291314.db2.gz HYFSNLXULASAGH-QGZVFWFLSA-N 2 2 392.544 0.690 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOCC4(CCCC4)C3)C2)CC1 ZINC000672638036 1199291319 /nfs/dbraw/zinc/29/13/19/1199291319.db2.gz HYFSNLXULASAGH-QGZVFWFLSA-N 2 2 392.544 0.690 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639542 1199292440 /nfs/dbraw/zinc/29/24/40/1199292440.db2.gz QDZJWBRFJIVVFR-QZTJIDSGSA-N 3 2 391.560 0.215 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639542 1199292448 /nfs/dbraw/zinc/29/24/48/1199292448.db2.gz QDZJWBRFJIVVFR-QZTJIDSGSA-N 3 2 391.560 0.215 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)C2)CC1 ZINC000672639129 1199293255 /nfs/dbraw/zinc/29/32/55/1199293255.db2.gz ZRSINLZJSKPHOV-CVEARBPZSA-N 2 2 388.516 0.400 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)C2)CC1 ZINC000672639129 1199293257 /nfs/dbraw/zinc/29/32/57/1199293257.db2.gz ZRSINLZJSKPHOV-CVEARBPZSA-N 2 2 388.516 0.400 20 0 GCADLP CCC1(CC)[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1OC ZINC000672638770 1199293762 /nfs/dbraw/zinc/29/37/62/1199293762.db2.gz VPUGYZDOTSBRRH-NXHRZFHOSA-N 2 2 394.560 0.981 20 0 GCADLP CCC1(CC)[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1OC ZINC000672638770 1199293770 /nfs/dbraw/zinc/29/37/70/1199293770.db2.gz VPUGYZDOTSBRRH-NXHRZFHOSA-N 2 2 394.560 0.981 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)C2)CC1 ZINC000672639131 1199294061 /nfs/dbraw/zinc/29/40/61/1199294061.db2.gz ZRSINLZJSKPHOV-HZPDHXFCSA-N 2 2 388.516 0.400 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)C2)CC1 ZINC000672639131 1199294067 /nfs/dbraw/zinc/29/40/67/1199294067.db2.gz ZRSINLZJSKPHOV-HZPDHXFCSA-N 2 2 388.516 0.400 20 0 GCADLP CN(C)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672639184 1199294281 /nfs/dbraw/zinc/29/42/81/1199294281.db2.gz IRQDDSGINKJXJA-MRXNPFEDSA-N 2 2 388.516 0.049 20 0 GCADLP CN(C)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672639184 1199294291 /nfs/dbraw/zinc/29/42/91/1199294291.db2.gz IRQDDSGINKJXJA-MRXNPFEDSA-N 2 2 388.516 0.049 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCC34CCOCC4)C2)CC1 ZINC000672640556 1199294466 /nfs/dbraw/zinc/29/44/66/1199294466.db2.gz JZHJIBJQYOANKF-AEFFLSMTSA-N 2 2 392.544 0.737 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCC34CCOCC4)C2)CC1 ZINC000672640556 1199294471 /nfs/dbraw/zinc/29/44/71/1199294471.db2.gz JZHJIBJQYOANKF-AEFFLSMTSA-N 2 2 392.544 0.737 20 0 GCADLP COC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(C)o1 ZINC000672640386 1199294497 /nfs/dbraw/zinc/29/44/97/1199294497.db2.gz CJBKSPVQAJUOKK-RDJZCZTQSA-N 2 2 392.500 0.676 20 0 GCADLP COC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(C)o1 ZINC000672640386 1199294504 /nfs/dbraw/zinc/29/45/04/1199294504.db2.gz CJBKSPVQAJUOKK-RDJZCZTQSA-N 2 2 392.500 0.676 20 0 GCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638727 1199294623 /nfs/dbraw/zinc/29/46/23/1199294623.db2.gz IBIXHIIQXQALOQ-KRWDZBQOSA-N 3 2 381.565 0.317 20 0 GCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638727 1199294627 /nfs/dbraw/zinc/29/46/27/1199294627.db2.gz IBIXHIIQXQALOQ-KRWDZBQOSA-N 3 2 381.565 0.317 20 0 GCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640499 1199294657 /nfs/dbraw/zinc/29/46/57/1199294657.db2.gz WAEXZAMXGSRGCS-QGZVFWFLSA-N 3 2 393.576 0.604 20 0 GCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640499 1199294662 /nfs/dbraw/zinc/29/46/62/1199294662.db2.gz WAEXZAMXGSRGCS-QGZVFWFLSA-N 3 2 393.576 0.604 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(C)o1 ZINC000672640381 1199294787 /nfs/dbraw/zinc/29/47/87/1199294787.db2.gz CJBKSPVQAJUOKK-DOTOQJQBSA-N 2 2 392.500 0.676 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(C)o1 ZINC000672640381 1199294792 /nfs/dbraw/zinc/29/47/92/1199294792.db2.gz CJBKSPVQAJUOKK-DOTOQJQBSA-N 2 2 392.500 0.676 20 0 GCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639892 1199295341 /nfs/dbraw/zinc/29/53/41/1199295341.db2.gz OKABFGUZOOYNJD-AEFFLSMTSA-N 2 2 379.549 0.070 20 0 GCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639892 1199295345 /nfs/dbraw/zinc/29/53/45/1199295345.db2.gz OKABFGUZOOYNJD-AEFFLSMTSA-N 2 2 379.549 0.070 20 0 GCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639893 1199296492 /nfs/dbraw/zinc/29/64/92/1199296492.db2.gz OKABFGUZOOYNJD-FUHWJXTLSA-N 2 2 379.549 0.070 20 0 GCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639893 1199296493 /nfs/dbraw/zinc/29/64/93/1199296493.db2.gz OKABFGUZOOYNJD-FUHWJXTLSA-N 2 2 379.549 0.070 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C4CCOCC4)C3)C2)CC1 ZINC000672639963 1199296608 /nfs/dbraw/zinc/29/66/08/1199296608.db2.gz UXFQMKKHCDMUGM-QZTJIDSGSA-N 2 2 392.544 0.546 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C4CCOCC4)C3)C2)CC1 ZINC000672639963 1199296614 /nfs/dbraw/zinc/29/66/14/1199296614.db2.gz UXFQMKKHCDMUGM-QZTJIDSGSA-N 2 2 392.544 0.546 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000672640129 1199296819 /nfs/dbraw/zinc/29/68/19/1199296819.db2.gz RNKNGWOMORAGQI-HZPDHXFCSA-N 2 2 378.517 0.489 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000672640129 1199296823 /nfs/dbraw/zinc/29/68/23/1199296823.db2.gz RNKNGWOMORAGQI-HZPDHXFCSA-N 2 2 378.517 0.489 20 0 GCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640967 1199297676 /nfs/dbraw/zinc/29/76/76/1199297676.db2.gz HSVQAMYJFVJVAC-ROUUACIJSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640967 1199297680 /nfs/dbraw/zinc/29/76/80/1199297680.db2.gz HSVQAMYJFVJVAC-ROUUACIJSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640967 1199297687 /nfs/dbraw/zinc/29/76/87/1199297687.db2.gz HSVQAMYJFVJVAC-ROUUACIJSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640967 1199297691 /nfs/dbraw/zinc/29/76/91/1199297691.db2.gz HSVQAMYJFVJVAC-ROUUACIJSA-N 3 2 393.576 0.604 20 0 GCADLP Cc1nc(C)c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640579 1199298343 /nfs/dbraw/zinc/29/83/43/1199298343.db2.gz XVAWCRDZNYYITK-AWEZNQCLSA-N 2 2 379.530 0.661 20 0 GCADLP Cc1nc(C)c(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640579 1199298347 /nfs/dbraw/zinc/29/83/47/1199298347.db2.gz XVAWCRDZNYYITK-AWEZNQCLSA-N 2 2 379.530 0.661 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641016 1199299304 /nfs/dbraw/zinc/29/93/04/1199299304.db2.gz JUPMTSRJVFNUKW-JKSUJKDBSA-N 3 2 381.565 0.364 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641016 1199299305 /nfs/dbraw/zinc/29/93/05/1199299305.db2.gz JUPMTSRJVFNUKW-JKSUJKDBSA-N 3 2 381.565 0.364 20 0 GCADLP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)Cc2ccccc21 ZINC000672642349 1199299785 /nfs/dbraw/zinc/29/97/85/1199299785.db2.gz HALAKBWIWYZZPR-SFHVURJKSA-N 2 2 399.539 0.750 20 0 GCADLP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)Cc2ccccc21 ZINC000672642349 1199299791 /nfs/dbraw/zinc/29/97/91/1199299791.db2.gz HALAKBWIWYZZPR-SFHVURJKSA-N 2 2 399.539 0.750 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc4c(n3)CCCC4)C2)CC1 ZINC000672642296 1199300453 /nfs/dbraw/zinc/30/04/53/1199300453.db2.gz FJPLFPMHDHRQOM-SFHVURJKSA-N 2 2 399.539 0.861 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc4c(n3)CCCC4)C2)CC1 ZINC000672642296 1199300457 /nfs/dbraw/zinc/30/04/57/1199300457.db2.gz FJPLFPMHDHRQOM-SFHVURJKSA-N 2 2 399.539 0.861 20 0 GCADLP CN(Cc1nccn1C(F)F)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642402 1199301493 /nfs/dbraw/zinc/30/14/93/1199301493.db2.gz JNIYXJRSCSCNSF-CYBMUJFWSA-N 2 2 398.458 0.521 20 0 GCADLP CN(Cc1nccn1C(F)F)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642402 1199301499 /nfs/dbraw/zinc/30/14/99/1199301499.db2.gz JNIYXJRSCSCNSF-CYBMUJFWSA-N 2 2 398.458 0.521 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642485 1199301808 /nfs/dbraw/zinc/30/18/08/1199301808.db2.gz BMQDISWDHHQYCN-SJORKVTESA-N 3 2 379.549 0.260 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642485 1199301812 /nfs/dbraw/zinc/30/18/12/1199301812.db2.gz BMQDISWDHHQYCN-SJORKVTESA-N 3 2 379.549 0.260 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672641857 1199302286 /nfs/dbraw/zinc/30/22/86/1199302286.db2.gz YLWKPCNGBDKDNJ-SJLPKXTDSA-N 2 2 379.549 0.070 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672641857 1199302288 /nfs/dbraw/zinc/30/22/88/1199302288.db2.gz YLWKPCNGBDKDNJ-SJLPKXTDSA-N 2 2 379.549 0.070 20 0 GCADLP Cc1nc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000672643392 1199302322 /nfs/dbraw/zinc/30/23/22/1199302322.db2.gz WXTSYUOPMDOYIF-OAHLLOKOSA-N 2 2 393.557 0.703 20 0 GCADLP Cc1nc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000672643392 1199302327 /nfs/dbraw/zinc/30/23/27/1199302327.db2.gz WXTSYUOPMDOYIF-OAHLLOKOSA-N 2 2 393.557 0.703 20 0 GCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641800 1199303781 /nfs/dbraw/zinc/30/37/81/1199303781.db2.gz XKQLQOFDQNIGIG-SJORKVTESA-N 3 2 379.549 0.071 20 0 GCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641800 1199303782 /nfs/dbraw/zinc/30/37/82/1199303782.db2.gz XKQLQOFDQNIGIG-SJORKVTESA-N 3 2 379.549 0.071 20 0 GCADLP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641800 1199303784 /nfs/dbraw/zinc/30/37/84/1199303784.db2.gz XKQLQOFDQNIGIG-SJORKVTESA-N 3 2 379.549 0.071 20 0 GCADLP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641800 1199303788 /nfs/dbraw/zinc/30/37/88/1199303788.db2.gz XKQLQOFDQNIGIG-SJORKVTESA-N 3 2 379.549 0.071 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672643113 1199303810 /nfs/dbraw/zinc/30/38/10/1199303810.db2.gz QSOFNOYUHOXLNP-KGLIPLIRSA-N 2 2 379.530 0.648 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672643113 1199303813 /nfs/dbraw/zinc/30/38/13/1199303813.db2.gz QSOFNOYUHOXLNP-KGLIPLIRSA-N 2 2 379.530 0.648 20 0 GCADLP CCO[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C12CCC2 ZINC000672642997 1199304151 /nfs/dbraw/zinc/30/41/51/1199304151.db2.gz MIJOHBNJGMDRNP-BPQIPLTHSA-N 2 2 392.544 0.735 20 0 GCADLP CCO[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C12CCC2 ZINC000672642997 1199304154 /nfs/dbraw/zinc/30/41/54/1199304154.db2.gz MIJOHBNJGMDRNP-BPQIPLTHSA-N 2 2 392.544 0.735 20 0 GCADLP CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641706 1199304241 /nfs/dbraw/zinc/30/42/41/1199304241.db2.gz SMEHARHQFDXEPI-DYESRHJHSA-N 2 2 394.560 0.671 20 0 GCADLP CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641706 1199304246 /nfs/dbraw/zinc/30/42/46/1199304246.db2.gz SMEHARHQFDXEPI-DYESRHJHSA-N 2 2 394.560 0.671 20 0 GCADLP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672641831 1199304433 /nfs/dbraw/zinc/30/44/33/1199304433.db2.gz UNJODLCOZOFBLL-YYFZDKIDSA-N 2 2 380.533 0.591 20 0 GCADLP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672641831 1199304436 /nfs/dbraw/zinc/30/44/36/1199304436.db2.gz UNJODLCOZOFBLL-YYFZDKIDSA-N 2 2 380.533 0.591 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC([C@@H]4CCCO4)CC3)C2)CC1 ZINC000672643028 1199305442 /nfs/dbraw/zinc/30/54/42/1199305442.db2.gz NBLKSXJJXVIYQD-MJGOQNOKSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC([C@@H]4CCCO4)CC3)C2)CC1 ZINC000672643028 1199305445 /nfs/dbraw/zinc/30/54/45/1199305445.db2.gz NBLKSXJJXVIYQD-MJGOQNOKSA-N 2 2 392.544 0.689 20 0 GCADLP CCc1cnc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672642719 1199305655 /nfs/dbraw/zinc/30/56/55/1199305655.db2.gz FTULETGMXYUIJN-ZDUSSCGKSA-N 2 2 379.530 0.606 20 0 GCADLP CCc1cnc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672642719 1199305661 /nfs/dbraw/zinc/30/56/61/1199305661.db2.gz FTULETGMXYUIJN-ZDUSSCGKSA-N 2 2 379.530 0.606 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC([C@H]4CCCO4)CC3)C2)CC1 ZINC000672643027 1199305883 /nfs/dbraw/zinc/30/58/83/1199305883.db2.gz NBLKSXJJXVIYQD-IEBWSBKVSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC([C@H]4CCCO4)CC3)C2)CC1 ZINC000672643027 1199305891 /nfs/dbraw/zinc/30/58/91/1199305891.db2.gz NBLKSXJJXVIYQD-IEBWSBKVSA-N 2 2 392.544 0.689 20 0 GCADLP CCO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C12CCC2 ZINC000672642998 1199306260 /nfs/dbraw/zinc/30/62/60/1199306260.db2.gz MIJOHBNJGMDRNP-CGTJXYLNSA-N 2 2 392.544 0.735 20 0 GCADLP CCO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C12CCC2 ZINC000672642998 1199306266 /nfs/dbraw/zinc/30/62/66/1199306266.db2.gz MIJOHBNJGMDRNP-CGTJXYLNSA-N 2 2 392.544 0.735 20 0 GCADLP C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)no1 ZINC001002829188 1199307090 /nfs/dbraw/zinc/30/70/90/1199307090.db2.gz CTACZRDNHRKBJF-UNEWFSDZSA-N 2 2 375.473 0.694 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672728510 1199323110 /nfs/dbraw/zinc/32/31/10/1199323110.db2.gz KINFHEKMWRUTJF-UHFFFAOYSA-N 2 2 383.537 0.075 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672728510 1199323113 /nfs/dbraw/zinc/32/31/13/1199323113.db2.gz KINFHEKMWRUTJF-UHFFFAOYSA-N 2 2 383.537 0.075 20 0 GCADLP CC(C)c1cc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC000672736390 1199324778 /nfs/dbraw/zinc/32/47/78/1199324778.db2.gz GGPFTUAFRJIPTN-UHFFFAOYSA-N 2 2 379.505 0.899 20 0 GCADLP CC(C)c1cc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC000672736390 1199324784 /nfs/dbraw/zinc/32/47/84/1199324784.db2.gz GGPFTUAFRJIPTN-UHFFFAOYSA-N 2 2 379.505 0.899 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672850755 1199351169 /nfs/dbraw/zinc/35/11/69/1199351169.db2.gz RSLFIAKYDYGVBS-IAGOWNOFSA-N 2 2 392.500 0.710 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672850755 1199351174 /nfs/dbraw/zinc/35/11/74/1199351174.db2.gz RSLFIAKYDYGVBS-IAGOWNOFSA-N 2 2 392.500 0.710 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672869731 1199355910 /nfs/dbraw/zinc/35/59/10/1199355910.db2.gz DXAJANAYGBGELG-DOTOQJQBSA-N 2 2 380.533 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCOC(C)(C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672869731 1199355915 /nfs/dbraw/zinc/35/59/15/1199355915.db2.gz DXAJANAYGBGELG-DOTOQJQBSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000129879862 1199402411 /nfs/dbraw/zinc/40/24/11/1199402411.db2.gz PVNPXPYIPAIQOO-ZIAGYGMSSA-N 2 2 384.488 0.820 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@H+]1C1CC1 ZINC000129879862 1199402416 /nfs/dbraw/zinc/40/24/16/1199402416.db2.gz PVNPXPYIPAIQOO-ZIAGYGMSSA-N 2 2 384.488 0.820 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COCC(=O)NCc1cccnc1 ZINC000066651938 1199429762 /nfs/dbraw/zinc/42/97/62/1199429762.db2.gz TWGMNDHVZOWXCJ-UHFFFAOYSA-N 2 2 391.516 0.199 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COCC(=O)NCc1cccnc1 ZINC000066651938 1199429767 /nfs/dbraw/zinc/42/97/67/1199429767.db2.gz TWGMNDHVZOWXCJ-UHFFFAOYSA-N 2 2 391.516 0.199 20 0 GCADLP COC(C)(C)C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673221520 1199486919 /nfs/dbraw/zinc/48/69/19/1199486919.db2.gz PMGOFPVLERVOTO-WBVHZDCISA-N 2 2 382.549 0.933 20 0 GCADLP COC(C)(C)C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673221520 1199486923 /nfs/dbraw/zinc/48/69/23/1199486923.db2.gz PMGOFPVLERVOTO-WBVHZDCISA-N 2 2 382.549 0.933 20 0 GCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000673281457 1199514157 /nfs/dbraw/zinc/51/41/57/1199514157.db2.gz BJRZCCOFEUZFLG-ICSRJNTNSA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000673281457 1199514161 /nfs/dbraw/zinc/51/41/61/1199514161.db2.gz BJRZCCOFEUZFLG-ICSRJNTNSA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)C1 ZINC000673281457 1199514163 /nfs/dbraw/zinc/51/41/63/1199514163.db2.gz BJRZCCOFEUZFLG-ICSRJNTNSA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)C1 ZINC000673281457 1199514167 /nfs/dbraw/zinc/51/41/67/1199514167.db2.gz BJRZCCOFEUZFLG-ICSRJNTNSA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000673281456 1199514354 /nfs/dbraw/zinc/51/43/54/1199514354.db2.gz BJRZCCOFEUZFLG-AZUAARDMSA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000673281456 1199514359 /nfs/dbraw/zinc/51/43/59/1199514359.db2.gz BJRZCCOFEUZFLG-AZUAARDMSA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)C1 ZINC000673281456 1199514361 /nfs/dbraw/zinc/51/43/61/1199514361.db2.gz BJRZCCOFEUZFLG-AZUAARDMSA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)C1 ZINC000673281456 1199514366 /nfs/dbraw/zinc/51/43/66/1199514366.db2.gz BJRZCCOFEUZFLG-AZUAARDMSA-N 2 2 399.539 0.528 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CCCO1 ZINC000673287261 1199519745 /nfs/dbraw/zinc/51/97/45/1199519745.db2.gz XINBZZDEKRLMTD-APWZRJJASA-N 2 2 388.512 0.906 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CCCO1 ZINC000673287261 1199519751 /nfs/dbraw/zinc/51/97/51/1199519751.db2.gz XINBZZDEKRLMTD-APWZRJJASA-N 2 2 388.512 0.906 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCCO1 ZINC000673287261 1199519757 /nfs/dbraw/zinc/51/97/57/1199519757.db2.gz XINBZZDEKRLMTD-APWZRJJASA-N 2 2 388.512 0.906 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCCO1 ZINC000673287261 1199519762 /nfs/dbraw/zinc/51/97/62/1199519762.db2.gz XINBZZDEKRLMTD-APWZRJJASA-N 2 2 388.512 0.906 20 0 GCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673288310 1199519774 /nfs/dbraw/zinc/51/97/74/1199519774.db2.gz JUUYJCGKRFBMPI-IEBWSBKVSA-N 2 2 388.512 0.859 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673284432 1199520106 /nfs/dbraw/zinc/52/01/06/1199520106.db2.gz XEGHCSUHSGJMNR-VQIMIIECSA-N 2 2 386.496 0.470 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673284432 1199520109 /nfs/dbraw/zinc/52/01/09/1199520109.db2.gz XEGHCSUHSGJMNR-VQIMIIECSA-N 2 2 386.496 0.470 20 0 GCADLP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000673375910 1199582444 /nfs/dbraw/zinc/58/24/44/1199582444.db2.gz IDFNBFLSUNSYJJ-QGZVFWFLSA-N 2 2 380.533 0.548 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001003647035 1199612743 /nfs/dbraw/zinc/61/27/43/1199612743.db2.gz YHVJUZUMWQRHLQ-AHCXZYCDSA-N 2 2 382.468 0.899 20 0 GCADLP O=C(C[NH2+]C1(CO)CCOCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000069248159 1199680287 /nfs/dbraw/zinc/68/02/87/1199680287.db2.gz RRIMGCFFHHFZNZ-UHFFFAOYSA-N 2 2 377.485 0.266 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCC(C)CC1 ZINC000671872403 1199794620 /nfs/dbraw/zinc/79/46/20/1199794620.db2.gz IEWSNKNABCBWDN-ZWKOTPCHSA-N 2 2 380.533 0.546 20 0 GCADLP Cc1cc[nH]c(=O)c1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000499984615 1199844612 /nfs/dbraw/zinc/84/46/12/1199844612.db2.gz WHLBXSZMIQBSAA-UHFFFAOYSA-N 2 2 389.500 0.406 20 0 GCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000509018110 1199866820 /nfs/dbraw/zinc/86/68/20/1199866820.db2.gz VCRCUQMXINVQCL-KRWDZBQOSA-N 2 2 392.504 0.144 20 0 GCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000509018110 1199866829 /nfs/dbraw/zinc/86/68/29/1199866829.db2.gz VCRCUQMXINVQCL-KRWDZBQOSA-N 2 2 392.504 0.144 20 0 GCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cn1 ZINC000673680740 1199928815 /nfs/dbraw/zinc/92/88/15/1199928815.db2.gz XQWNYMBEDOYZOW-SFHVURJKSA-N 2 2 399.499 0.559 20 0 GCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cn1 ZINC000673680740 1199928817 /nfs/dbraw/zinc/92/88/17/1199928817.db2.gz XQWNYMBEDOYZOW-SFHVURJKSA-N 2 2 399.499 0.559 20 0 GCADLP CCO[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000625324638 1199936871 /nfs/dbraw/zinc/93/68/71/1199936871.db2.gz GPROLVDUPFXJAH-LJQANCHMSA-N 2 2 380.533 0.498 20 0 GCADLP COCCC1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000625468123 1199965390 /nfs/dbraw/zinc/96/53/90/1199965390.db2.gz GWXSYXDYINRYEA-IBGZPJMESA-N 2 2 394.560 0.888 20 0 GCADLP COCCC1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000625468123 1199965393 /nfs/dbraw/zinc/96/53/93/1199965393.db2.gz GWXSYXDYINRYEA-IBGZPJMESA-N 2 2 394.560 0.888 20 0 GCADLP COCCC1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000625468125 1199965880 /nfs/dbraw/zinc/96/58/80/1199965880.db2.gz GWXSYXDYINRYEA-LJQANCHMSA-N 2 2 394.560 0.888 20 0 GCADLP COCCC1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000625468125 1199965882 /nfs/dbraw/zinc/96/58/82/1199965882.db2.gz GWXSYXDYINRYEA-LJQANCHMSA-N 2 2 394.560 0.888 20 0 GCADLP CC(C)(CO)[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000673895610 1199970412 /nfs/dbraw/zinc/97/04/12/1199970412.db2.gz JTUXIOVJKHERQC-UHFFFAOYSA-N 2 2 380.558 0.781 20 0 GCADLP CN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625503863 1199984335 /nfs/dbraw/zinc/98/43/35/1199984335.db2.gz NJTQRYPAFSIZCC-DOTOQJQBSA-N 2 2 388.516 0.400 20 0 GCADLP CN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625503863 1199984340 /nfs/dbraw/zinc/98/43/40/1199984340.db2.gz NJTQRYPAFSIZCC-DOTOQJQBSA-N 2 2 388.516 0.400 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625559450 1200036557 /nfs/dbraw/zinc/03/65/57/1200036557.db2.gz CARVNJRRAPWVEW-OAHLLOKOSA-N 2 2 376.505 0.257 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625559450 1200036567 /nfs/dbraw/zinc/03/65/67/1200036567.db2.gz CARVNJRRAPWVEW-OAHLLOKOSA-N 2 2 376.505 0.257 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000670502805 1200377990 /nfs/dbraw/zinc/37/79/90/1200377990.db2.gz CTBNWDAUHJYIHO-RTBURBONSA-N 2 2 388.512 0.729 20 0 GCADLP C[C@H](NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000676246595 1200514132 /nfs/dbraw/zinc/51/41/32/1200514132.db2.gz XBBQWPMIRKILGO-YSIASYRMSA-N 2 2 389.544 0.993 20 0 GCADLP C[C@H](NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246595 1200514137 /nfs/dbraw/zinc/51/41/37/1200514137.db2.gz XBBQWPMIRKILGO-YSIASYRMSA-N 2 2 389.544 0.993 20 0 GCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000554473222 1200630371 /nfs/dbraw/zinc/63/03/71/1200630371.db2.gz QOWYZDSTGWAGCH-SJORKVTESA-N 2 2 376.505 1.306 20 0 GCADLP Cc1cc(NC(=O)CSCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369276315 1200852362 /nfs/dbraw/zinc/85/23/62/1200852362.db2.gz GQZJCVMITIGYFC-AWEZNQCLSA-N 2 2 395.529 0.939 20 0 GCADLP Cc1cc(NC(=O)CSCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369276315 1200852367 /nfs/dbraw/zinc/85/23/67/1200852367.db2.gz GQZJCVMITIGYFC-AWEZNQCLSA-N 2 2 395.529 0.939 20 0 GCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000570074087 1200863856 /nfs/dbraw/zinc/86/38/56/1200863856.db2.gz KMAODUDVKJLIKJ-SJORKVTESA-N 2 2 398.467 0.965 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000556963684 1200878280 /nfs/dbraw/zinc/87/82/80/1200878280.db2.gz XVHIRAPXLKUTQF-ZWKOTPCHSA-N 2 2 384.484 1.092 20 0 GCADLP Cc1cc(NCCNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000636660209 1200907538 /nfs/dbraw/zinc/90/75/38/1200907538.db2.gz AMZUHNFHNAIVLO-OAHLLOKOSA-N 2 2 390.532 1.283 20 0 GCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371834961 1201124516 /nfs/dbraw/zinc/12/45/16/1201124516.db2.gz ORDYSPHECXXOLG-HNNXBMFYSA-N 2 2 376.553 0.930 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC3(CC[NH+](Cc4cnon4)CC3)[C@H]3COC[C@H]32)CC[N@@H+]1C ZINC001079243308 1201251934 /nfs/dbraw/zinc/25/19/34/1201251934.db2.gz XZOKSIDZVQPFSX-NRSFXHEJSA-N 2 2 389.500 0.849 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC3(CC[NH+](Cc4cnon4)CC3)[C@H]3COC[C@H]32)CC[N@H+]1C ZINC001079243308 1201251938 /nfs/dbraw/zinc/25/19/38/1201251938.db2.gz XZOKSIDZVQPFSX-NRSFXHEJSA-N 2 2 389.500 0.849 20 0 GCADLP COc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001079951638 1201261378 /nfs/dbraw/zinc/26/13/78/1201261378.db2.gz ZAIBPJQVPFDCSG-BQGCOEIASA-N 2 2 377.489 0.449 20 0 GCADLP COc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001079951638 1201261382 /nfs/dbraw/zinc/26/13/82/1201261382.db2.gz ZAIBPJQVPFDCSG-BQGCOEIASA-N 2 2 377.489 0.449 20 0 GCADLP COc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001079951638 1201261388 /nfs/dbraw/zinc/26/13/88/1201261388.db2.gz ZAIBPJQVPFDCSG-BQGCOEIASA-N 2 2 377.489 0.449 20 0 GCADLP COc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001079951638 1201261391 /nfs/dbraw/zinc/26/13/91/1201261391.db2.gz ZAIBPJQVPFDCSG-BQGCOEIASA-N 2 2 377.489 0.449 20 0 GCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000495003874 1201295806 /nfs/dbraw/zinc/29/58/06/1201295806.db2.gz DPYUFWCIJVXVHW-KRWDZBQOSA-N 2 2 383.537 0.339 20 0 GCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000495003874 1201295809 /nfs/dbraw/zinc/29/58/09/1201295809.db2.gz DPYUFWCIJVXVHW-KRWDZBQOSA-N 2 2 383.537 0.339 20 0 GCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691579 1201299654 /nfs/dbraw/zinc/29/96/54/1201299654.db2.gz DRYJLEQGYOXGLP-BRSBDYLESA-N 2 2 380.533 0.545 20 0 GCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691579 1201299657 /nfs/dbraw/zinc/29/96/57/1201299657.db2.gz DRYJLEQGYOXGLP-BRSBDYLESA-N 2 2 380.533 0.545 20 0 GCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691579 1201299664 /nfs/dbraw/zinc/29/96/64/1201299664.db2.gz DRYJLEQGYOXGLP-BRSBDYLESA-N 2 2 380.533 0.545 20 0 GCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691579 1201299668 /nfs/dbraw/zinc/29/96/68/1201299668.db2.gz DRYJLEQGYOXGLP-BRSBDYLESA-N 2 2 380.533 0.545 20 0 GCADLP CO[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848033 1201306861 /nfs/dbraw/zinc/30/68/61/1201306861.db2.gz IQXIODHZKMREAQ-UTRMSSBJSA-N 2 2 379.476 0.903 20 0 GCADLP CO[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848033 1201306866 /nfs/dbraw/zinc/30/68/66/1201306866.db2.gz IQXIODHZKMREAQ-UTRMSSBJSA-N 2 2 379.476 0.903 20 0 GCADLP CO[C@@H]1C[NH+](CCc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848033 1201306875 /nfs/dbraw/zinc/30/68/75/1201306875.db2.gz IQXIODHZKMREAQ-UTRMSSBJSA-N 2 2 379.476 0.903 20 0 GCADLP CO[C@@H]1C[NH+](CCc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848033 1201306883 /nfs/dbraw/zinc/30/68/83/1201306883.db2.gz IQXIODHZKMREAQ-UTRMSSBJSA-N 2 2 379.476 0.903 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846855 1201307202 /nfs/dbraw/zinc/30/72/02/1201307202.db2.gz KRJRCPPIVWUIOD-RAEVTNRLSA-N 2 2 382.530 0.794 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846855 1201307207 /nfs/dbraw/zinc/30/72/07/1201307207.db2.gz KRJRCPPIVWUIOD-RAEVTNRLSA-N 2 2 382.530 0.794 20 0 GCADLP CO[C@@H]1C[NH+](Cc2sc(C)nc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081846855 1201307211 /nfs/dbraw/zinc/30/72/11/1201307211.db2.gz KRJRCPPIVWUIOD-RAEVTNRLSA-N 2 2 382.530 0.794 20 0 GCADLP CO[C@@H]1C[NH+](Cc2sc(C)nc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081846855 1201307213 /nfs/dbraw/zinc/30/72/13/1201307213.db2.gz KRJRCPPIVWUIOD-RAEVTNRLSA-N 2 2 382.530 0.794 20 0 GCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848248 1201307544 /nfs/dbraw/zinc/30/75/44/1201307544.db2.gz UQDWIKIIMDSTCV-DGCUDZEOSA-N 2 2 380.489 0.580 20 0 GCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848248 1201307551 /nfs/dbraw/zinc/30/75/51/1201307551.db2.gz UQDWIKIIMDSTCV-DGCUDZEOSA-N 2 2 380.489 0.580 20 0 GCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848248 1201307557 /nfs/dbraw/zinc/30/75/57/1201307557.db2.gz UQDWIKIIMDSTCV-DGCUDZEOSA-N 2 2 380.489 0.580 20 0 GCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848248 1201307565 /nfs/dbraw/zinc/30/75/65/1201307565.db2.gz UQDWIKIIMDSTCV-DGCUDZEOSA-N 2 2 380.489 0.580 20 0 GCADLP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149853 1201320654 /nfs/dbraw/zinc/32/06/54/1201320654.db2.gz RRXGEJIQYQBHQE-KCYZZUKISA-N 2 2 388.472 0.663 20 0 GCADLP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149853 1201320659 /nfs/dbraw/zinc/32/06/59/1201320659.db2.gz RRXGEJIQYQBHQE-KCYZZUKISA-N 2 2 388.472 0.663 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000727603317 1201360595 /nfs/dbraw/zinc/36/05/95/1201360595.db2.gz LGUVONKHZPPYPG-INIZCTEOSA-N 2 2 391.516 0.498 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000727603317 1201360604 /nfs/dbraw/zinc/36/06/04/1201360604.db2.gz LGUVONKHZPPYPG-INIZCTEOSA-N 2 2 391.516 0.498 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000535294461 1201369822 /nfs/dbraw/zinc/36/98/22/1201369822.db2.gz NICZSCMLCMGPPK-FQEVSTJZSA-N 2 2 389.544 0.862 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000535294461 1201369825 /nfs/dbraw/zinc/36/98/25/1201369825.db2.gz NICZSCMLCMGPPK-FQEVSTJZSA-N 2 2 389.544 0.862 20 0 GCADLP CN(C(=O)/C=C/c1cnn(C)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729979997 1201423197 /nfs/dbraw/zinc/42/31/97/1201423197.db2.gz JYZOQJZCBDXXCR-SNAWJCMRSA-N 2 2 388.516 0.130 20 0 GCADLP COc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)on1 ZINC001084970059 1201513756 /nfs/dbraw/zinc/51/37/56/1201513756.db2.gz LVMKRBKGSFDUMJ-TXCZRRACSA-N 2 2 378.473 0.825 20 0 GCADLP COc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)on1 ZINC001084970059 1201513758 /nfs/dbraw/zinc/51/37/58/1201513758.db2.gz LVMKRBKGSFDUMJ-TXCZRRACSA-N 2 2 378.473 0.825 20 0 GCADLP COc1cc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]32)on1 ZINC001084970059 1201513760 /nfs/dbraw/zinc/51/37/60/1201513760.db2.gz LVMKRBKGSFDUMJ-TXCZRRACSA-N 2 2 378.473 0.825 20 0 GCADLP COc1cc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]32)on1 ZINC001084970059 1201513764 /nfs/dbraw/zinc/51/37/64/1201513764.db2.gz LVMKRBKGSFDUMJ-TXCZRRACSA-N 2 2 378.473 0.825 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCCC4)[C@H]3C2)O1 ZINC001084970190 1201514282 /nfs/dbraw/zinc/51/42/82/1201514282.db2.gz SIPIPAMYQPTIGI-AKHDSKFASA-N 2 2 392.544 0.641 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCCC4)[C@H]3C2)O1 ZINC001084970190 1201514285 /nfs/dbraw/zinc/51/42/85/1201514285.db2.gz SIPIPAMYQPTIGI-AKHDSKFASA-N 2 2 392.544 0.641 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCCC4)[C@H]3C2)O1 ZINC001084970190 1201514291 /nfs/dbraw/zinc/51/42/91/1201514291.db2.gz SIPIPAMYQPTIGI-AKHDSKFASA-N 2 2 392.544 0.641 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)[C@H]3C2)O1 ZINC001084970190 1201514295 /nfs/dbraw/zinc/51/42/95/1201514295.db2.gz SIPIPAMYQPTIGI-AKHDSKFASA-N 2 2 392.544 0.641 20 0 GCADLP CC(C)c1[nH+]ccn1CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000732960534 1201571326 /nfs/dbraw/zinc/57/13/26/1201571326.db2.gz NUCHQWWAETZYQO-QGZVFWFLSA-N 2 2 391.516 0.836 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1C ZINC000734663993 1201658676 /nfs/dbraw/zinc/65/86/76/1201658676.db2.gz SDIQQIFLTVTAAB-QGZVFWFLSA-N 2 2 391.516 0.913 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1C ZINC000734663993 1201658682 /nfs/dbraw/zinc/65/86/82/1201658682.db2.gz SDIQQIFLTVTAAB-QGZVFWFLSA-N 2 2 391.516 0.913 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccnc(-n3nnc(-c4cccc(C[NH3+])c4)n3)c2)CC1 ZINC001168876893 1201928360 /nfs/dbraw/zinc/92/83/60/1201928360.db2.gz OECCLJCBKHDQLS-UHFFFAOYSA-N 2 2 378.440 0.571 20 0 GCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCn1cc[nH+]c1 ZINC001169162975 1201933935 /nfs/dbraw/zinc/93/39/35/1201933935.db2.gz WAUPAKSBEAMNHR-OAHLLOKOSA-N 2 2 387.488 0.869 20 0 GCADLP COc1ccc2[nH+]c(C)cc(NCC[NH+]3CCN(S(C)(=O)=O)CC3)c2c1 ZINC001169344617 1201943804 /nfs/dbraw/zinc/94/38/04/1201943804.db2.gz UDXKOGLMHPZEGT-UHFFFAOYSA-N 2 2 378.498 0.963 20 0 GCADLP CC(=O)N1CC[C@@H]([N@@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)C1 ZINC001169548303 1201950842 /nfs/dbraw/zinc/95/08/42/1201950842.db2.gz FRAXVHYYDKYRPP-QGZVFWFLSA-N 2 2 376.505 0.717 20 0 GCADLP CC(=O)N1CC[C@@H]([N@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)C1 ZINC001169548303 1201950843 /nfs/dbraw/zinc/95/08/43/1201950843.db2.gz FRAXVHYYDKYRPP-QGZVFWFLSA-N 2 2 376.505 0.717 20 0 GCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109301875 1202017779 /nfs/dbraw/zinc/01/77/79/1202017779.db2.gz OEGHCLCHMSGZEQ-QQXKLLMISA-N 2 2 388.512 0.884 20 0 GCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109301875 1202017781 /nfs/dbraw/zinc/01/77/81/1202017781.db2.gz OEGHCLCHMSGZEQ-QQXKLLMISA-N 2 2 388.512 0.884 20 0 GCADLP C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)CCO1 ZINC001109400445 1202037912 /nfs/dbraw/zinc/03/79/12/1202037912.db2.gz GIOGCLWKKVFNLQ-NCOADZHNSA-N 2 2 378.517 0.440 20 0 GCADLP C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)CCO1 ZINC001109400445 1202037914 /nfs/dbraw/zinc/03/79/14/1202037914.db2.gz GIOGCLWKKVFNLQ-NCOADZHNSA-N 2 2 378.517 0.440 20 0 GCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1 ZINC001109400748 1202038320 /nfs/dbraw/zinc/03/83/20/1202038320.db2.gz TUPWMQOVZFQWJD-YDZRNGNQSA-N 2 2 375.517 0.961 20 0 GCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC1CC1 ZINC001109400748 1202038321 /nfs/dbraw/zinc/03/83/21/1202038321.db2.gz TUPWMQOVZFQWJD-YDZRNGNQSA-N 2 2 375.517 0.961 20 0 GCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402095 1202038438 /nfs/dbraw/zinc/03/84/38/1202038438.db2.gz HXRWSISNFNJDJT-NCOADZHNSA-N 2 2 380.533 0.733 20 0 GCADLP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402095 1202038440 /nfs/dbraw/zinc/03/84/40/1202038440.db2.gz HXRWSISNFNJDJT-NCOADZHNSA-N 2 2 380.533 0.733 20 0 GCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001109402431 1202038863 /nfs/dbraw/zinc/03/88/63/1202038863.db2.gz QMLFNAUIKANWPU-WBTNSWJXSA-N 2 2 377.489 0.036 20 0 GCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001109402431 1202038867 /nfs/dbraw/zinc/03/88/67/1202038867.db2.gz QMLFNAUIKANWPU-WBTNSWJXSA-N 2 2 377.489 0.036 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CCO1 ZINC000769086747 1202045711 /nfs/dbraw/zinc/04/57/11/1202045711.db2.gz PWCSLVYMJFRLFX-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CCO1 ZINC000769086747 1202045715 /nfs/dbraw/zinc/04/57/15/1202045715.db2.gz PWCSLVYMJFRLFX-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CCO1 ZINC000769086747 1202045716 /nfs/dbraw/zinc/04/57/16/1202045716.db2.gz PWCSLVYMJFRLFX-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CCO1 ZINC000769086747 1202045718 /nfs/dbraw/zinc/04/57/18/1202045718.db2.gz PWCSLVYMJFRLFX-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443113 1202051777 /nfs/dbraw/zinc/05/17/77/1202051777.db2.gz WBCRPAJSQVZGLK-XGUBFFRZSA-N 2 2 377.489 0.167 20 0 GCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443113 1202051782 /nfs/dbraw/zinc/05/17/82/1202051782.db2.gz WBCRPAJSQVZGLK-XGUBFFRZSA-N 2 2 377.489 0.167 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525892 1202071577 /nfs/dbraw/zinc/07/15/77/1202071577.db2.gz NDYCHQRZJSDLOU-KBXIAJHMSA-N 2 2 376.461 0.147 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525892 1202071580 /nfs/dbraw/zinc/07/15/80/1202071580.db2.gz NDYCHQRZJSDLOU-KBXIAJHMSA-N 2 2 376.461 0.147 20 0 GCADLP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109527445 1202071602 /nfs/dbraw/zinc/07/16/02/1202071602.db2.gz ULZSNLGWWRMIQN-YVSFHVDLSA-N 2 2 377.489 0.454 20 0 GCADLP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109527445 1202071605 /nfs/dbraw/zinc/07/16/05/1202071605.db2.gz ULZSNLGWWRMIQN-YVSFHVDLSA-N 2 2 377.489 0.454 20 0 GCADLP CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001109544777 1202077839 /nfs/dbraw/zinc/07/78/39/1202077839.db2.gz MNZFQKKTDNBGSV-GFEQUFNTSA-N 2 2 381.517 0.624 20 0 GCADLP CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001109544777 1202077841 /nfs/dbraw/zinc/07/78/41/1202077841.db2.gz MNZFQKKTDNBGSV-GFEQUFNTSA-N 2 2 381.517 0.624 20 0 GCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109643492 1202097112 /nfs/dbraw/zinc/09/71/12/1202097112.db2.gz JYPGTEDPGCWTKX-OWSLCNJRSA-N 2 2 380.533 0.589 20 0 GCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109643492 1202097114 /nfs/dbraw/zinc/09/71/14/1202097114.db2.gz JYPGTEDPGCWTKX-OWSLCNJRSA-N 2 2 380.533 0.589 20 0 GCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109643492 1202097116 /nfs/dbraw/zinc/09/71/16/1202097116.db2.gz JYPGTEDPGCWTKX-OWSLCNJRSA-N 2 2 380.533 0.589 20 0 GCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109643492 1202097118 /nfs/dbraw/zinc/09/71/18/1202097118.db2.gz JYPGTEDPGCWTKX-OWSLCNJRSA-N 2 2 380.533 0.589 20 0 GCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001109686639 1202104361 /nfs/dbraw/zinc/10/43/61/1202104361.db2.gz ASKVMFHVBQZYMG-WBTNSWJXSA-N 2 2 379.505 0.282 20 0 GCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001109686639 1202104362 /nfs/dbraw/zinc/10/43/62/1202104362.db2.gz ASKVMFHVBQZYMG-WBTNSWJXSA-N 2 2 379.505 0.282 20 0 GCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724267 1202110366 /nfs/dbraw/zinc/11/03/66/1202110366.db2.gz KDNWUSUKSVXJCS-IKGGRYGDSA-N 2 2 382.549 0.839 20 0 GCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724267 1202110367 /nfs/dbraw/zinc/11/03/67/1202110367.db2.gz KDNWUSUKSVXJCS-IKGGRYGDSA-N 2 2 382.549 0.839 20 0 GCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724267 1202110368 /nfs/dbraw/zinc/11/03/68/1202110368.db2.gz KDNWUSUKSVXJCS-IKGGRYGDSA-N 2 2 382.549 0.839 20 0 GCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724267 1202110369 /nfs/dbraw/zinc/11/03/69/1202110369.db2.gz KDNWUSUKSVXJCS-IKGGRYGDSA-N 2 2 382.549 0.839 20 0 GCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735316 1202115129 /nfs/dbraw/zinc/11/51/29/1202115129.db2.gz BJPXEHBZWREHDH-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735316 1202115131 /nfs/dbraw/zinc/11/51/31/1202115131.db2.gz BJPXEHBZWREHDH-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735317 1202115457 /nfs/dbraw/zinc/11/54/57/1202115457.db2.gz BJPXEHBZWREHDH-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735317 1202115459 /nfs/dbraw/zinc/11/54/59/1202115459.db2.gz BJPXEHBZWREHDH-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C3)C1=O ZINC001109843513 1202133674 /nfs/dbraw/zinc/13/36/74/1202133674.db2.gz NQDYSLKPUBAOIF-OWSLCNJRSA-N 2 2 378.517 0.441 20 0 GCADLP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C3)C1=O ZINC001109843513 1202133678 /nfs/dbraw/zinc/13/36/78/1202133678.db2.gz NQDYSLKPUBAOIF-OWSLCNJRSA-N 2 2 378.517 0.441 20 0 GCADLP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109846303 1202134673 /nfs/dbraw/zinc/13/46/73/1202134673.db2.gz DPYFHXGCGAUZKF-SQNIBIBYSA-N 2 2 378.517 0.299 20 0 GCADLP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109846303 1202134674 /nfs/dbraw/zinc/13/46/74/1202134674.db2.gz DPYFHXGCGAUZKF-SQNIBIBYSA-N 2 2 378.517 0.299 20 0 GCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cc(Cl)cn1 ZINC001109847879 1202135181 /nfs/dbraw/zinc/13/51/81/1202135181.db2.gz LSOYKYYJRIZSBO-IKGGRYGDSA-N 2 2 381.908 0.980 20 0 GCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cc(Cl)cn1 ZINC001109847879 1202135184 /nfs/dbraw/zinc/13/51/84/1202135184.db2.gz LSOYKYYJRIZSBO-IKGGRYGDSA-N 2 2 381.908 0.980 20 0 GCADLP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC)C(C)C ZINC001109859211 1202138046 /nfs/dbraw/zinc/13/80/46/1202138046.db2.gz PNTTXTBDWOZMFV-WBTNSWJXSA-N 2 2 381.521 0.530 20 0 GCADLP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC)C(C)C ZINC001109859211 1202138047 /nfs/dbraw/zinc/13/80/47/1202138047.db2.gz PNTTXTBDWOZMFV-WBTNSWJXSA-N 2 2 381.521 0.530 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001109868162 1202140124 /nfs/dbraw/zinc/14/01/24/1202140124.db2.gz DWGWJPXADVXWPZ-UKMLZYKCSA-N 2 2 379.505 0.426 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001109868162 1202140127 /nfs/dbraw/zinc/14/01/27/1202140127.db2.gz DWGWJPXADVXWPZ-UKMLZYKCSA-N 2 2 379.505 0.426 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001109868344 1202140249 /nfs/dbraw/zinc/14/02/49/1202140249.db2.gz LVCXUENSOLTNGA-FZKCQIBNSA-N 2 2 381.521 0.672 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001109868344 1202140250 /nfs/dbraw/zinc/14/02/50/1202140250.db2.gz LVCXUENSOLTNGA-FZKCQIBNSA-N 2 2 381.521 0.672 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879569 1202140657 /nfs/dbraw/zinc/14/06/57/1202140657.db2.gz AMSWTGWEXJBZBP-SQNIBIBYSA-N 2 2 380.533 0.593 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879569 1202140658 /nfs/dbraw/zinc/14/06/58/1202140658.db2.gz AMSWTGWEXJBZBP-SQNIBIBYSA-N 2 2 380.533 0.593 20 0 GCADLP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CC1 ZINC001109902639 1202146321 /nfs/dbraw/zinc/14/63/21/1202146321.db2.gz UCIHGCPBXVLJEP-NJAFHUGGSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CC1 ZINC001109902639 1202146324 /nfs/dbraw/zinc/14/63/24/1202146324.db2.gz UCIHGCPBXVLJEP-NJAFHUGGSA-N 2 2 378.517 0.345 20 0 GCADLP CN(C(=O)NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771776185 1202158524 /nfs/dbraw/zinc/15/85/24/1202158524.db2.gz DDOOAUQSEJQGSD-ZWKOTPCHSA-N 2 2 396.532 0.718 20 0 GCADLP CN(C(=O)NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771776185 1202158527 /nfs/dbraw/zinc/15/85/27/1202158527.db2.gz DDOOAUQSEJQGSD-ZWKOTPCHSA-N 2 2 396.532 0.718 20 0 GCADLP CN(C(=O)NCc1ccc(-n2cncn2)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771762090 1202161278 /nfs/dbraw/zinc/16/12/78/1202161278.db2.gz FXWNWDJETOMQAC-GOSISDBHSA-N 2 2 398.515 0.972 20 0 GCADLP CN(C(=O)NCc1ccc(-n2cncn2)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771762090 1202161280 /nfs/dbraw/zinc/16/12/80/1202161280.db2.gz FXWNWDJETOMQAC-GOSISDBHSA-N 2 2 398.515 0.972 20 0 GCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC2CC2)C1 ZINC001109975983 1202164642 /nfs/dbraw/zinc/16/46/42/1202164642.db2.gz MPNITAGOWAFRMC-UKMLZYKCSA-N 2 2 377.489 0.038 20 0 GCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC2CC2)C1 ZINC001109975983 1202164643 /nfs/dbraw/zinc/16/46/43/1202164643.db2.gz MPNITAGOWAFRMC-UKMLZYKCSA-N 2 2 377.489 0.038 20 0 GCADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)C1 ZINC001109975983 1202164645 /nfs/dbraw/zinc/16/46/45/1202164645.db2.gz MPNITAGOWAFRMC-UKMLZYKCSA-N 2 2 377.489 0.038 20 0 GCADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)C1 ZINC001109975983 1202164646 /nfs/dbraw/zinc/16/46/46/1202164646.db2.gz MPNITAGOWAFRMC-UKMLZYKCSA-N 2 2 377.489 0.038 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976088 1202164770 /nfs/dbraw/zinc/16/47/70/1202164770.db2.gz QUZUVCRDNNUODA-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976088 1202164771 /nfs/dbraw/zinc/16/47/71/1202164771.db2.gz QUZUVCRDNNUODA-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109976088 1202164772 /nfs/dbraw/zinc/16/47/72/1202164772.db2.gz QUZUVCRDNNUODA-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109976088 1202164775 /nfs/dbraw/zinc/16/47/75/1202164775.db2.gz QUZUVCRDNNUODA-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109977463 1202165426 /nfs/dbraw/zinc/16/54/26/1202165426.db2.gz JVYMYTVTQCWMEW-IKGGRYGDSA-N 2 2 382.549 0.839 20 0 GCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109977463 1202165427 /nfs/dbraw/zinc/16/54/27/1202165427.db2.gz JVYMYTVTQCWMEW-IKGGRYGDSA-N 2 2 382.549 0.839 20 0 GCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001110015090 1202175221 /nfs/dbraw/zinc/17/52/21/1202175221.db2.gz YDBRLKRLGPHTDL-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001110015090 1202175222 /nfs/dbraw/zinc/17/52/22/1202175222.db2.gz YDBRLKRLGPHTDL-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110015090 1202175225 /nfs/dbraw/zinc/17/52/25/1202175225.db2.gz YDBRLKRLGPHTDL-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110015090 1202175226 /nfs/dbraw/zinc/17/52/26/1202175226.db2.gz YDBRLKRLGPHTDL-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nnnn1C1CC1 ZINC000790269233 1205461645 /nfs/dbraw/zinc/46/16/45/1205461645.db2.gz ZHMBUWBLOZDFAI-ZDUSSCGKSA-N 2 2 376.509 0.927 20 0 GCADLP CC(C)(CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000790329187 1205462062 /nfs/dbraw/zinc/46/20/62/1205462062.db2.gz WFZKPEYVNFCUPY-UHFFFAOYSA-N 2 2 388.578 0.917 20 0 GCADLP COCCNC(=O)C1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790371127 1205463927 /nfs/dbraw/zinc/46/39/27/1205463927.db2.gz TZMSDLBJXFJPSW-IBGZPJMESA-N 2 2 380.489 0.335 20 0 GCADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790732460 1205470686 /nfs/dbraw/zinc/47/06/86/1205470686.db2.gz LOMUDULLVXHBNB-XJKSGUPXSA-N 2 2 376.509 0.879 20 0 GCADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790732460 1205470687 /nfs/dbraw/zinc/47/06/87/1205470687.db2.gz LOMUDULLVXHBNB-XJKSGUPXSA-N 2 2 376.509 0.879 20 0 GCADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791623354 1205478809 /nfs/dbraw/zinc/47/88/09/1205478809.db2.gz JKAUNHSHLUJJIX-MAUKXSAKSA-N 2 2 378.521 0.254 20 0 GCADLP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000792149169 1205484196 /nfs/dbraw/zinc/48/41/96/1205484196.db2.gz RHNAMGFKNJABAY-UHFFFAOYSA-N 2 2 398.548 0.844 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792146374 1205484316 /nfs/dbraw/zinc/48/43/16/1205484316.db2.gz UHFRIXSMNDABOI-INIZCTEOSA-N 2 2 384.521 0.454 20 0 GCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792147114 1205484329 /nfs/dbraw/zinc/48/43/29/1205484329.db2.gz GQMLFJWRGBFJLM-KRWDZBQOSA-N 2 2 397.564 0.681 20 0 GCADLP C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000793631840 1205501266 /nfs/dbraw/zinc/50/12/66/1205501266.db2.gz OOVYUSODDYRHQC-MAUKXSAKSA-N 2 2 388.512 0.641 20 0 GCADLP C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000793631840 1205501267 /nfs/dbraw/zinc/50/12/67/1205501267.db2.gz OOVYUSODDYRHQC-MAUKXSAKSA-N 2 2 388.512 0.641 20 0 GCADLP C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000793631848 1205501323 /nfs/dbraw/zinc/50/13/23/1205501323.db2.gz OOVYUSODDYRHQC-QAPCUYQASA-N 2 2 388.512 0.641 20 0 GCADLP C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000793631848 1205501325 /nfs/dbraw/zinc/50/13/25/1205501325.db2.gz OOVYUSODDYRHQC-QAPCUYQASA-N 2 2 388.512 0.641 20 0 GCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000793799635 1205506678 /nfs/dbraw/zinc/50/66/78/1205506678.db2.gz BPJUHRZMLGWOGT-KRWDZBQOSA-N 2 2 384.484 0.991 20 0 GCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000793799635 1205506679 /nfs/dbraw/zinc/50/66/79/1205506679.db2.gz BPJUHRZMLGWOGT-KRWDZBQOSA-N 2 2 384.484 0.991 20 0 GCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793865351 1205508147 /nfs/dbraw/zinc/50/81/47/1205508147.db2.gz KUFNGDDALGEFOY-JKSUJKDBSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793865351 1205508148 /nfs/dbraw/zinc/50/81/48/1205508148.db2.gz KUFNGDDALGEFOY-JKSUJKDBSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793865351 1205508151 /nfs/dbraw/zinc/50/81/51/1205508151.db2.gz KUFNGDDALGEFOY-JKSUJKDBSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793865351 1205508152 /nfs/dbraw/zinc/50/81/52/1205508152.db2.gz KUFNGDDALGEFOY-JKSUJKDBSA-N 2 2 392.525 0.202 20 0 GCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000793873902 1205508445 /nfs/dbraw/zinc/50/84/45/1205508445.db2.gz DHLHEYZYJCDJNQ-DLBZAZTESA-N 2 2 398.548 0.843 20 0 GCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000793873902 1205508446 /nfs/dbraw/zinc/50/84/46/1205508446.db2.gz DHLHEYZYJCDJNQ-DLBZAZTESA-N 2 2 398.548 0.843 20 0 GCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001110101899 1205512773 /nfs/dbraw/zinc/51/27/73/1205512773.db2.gz KBHUAWMZECVIBJ-KBXIAJHMSA-N 2 2 379.505 0.284 20 0 GCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001110101899 1205512775 /nfs/dbraw/zinc/51/27/75/1205512775.db2.gz KBHUAWMZECVIBJ-KBXIAJHMSA-N 2 2 379.505 0.284 20 0 GCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001110101899 1205512776 /nfs/dbraw/zinc/51/27/76/1205512776.db2.gz KBHUAWMZECVIBJ-KBXIAJHMSA-N 2 2 379.505 0.284 20 0 GCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001110101899 1205512778 /nfs/dbraw/zinc/51/27/78/1205512778.db2.gz KBHUAWMZECVIBJ-KBXIAJHMSA-N 2 2 379.505 0.284 20 0 GCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001130220639 1205538158 /nfs/dbraw/zinc/53/81/58/1205538158.db2.gz HJRKSIZHZVIHLZ-CBBWQLFWSA-N 2 2 380.493 0.012 20 0 GCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001130220639 1205538159 /nfs/dbraw/zinc/53/81/59/1205538159.db2.gz HJRKSIZHZVIHLZ-CBBWQLFWSA-N 2 2 380.493 0.012 20 0 GCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001130220639 1205538161 /nfs/dbraw/zinc/53/81/61/1205538161.db2.gz HJRKSIZHZVIHLZ-CBBWQLFWSA-N 2 2 380.493 0.012 20 0 GCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001130220639 1205538163 /nfs/dbraw/zinc/53/81/63/1205538163.db2.gz HJRKSIZHZVIHLZ-CBBWQLFWSA-N 2 2 380.493 0.012 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CCCO)CC3)C2)CC1 ZINC000806209774 1205551667 /nfs/dbraw/zinc/55/16/67/1205551667.db2.gz DIGWRWLFZUFBRM-QGZVFWFLSA-N 2 2 380.533 0.282 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CCCO)CC3)C2)CC1 ZINC000806209774 1205551668 /nfs/dbraw/zinc/55/16/68/1205551668.db2.gz DIGWRWLFZUFBRM-QGZVFWFLSA-N 2 2 380.533 0.282 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4c(F)cccc4C3)C2)CC1 ZINC000806209677 1205551753 /nfs/dbraw/zinc/55/17/53/1205551753.db2.gz COPASRNHGJKUHN-MRXNPFEDSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4c(F)cccc4C3)C2)CC1 ZINC000806209677 1205551754 /nfs/dbraw/zinc/55/17/54/1205551754.db2.gz COPASRNHGJKUHN-MRXNPFEDSA-N 2 2 388.487 0.995 20 0 GCADLP Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000806210416 1205551785 /nfs/dbraw/zinc/55/17/85/1205551785.db2.gz PSTXPMMMQWPWMY-MAUKXSAKSA-N 2 2 389.500 0.931 20 0 GCADLP Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000806210416 1205551786 /nfs/dbraw/zinc/55/17/86/1205551786.db2.gz PSTXPMMMQWPWMY-MAUKXSAKSA-N 2 2 389.500 0.931 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC1(C)OCCO1 ZINC000807424305 1205580646 /nfs/dbraw/zinc/58/06/46/1205580646.db2.gz XIBANJGKPSNGCV-INIZCTEOSA-N 2 2 398.548 0.376 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC1(C)OCCO1 ZINC000807424305 1205580648 /nfs/dbraw/zinc/58/06/48/1205580648.db2.gz XIBANJGKPSNGCV-INIZCTEOSA-N 2 2 398.548 0.376 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000807927004 1205594465 /nfs/dbraw/zinc/59/44/65/1205594465.db2.gz OUESJWANZMHSIG-IAGOWNOFSA-N 2 2 391.516 0.743 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000807927004 1205594466 /nfs/dbraw/zinc/59/44/66/1205594466.db2.gz OUESJWANZMHSIG-IAGOWNOFSA-N 2 2 391.516 0.743 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3COC4=O)C2)CC1 ZINC000808939334 1205614875 /nfs/dbraw/zinc/61/48/75/1205614875.db2.gz GJRAUPXRACNWQI-CYBMUJFWSA-N 2 2 386.452 0.580 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3COC4=O)C2)CC1 ZINC000808939334 1205614876 /nfs/dbraw/zinc/61/48/76/1205614876.db2.gz GJRAUPXRACNWQI-CYBMUJFWSA-N 2 2 386.452 0.580 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)C(=O)OC4)C2)CC1 ZINC000808940333 1205614900 /nfs/dbraw/zinc/61/49/00/1205614900.db2.gz VQOPKYGJSDNBBO-HNNXBMFYSA-N 2 2 386.452 0.580 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)C(=O)OC4)C2)CC1 ZINC000808940333 1205614901 /nfs/dbraw/zinc/61/49/01/1205614901.db2.gz VQOPKYGJSDNBBO-HNNXBMFYSA-N 2 2 386.452 0.580 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131564387 1205618563 /nfs/dbraw/zinc/61/85/63/1205618563.db2.gz KXDYFKHIIYMXEJ-MTNOOBJLSA-N 2 2 376.501 0.892 20 0 GCADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000809460206 1205625827 /nfs/dbraw/zinc/62/58/27/1205625827.db2.gz UBDZNKGCJGBVRN-SFHVURJKSA-N 2 2 383.496 0.947 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CCO1 ZINC000747586380 1205632861 /nfs/dbraw/zinc/63/28/61/1205632861.db2.gz XPWOMRKYYJNFPN-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CCO1 ZINC000747586380 1205632862 /nfs/dbraw/zinc/63/28/62/1205632862.db2.gz XPWOMRKYYJNFPN-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CCO1 ZINC000747586380 1205632863 /nfs/dbraw/zinc/63/28/63/1205632863.db2.gz XPWOMRKYYJNFPN-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CCO1 ZINC000747586380 1205632864 /nfs/dbraw/zinc/63/28/64/1205632864.db2.gz XPWOMRKYYJNFPN-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810068993 1205633828 /nfs/dbraw/zinc/63/38/28/1205633828.db2.gz DHGQTCCVMLJQKZ-ZIAGYGMSSA-N 2 2 378.439 0.930 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810068993 1205633830 /nfs/dbraw/zinc/63/38/30/1205633830.db2.gz DHGQTCCVMLJQKZ-ZIAGYGMSSA-N 2 2 378.439 0.930 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000810269305 1205635178 /nfs/dbraw/zinc/63/51/78/1205635178.db2.gz DWADIPKAICCFTI-YESZJQIVSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000810269305 1205635179 /nfs/dbraw/zinc/63/51/79/1205635179.db2.gz DWADIPKAICCFTI-YESZJQIVSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000810269305 1205635180 /nfs/dbraw/zinc/63/51/80/1205635180.db2.gz DWADIPKAICCFTI-YESZJQIVSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000810269305 1205635181 /nfs/dbraw/zinc/63/51/81/1205635181.db2.gz DWADIPKAICCFTI-YESZJQIVSA-N 2 2 377.489 0.463 20 0 GCADLP CON(C)C(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000813073189 1205672750 /nfs/dbraw/zinc/67/27/50/1205672750.db2.gz NGBLJZHKKTWPDS-INIZCTEOSA-N 2 2 381.521 0.596 20 0 GCADLP CON(C)C(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000813073189 1205672751 /nfs/dbraw/zinc/67/27/51/1205672751.db2.gz NGBLJZHKKTWPDS-INIZCTEOSA-N 2 2 381.521 0.596 20 0 GCADLP CON(C)C(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000813073190 1205672762 /nfs/dbraw/zinc/67/27/62/1205672762.db2.gz NGBLJZHKKTWPDS-MRXNPFEDSA-N 2 2 381.521 0.596 20 0 GCADLP CON(C)C(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000813073190 1205672763 /nfs/dbraw/zinc/67/27/63/1205672763.db2.gz NGBLJZHKKTWPDS-MRXNPFEDSA-N 2 2 381.521 0.596 20 0 GCADLP O=C1CC[C@H]2C[C@H]([N@@H+]3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)CCN12 ZINC001172175694 1205713823 /nfs/dbraw/zinc/71/38/23/1205713823.db2.gz VJEKVSSESYCZLN-SJORKVTESA-N 2 2 382.468 0.847 20 0 GCADLP O=C1CC[C@H]2C[C@H]([N@H+]3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)CCN12 ZINC001172175694 1205713825 /nfs/dbraw/zinc/71/38/25/1205713825.db2.gz VJEKVSSESYCZLN-SJORKVTESA-N 2 2 382.468 0.847 20 0 GCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@H]1CCc2ncsc2C1 ZINC001173134904 1205718757 /nfs/dbraw/zinc/71/87/57/1205718757.db2.gz KMMSJWQDZRWPFM-WHOFXGATSA-N 2 2 388.497 0.416 20 0 GCADLP CC[N@@H+]1CC[C@@H](N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001173363671 1205720126 /nfs/dbraw/zinc/72/01/26/1205720126.db2.gz XQFJQELYNSMSKW-QZTJIDSGSA-N 2 2 377.533 0.762 20 0 GCADLP CC[N@H+]1CC[C@@H](N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001173363671 1205720128 /nfs/dbraw/zinc/72/01/28/1205720128.db2.gz XQFJQELYNSMSKW-QZTJIDSGSA-N 2 2 377.533 0.762 20 0 GCADLP COC(=O)[C@H]1C[C@@H](N2CC[NH+](CCC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173517939 1205723304 /nfs/dbraw/zinc/72/33/04/1205723304.db2.gz TYNZUQWKCIVMJK-RBUKOAKNSA-N 2 2 388.512 0.799 20 0 GCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)CC2 ZINC001173576813 1205724641 /nfs/dbraw/zinc/72/46/41/1205724641.db2.gz PINYKCTTXPHJKK-PHZGNYQRSA-N 2 2 395.500 0.404 20 0 GCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)CC2 ZINC001173576813 1205724642 /nfs/dbraw/zinc/72/46/42/1205724642.db2.gz PINYKCTTXPHJKK-PHZGNYQRSA-N 2 2 395.500 0.404 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)NC(C)(C)C1=O ZINC001095234310 1205725853 /nfs/dbraw/zinc/72/58/53/1205725853.db2.gz PNNJJQUXCUSVGG-CBBWQLFWSA-N 2 2 377.489 0.133 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)NC(C)(C)C1=O ZINC001095234310 1205725854 /nfs/dbraw/zinc/72/58/54/1205725854.db2.gz PNNJJQUXCUSVGG-CBBWQLFWSA-N 2 2 377.489 0.133 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001095234310 1205725855 /nfs/dbraw/zinc/72/58/55/1205725855.db2.gz PNNJJQUXCUSVGG-CBBWQLFWSA-N 2 2 377.489 0.133 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001095234310 1205725856 /nfs/dbraw/zinc/72/58/56/1205725856.db2.gz PNNJJQUXCUSVGG-CBBWQLFWSA-N 2 2 377.489 0.133 20 0 GCADLP C[NH+](C)Cc1ccccc1Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001173929484 1205728927 /nfs/dbraw/zinc/72/89/27/1205728927.db2.gz CTKHRHYSOZUWNE-WOCWXWTJSA-N 2 2 399.451 0.848 20 0 GCADLP C[N@@H+]1CCCn2nc(C(=O)n3ccc(=[NH+]CCN4CCOCC4)c(N)c3)cc2C1 ZINC001175046563 1205734477 /nfs/dbraw/zinc/73/44/77/1205734477.db2.gz DVGPCIIMUWRMAO-UHFFFAOYSA-N 2 2 399.499 0.024 20 0 GCADLP C[N@H+]1CCCn2nc(C(=O)n3ccc(=[NH+]CCN4CCOCC4)c(N)c3)cc2C1 ZINC001175046563 1205734480 /nfs/dbraw/zinc/73/44/80/1205734480.db2.gz DVGPCIIMUWRMAO-UHFFFAOYSA-N 2 2 399.499 0.024 20 0 GCADLP C[N@@H+]1CCCn2nc(C(=O)n3cc(Br)ccc3=NCC[NH3+])cc2C1 ZINC001175104141 1205734786 /nfs/dbraw/zinc/73/47/86/1205734786.db2.gz CWHNMJDSOMBGMY-UHFFFAOYSA-N 2 2 393.289 0.831 20 0 GCADLP C[N@H+]1CCCn2nc(C(=O)n3cc(Br)ccc3=NCC[NH3+])cc2C1 ZINC001175104141 1205734787 /nfs/dbraw/zinc/73/47/87/1205734787.db2.gz CWHNMJDSOMBGMY-UHFFFAOYSA-N 2 2 393.289 0.831 20 0 GCADLP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193063 1205744956 /nfs/dbraw/zinc/74/49/56/1205744956.db2.gz NWZHBEBRZPUXEP-SQNIBIBYSA-N 2 2 377.489 0.538 20 0 GCADLP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193063 1205744957 /nfs/dbraw/zinc/74/49/57/1205744957.db2.gz NWZHBEBRZPUXEP-SQNIBIBYSA-N 2 2 377.489 0.538 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001176381415 1205746245 /nfs/dbraw/zinc/74/62/45/1205746245.db2.gz YKETXWNMFZRNSA-SHBDPFAUSA-N 2 2 393.488 0.555 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001176381415 1205746246 /nfs/dbraw/zinc/74/62/46/1205746246.db2.gz YKETXWNMFZRNSA-SHBDPFAUSA-N 2 2 393.488 0.555 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC001110194964 1205747430 /nfs/dbraw/zinc/74/74/30/1205747430.db2.gz KCUSVDFNZWQZMK-FZCLSBEQSA-N 2 2 378.473 0.161 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COC1CCOCC1 ZINC001110194964 1205747431 /nfs/dbraw/zinc/74/74/31/1205747431.db2.gz KCUSVDFNZWQZMK-FZCLSBEQSA-N 2 2 378.473 0.161 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC001111502533 1205749291 /nfs/dbraw/zinc/74/92/91/1205749291.db2.gz KCUSVDFNZWQZMK-ATLSCFEFSA-N 2 2 378.473 0.161 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COC1CCOCC1 ZINC001111502533 1205749293 /nfs/dbraw/zinc/74/92/93/1205749293.db2.gz KCUSVDFNZWQZMK-ATLSCFEFSA-N 2 2 378.473 0.161 20 0 GCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001177085097 1205761399 /nfs/dbraw/zinc/76/13/99/1205761399.db2.gz SOWYMCQWTLBASJ-AWEZNQCLSA-N 2 2 387.444 0.641 20 0 GCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001177085097 1205761400 /nfs/dbraw/zinc/76/14/00/1205761400.db2.gz SOWYMCQWTLBASJ-AWEZNQCLSA-N 2 2 387.444 0.641 20 0 GCADLP C[NH+]1CCC(CO)(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)CC1 ZINC001177093741 1205762322 /nfs/dbraw/zinc/76/23/22/1205762322.db2.gz GXOALVYDTZRRGZ-AWEZNQCLSA-N 2 2 381.477 0.418 20 0 GCADLP C[NH+]1CCC(CO)(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)CC1 ZINC001177093741 1205762324 /nfs/dbraw/zinc/76/23/24/1205762324.db2.gz GXOALVYDTZRRGZ-AWEZNQCLSA-N 2 2 381.477 0.418 20 0 GCADLP C[C@H](C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1)n1cc[nH+]c1 ZINC001177923286 1205779491 /nfs/dbraw/zinc/77/94/91/1205779491.db2.gz XIUIAWJFSNCYDG-NVXWUHKLSA-N 2 2 387.488 0.811 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)[C@@H]2NCN[C@@H]21 ZINC001178592954 1205789735 /nfs/dbraw/zinc/78/97/35/1205789735.db2.gz ANSATRMJIKDMSK-NRSPTQNISA-N 2 2 392.507 0.227 20 0 GCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@@H](CO)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001179015238 1205799590 /nfs/dbraw/zinc/79/95/90/1205799590.db2.gz URLCZAMBBMIOFU-QGZVFWFLSA-N 2 2 377.489 0.152 20 0 GCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@@H](CO)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001179015238 1205799591 /nfs/dbraw/zinc/79/95/91/1205799591.db2.gz URLCZAMBBMIOFU-QGZVFWFLSA-N 2 2 377.489 0.152 20 0 GCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001179028843 1205800594 /nfs/dbraw/zinc/80/05/94/1205800594.db2.gz FCIIAFKOIIXPTD-ZIAGYGMSSA-N 2 2 397.476 0.455 20 0 GCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001179028843 1205800596 /nfs/dbraw/zinc/80/05/96/1205800596.db2.gz FCIIAFKOIIXPTD-ZIAGYGMSSA-N 2 2 397.476 0.455 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCC[C@@H]3O)CC2)C1=O ZINC001181088883 1205838465 /nfs/dbraw/zinc/83/84/65/1205838465.db2.gz XDVYXPOFJYMFGQ-SJORKVTESA-N 2 2 380.533 0.234 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCC[C@@H]3O)CC2)C1=O ZINC001181088883 1205838466 /nfs/dbraw/zinc/83/84/66/1205838466.db2.gz XDVYXPOFJYMFGQ-SJORKVTESA-N 2 2 380.533 0.234 20 0 GCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@]2(C1)COCC[NH+](CC(=O)NC)C2 ZINC001181991546 1205852821 /nfs/dbraw/zinc/85/28/21/1205852821.db2.gz ALAYOTWEDQZRQT-PXNSSMCTSA-N 2 2 380.533 0.548 20 0 GCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@]2(C1)COCC[NH+](CC(=O)NC)C2 ZINC001181991546 1205852824 /nfs/dbraw/zinc/85/28/24/1205852824.db2.gz ALAYOTWEDQZRQT-PXNSSMCTSA-N 2 2 380.533 0.548 20 0 GCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001181991546 1205852826 /nfs/dbraw/zinc/85/28/26/1205852826.db2.gz ALAYOTWEDQZRQT-PXNSSMCTSA-N 2 2 380.533 0.548 20 0 GCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001181991546 1205852828 /nfs/dbraw/zinc/85/28/28/1205852828.db2.gz ALAYOTWEDQZRQT-PXNSSMCTSA-N 2 2 380.533 0.548 20 0 GCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[NH+]3C)C1 ZINC001181975274 1205853334 /nfs/dbraw/zinc/85/33/34/1205853334.db2.gz BNDMWUAQYZPDBG-SFHVURJKSA-N 3 2 393.576 0.414 20 0 GCADLP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[NH+]3C)C1 ZINC001181975274 1205853335 /nfs/dbraw/zinc/85/33/35/1205853335.db2.gz BNDMWUAQYZPDBG-SFHVURJKSA-N 3 2 393.576 0.414 20 0 GCADLP CC(C)[NH+]1CC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001181975274 1205853336 /nfs/dbraw/zinc/85/33/36/1205853336.db2.gz BNDMWUAQYZPDBG-SFHVURJKSA-N 3 2 393.576 0.414 20 0 GCADLP CC(C)[NH+]1CC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001181975274 1205853337 /nfs/dbraw/zinc/85/33/37/1205853337.db2.gz BNDMWUAQYZPDBG-SFHVURJKSA-N 3 2 393.576 0.414 20 0 GCADLP C[NH+]1CCC(O)(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001182028769 1205853738 /nfs/dbraw/zinc/85/37/38/1205853738.db2.gz DQRIBYFCQUTBIX-UHFFFAOYSA-N 2 2 377.485 0.471 20 0 GCADLP O=C(N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)[C@@H]1CSCC(=O)N1 ZINC001273474063 1205860958 /nfs/dbraw/zinc/86/09/58/1205860958.db2.gz MOUWSMIHMWSNIT-QGTPRVQTSA-N 2 2 377.514 0.666 20 0 GCADLP COC1(OC)CC(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001182468797 1205872605 /nfs/dbraw/zinc/87/26/05/1205872605.db2.gz GVXVFSBULDDJBH-UHFFFAOYSA-N 2 2 396.532 0.082 20 0 GCADLP COC1(OC)CC(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001182468797 1205872607 /nfs/dbraw/zinc/87/26/07/1205872607.db2.gz GVXVFSBULDDJBH-UHFFFAOYSA-N 2 2 396.532 0.082 20 0 GCADLP CC(C)[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)[NH+](C)C ZINC001183359956 1205891348 /nfs/dbraw/zinc/89/13/48/1205891348.db2.gz KZFPPZDKOMLSMJ-QGZVFWFLSA-N 3 2 381.565 0.269 20 0 GCADLP CC(C)[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)[NH+](C)C ZINC001183359956 1205891350 /nfs/dbraw/zinc/89/13/50/1205891350.db2.gz KZFPPZDKOMLSMJ-QGZVFWFLSA-N 3 2 381.565 0.269 20 0 GCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C12CCC[NH+]1CCC2 ZINC001183557662 1205895035 /nfs/dbraw/zinc/89/50/35/1205895035.db2.gz SRICDAJOYCCSQS-QFBILLFUSA-N 2 2 379.501 0.870 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C=CN=C4N=CC=C43)CC2)C1=O ZINC001183586915 1205895900 /nfs/dbraw/zinc/89/59/00/1205895900.db2.gz CXHCIOQMBRVMOO-KRWDZBQOSA-N 2 2 398.511 0.236 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C=CN=C4N=CC=C43)CC2)C1=O ZINC001183586915 1205895903 /nfs/dbraw/zinc/89/59/03/1205895903.db2.gz CXHCIOQMBRVMOO-KRWDZBQOSA-N 2 2 398.511 0.236 20 0 GCADLP C[N@H+](CC(=O)NC[C@H]1C[NH+](C)CCO1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814158 1205900438 /nfs/dbraw/zinc/90/04/38/1205900438.db2.gz BCBDNEGZRXMBRY-HOTGVXAUSA-N 2 2 384.521 0.765 20 0 GCADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+](C)CCO1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814158 1205900439 /nfs/dbraw/zinc/90/04/39/1205900439.db2.gz BCBDNEGZRXMBRY-HOTGVXAUSA-N 2 2 384.521 0.765 20 0 GCADLP C[NH+](CC(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814158 1205900440 /nfs/dbraw/zinc/90/04/40/1205900440.db2.gz BCBDNEGZRXMBRY-HOTGVXAUSA-N 2 2 384.521 0.765 20 0 GCADLP C[NH+](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814158 1205900441 /nfs/dbraw/zinc/90/04/41/1205900441.db2.gz BCBDNEGZRXMBRY-HOTGVXAUSA-N 2 2 384.521 0.765 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[C@@H]2NCN[C@@H]21 ZINC001184404856 1205909023 /nfs/dbraw/zinc/90/90/23/1205909023.db2.gz MTGMWFUZSDFCPQ-DZUCGIPZSA-N 2 2 378.908 0.071 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[C@@H]2NCN[C@@H]21 ZINC001184404856 1205909024 /nfs/dbraw/zinc/90/90/24/1205909024.db2.gz MTGMWFUZSDFCPQ-DZUCGIPZSA-N 2 2 378.908 0.071 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CC[C@H](CO)CC3)CC2)C1=O ZINC001184752625 1205913232 /nfs/dbraw/zinc/91/32/32/1205913232.db2.gz VQIXMXSTSXRQCK-IYARVYRRSA-N 2 2 394.560 0.482 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CC[C@H](CO)CC3)CC2)C1=O ZINC001184752625 1205913234 /nfs/dbraw/zinc/91/32/34/1205913234.db2.gz VQIXMXSTSXRQCK-IYARVYRRSA-N 2 2 394.560 0.482 20 0 GCADLP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001185224560 1205918172 /nfs/dbraw/zinc/91/81/72/1205918172.db2.gz IYKLFKHBEDECMZ-KRWDZBQOSA-N 2 2 384.484 0.660 20 0 GCADLP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001185224560 1205918174 /nfs/dbraw/zinc/91/81/74/1205918174.db2.gz IYKLFKHBEDECMZ-KRWDZBQOSA-N 2 2 384.484 0.660 20 0 GCADLP CCOC(=O)C1(NC(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)CC[NH+](C)CC1 ZINC001185235635 1205918624 /nfs/dbraw/zinc/91/86/24/1205918624.db2.gz QCTGEZVGUNXBCF-KRWDZBQOSA-N 2 2 377.485 0.623 20 0 GCADLP CCOC(=O)C1(NC(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)CC[NH+](C)CC1 ZINC001185235635 1205918625 /nfs/dbraw/zinc/91/86/25/1205918625.db2.gz QCTGEZVGUNXBCF-KRWDZBQOSA-N 2 2 377.485 0.623 20 0 GCADLP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]2C[N@H+](C)CCN2C)S(C)(=O)=O)c(F)c1 ZINC001185269146 1205920365 /nfs/dbraw/zinc/92/03/65/1205920365.db2.gz JXMRUKUKJCXUMJ-YGRLFVJLSA-N 2 2 390.456 0.523 20 0 GCADLP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]2C[N@@H+](C)CCN2C)S(C)(=O)=O)c(F)c1 ZINC001185269146 1205920366 /nfs/dbraw/zinc/92/03/66/1205920366.db2.gz JXMRUKUKJCXUMJ-YGRLFVJLSA-N 2 2 390.456 0.523 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(O)cc3F)CC2)C1=O ZINC001186327457 1205937713 /nfs/dbraw/zinc/93/77/13/1205937713.db2.gz NZHHUNLNJSKGNK-UHFFFAOYSA-N 2 2 392.475 0.842 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(O)cc3F)CC2)C1=O ZINC001186327457 1205937714 /nfs/dbraw/zinc/93/77/14/1205937714.db2.gz NZHHUNLNJSKGNK-UHFFFAOYSA-N 2 2 392.475 0.842 20 0 GCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001186904994 1205951305 /nfs/dbraw/zinc/95/13/05/1205951305.db2.gz GFHVGXIRUYWZSX-QGZVFWFLSA-N 2 2 385.468 0.686 20 0 GCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)O1 ZINC001187449608 1205962784 /nfs/dbraw/zinc/96/27/84/1205962784.db2.gz INMMYVCVYIKWEL-QWFCFKBJSA-N 2 2 377.485 0.973 20 0 GCADLP CC(C)C[NH+]1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001164650909 719330023 /nfs/dbraw/zinc/33/00/23/719330023.db2.gz AGCCQQSHBGXGBW-UHFFFAOYSA-N 2 2 391.520 0.323 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)C4CCC4)[C@H]4COC[C@@H]43)[nH+]2)CC1 ZINC001164846220 720802074 /nfs/dbraw/zinc/80/20/74/720802074.db2.gz IOYYVJGYUPXMPU-SQNIBIBYSA-N 2 2 385.512 0.953 20 0 GCADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4[nH]cc(C(=O)OC)c43)CC[C@H]2C1 ZINC001164854070 720862688 /nfs/dbraw/zinc/86/26/88/720862688.db2.gz IVKQNSRLNFICIF-DZGCQCFKSA-N 2 2 389.456 0.918 20 0 GCADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4[nH]cc(C(=O)OC)c43)CC[C@H]2C1 ZINC001164854070 720862689 /nfs/dbraw/zinc/86/26/89/720862689.db2.gz IVKQNSRLNFICIF-DZGCQCFKSA-N 2 2 389.456 0.918 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@H]4OCCN(c5cnccn5)[C@H]4C3)[nH+]2)CC1 ZINC001164765378 721262898 /nfs/dbraw/zinc/26/28/98/721262898.db2.gz KSFRUXVHXHCGPV-DLBZAZTESA-N 2 2 381.484 0.717 20 0 GCADLP Cc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc(N(C)C)[nH+]1 ZINC001164869870 721263212 /nfs/dbraw/zinc/26/32/12/721263212.db2.gz RIOQEWWERODNEE-UHFFFAOYSA-N 2 2 390.532 0.858 20 0 GCADLP Cc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc(N(C)C)[nH+]1 ZINC001164869870 721263216 /nfs/dbraw/zinc/26/32/16/721263216.db2.gz RIOQEWWERODNEE-UHFFFAOYSA-N 2 2 390.532 0.858 20 0 GCADLP Cc1nc(N(C)C)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164869870 721263219 /nfs/dbraw/zinc/26/32/19/721263219.db2.gz RIOQEWWERODNEE-UHFFFAOYSA-N 2 2 390.532 0.858 20 0 GCADLP Cc1nc(N(C)C)cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164869870 721263222 /nfs/dbraw/zinc/26/32/22/721263222.db2.gz RIOQEWWERODNEE-UHFFFAOYSA-N 2 2 390.532 0.858 20 0 GCADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001164927924 721876247 /nfs/dbraw/zinc/87/62/47/721876247.db2.gz XFWFYEAZTIOTMP-MSOLQXFVSA-N 2 2 387.532 0.131 20 0 GCADLP C[NH+]1CCN(c2cccc(N3CCC[C@@H]4CN(S(C)(=O)=O)C[C@@H]43)[nH+]2)CC1 ZINC001164949433 721984267 /nfs/dbraw/zinc/98/42/67/721984267.db2.gz QDTCVSDEZHDAHH-CVEARBPZSA-N 2 2 379.530 0.694 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571293286 946101716 /nfs/dbraw/zinc/10/17/16/946101716.db2.gz DHRJUDSECIINTN-BBRMVZONSA-N 2 2 389.435 0.027 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571293286 946101722 /nfs/dbraw/zinc/10/17/22/946101722.db2.gz DHRJUDSECIINTN-BBRMVZONSA-N 2 2 389.435 0.027 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571293981 946123478 /nfs/dbraw/zinc/12/34/78/946123478.db2.gz XKKUFAYFCQEBMZ-GOEBONIOSA-N 2 2 389.435 0.027 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571293981 946123486 /nfs/dbraw/zinc/12/34/86/946123486.db2.gz XKKUFAYFCQEBMZ-GOEBONIOSA-N 2 2 389.435 0.027 20 0 GCADLP Cn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826038034 947416367 /nfs/dbraw/zinc/41/63/67/947416367.db2.gz GXCBQADQLCIUFL-UHFFFAOYSA-N 2 2 395.471 0.131 20 0 GCADLP Cc1onc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826342934 947985427 /nfs/dbraw/zinc/98/54/27/947985427.db2.gz GEGWDWJRFZKPKV-CQSZACIVSA-N 2 2 388.476 0.333 20 0 GCADLP Cc1onc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826342934 947985431 /nfs/dbraw/zinc/98/54/31/947985431.db2.gz GEGWDWJRFZKPKV-CQSZACIVSA-N 2 2 388.476 0.333 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000897999030 948467796 /nfs/dbraw/zinc/46/77/96/948467796.db2.gz YAXPUNJGAYILSJ-UHFFFAOYSA-N 2 2 384.488 0.894 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000897999030 948467814 /nfs/dbraw/zinc/46/78/14/948467814.db2.gz YAXPUNJGAYILSJ-UHFFFAOYSA-N 2 2 384.488 0.894 20 0 GCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574920887 948908312 /nfs/dbraw/zinc/90/83/12/948908312.db2.gz QDAZBCLJMJPBME-LBPRGKRZSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574942399 949355396 /nfs/dbraw/zinc/35/53/96/949355396.db2.gz NRJNADSSVJVJNT-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574942399 949355420 /nfs/dbraw/zinc/35/54/20/949355420.db2.gz NRJNADSSVJVJNT-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574943803 949382592 /nfs/dbraw/zinc/38/25/92/949382592.db2.gz YTPNTJGRTNVRLA-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574943803 949382623 /nfs/dbraw/zinc/38/26/23/949382623.db2.gz YTPNTJGRTNVRLA-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711804 949555369 /nfs/dbraw/zinc/55/53/69/949555369.db2.gz MLDMSBQELMJGBO-OLZOCXBDSA-N 2 2 381.444 0.402 20 0 GCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574958239 949659809 /nfs/dbraw/zinc/65/98/09/949659809.db2.gz HKEBZEJKIHEMNU-JHJVBQTASA-N 2 2 381.444 0.385 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574959368 949707056 /nfs/dbraw/zinc/70/70/56/949707056.db2.gz QNZIOGBJHLKZNS-DAXOMENPSA-N 2 2 380.456 0.998 20 0 GCADLP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171297 949755424 /nfs/dbraw/zinc/75/54/24/949755424.db2.gz QDDNCFGGPBHWLA-CZUORRHYSA-N 2 2 381.444 0.619 20 0 GCADLP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171293 949758553 /nfs/dbraw/zinc/75/85/53/949758553.db2.gz QDDNCFGGPBHWLA-CJNGLKHVSA-N 2 2 381.444 0.619 20 0 GCADLP C[C@H](CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574485686 949925672 /nfs/dbraw/zinc/92/56/72/949925672.db2.gz YUVKVJVTWRVSBG-ZIAGYGMSSA-N 2 2 381.444 0.934 20 0 GCADLP C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574492347 950076306 /nfs/dbraw/zinc/07/63/06/950076306.db2.gz AJSKYZOGBIHPJD-DZGCQCFKSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574494760 950183270 /nfs/dbraw/zinc/18/32/70/950183270.db2.gz NVYICVINXMRETA-XJKSGUPXSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574497903 950247695 /nfs/dbraw/zinc/24/76/95/950247695.db2.gz GABLOHOHZZNJEV-NEPJUHHUSA-N 2 2 390.473 0.343 20 0 GCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576197420 950389025 /nfs/dbraw/zinc/38/90/25/950389025.db2.gz NJKPJAXIPYRTMN-RHSMWYFYSA-N 2 2 384.488 0.674 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001576204113 950460865 /nfs/dbraw/zinc/46/08/65/950460865.db2.gz LYFGGGQQDQGZOT-CZUORRHYSA-N 2 2 386.504 0.968 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001576204113 950460872 /nfs/dbraw/zinc/46/08/72/950460872.db2.gz LYFGGGQQDQGZOT-CZUORRHYSA-N 2 2 386.504 0.968 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001576204339 950463328 /nfs/dbraw/zinc/46/33/28/950463328.db2.gz OERVVHKUOQEOSJ-GRDNDAEWSA-N 2 2 382.472 0.641 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001576204339 950463341 /nfs/dbraw/zinc/46/33/41/950463341.db2.gz OERVVHKUOQEOSJ-GRDNDAEWSA-N 2 2 382.472 0.641 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001576205071 950492148 /nfs/dbraw/zinc/49/21/48/950492148.db2.gz GNKQFOPVQSFFIK-CYBMUJFWSA-N 2 2 387.463 0.896 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001576205071 950492169 /nfs/dbraw/zinc/49/21/69/950492169.db2.gz GNKQFOPVQSFFIK-CYBMUJFWSA-N 2 2 387.463 0.896 20 0 GCADLP CC1CC[NH+](CC(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576206230 950566739 /nfs/dbraw/zinc/56/67/39/950566739.db2.gz VSMBIZRSMBPQOK-OAHLLOKOSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574999273 950574354 /nfs/dbraw/zinc/57/43/54/950574354.db2.gz IDSRCDDOWCFJFP-GFCCVEGCSA-N 2 2 384.444 0.824 20 0 GCADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574999667 950584783 /nfs/dbraw/zinc/58/47/83/950584783.db2.gz LHKOKJXOHMFYDT-LBPRGKRZSA-N 2 2 384.444 0.824 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079954 951700756 /nfs/dbraw/zinc/70/07/56/951700756.db2.gz UFDQGDUOUWJRQD-GFCCVEGCSA-N 2 2 386.435 0.824 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575089476 951751783 /nfs/dbraw/zinc/75/17/83/951751783.db2.gz GDLIGIULQWYTBT-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575089476 951751796 /nfs/dbraw/zinc/75/17/96/951751796.db2.gz GDLIGIULQWYTBT-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575098110 951818811 /nfs/dbraw/zinc/81/88/11/951818811.db2.gz ASJZSTDUZIXEJK-WCQYABFASA-N 2 2 379.490 0.195 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575098110 951818817 /nfs/dbraw/zinc/81/88/17/951818817.db2.gz ASJZSTDUZIXEJK-WCQYABFASA-N 2 2 379.490 0.195 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102991 951871328 /nfs/dbraw/zinc/87/13/28/951871328.db2.gz PZLCAKNTQCENEK-LRDDRELGSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102991 951871331 /nfs/dbraw/zinc/87/13/31/951871331.db2.gz PZLCAKNTQCENEK-LRDDRELGSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575104881 951890613 /nfs/dbraw/zinc/89/06/13/951890613.db2.gz FYVXAGIYWOMUAZ-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575104881 951890620 /nfs/dbraw/zinc/89/06/20/951890620.db2.gz FYVXAGIYWOMUAZ-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001575145014 952177604 /nfs/dbraw/zinc/17/76/04/952177604.db2.gz OEUJNPPKWMVAPR-OLZOCXBDSA-N 2 2 381.444 0.402 20 0 GCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001575145497 952186345 /nfs/dbraw/zinc/18/63/45/952186345.db2.gz YSDKLVWQBFSBTO-QWHCGFSZSA-N 2 2 381.444 0.402 20 0 GCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571147029 952656606 /nfs/dbraw/zinc/65/66/06/952656606.db2.gz QLJCGMLHRPDGHL-STQMWFEESA-N 2 2 379.428 0.156 20 0 GCADLP Cc1cc(N2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187805 952909838 /nfs/dbraw/zinc/90/98/38/952909838.db2.gz CEGCJCLWMGUHAP-CYBMUJFWSA-N 2 2 381.444 0.583 20 0 GCADLP Cc1cc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187876 952910396 /nfs/dbraw/zinc/91/03/96/952910396.db2.gz CKFOQAMCLIHBGY-YPMHNXCESA-N 2 2 381.444 0.464 20 0 GCADLP Cc1cc(N2CCCN(C(=O)CCn3cc[nH+]c3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189104 952923827 /nfs/dbraw/zinc/92/38/27/952923827.db2.gz SBYXXYVCNTZWPF-UHFFFAOYSA-N 2 2 381.444 0.896 20 0 GCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001571238870 953233256 /nfs/dbraw/zinc/23/32/56/953233256.db2.gz BLHJBFKQUQENCU-WBMJQRKESA-N 2 2 384.419 0.982 20 0 GCADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001571238866 953233481 /nfs/dbraw/zinc/23/34/81/953233481.db2.gz BLHJBFKQUQENCU-LRDDRELGSA-N 2 2 384.419 0.982 20 0 GCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571240037 953245514 /nfs/dbraw/zinc/24/55/14/953245514.db2.gz YCFLGOQDBJRTQO-CQSZACIVSA-N 2 2 384.419 0.971 20 0 GCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000647847373 530137308 /nfs/dbraw/zinc/13/73/08/530137308.db2.gz MMSSOPDNOMIHNS-UHFFFAOYSA-N 2 2 388.921 0.454 20 0 GCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000647847373 530137310 /nfs/dbraw/zinc/13/73/10/530137310.db2.gz MMSSOPDNOMIHNS-UHFFFAOYSA-N 2 2 388.921 0.454 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419035521 530141159 /nfs/dbraw/zinc/14/11/59/530141159.db2.gz ADTVYIJDIQJTLS-UHFFFAOYSA-N 2 2 396.289 0.742 20 0 GCADLP CC[NH+]1CCC(NC(=O)C[N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000533520513 530141980 /nfs/dbraw/zinc/14/19/80/530141980.db2.gz CBIHTFGKJUZBPU-MRXNPFEDSA-N 2 2 375.535 0.113 20 0 GCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000533520513 530141984 /nfs/dbraw/zinc/14/19/84/530141984.db2.gz CBIHTFGKJUZBPU-MRXNPFEDSA-N 2 2 375.535 0.113 20 0 GCADLP C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584230465 530205929 /nfs/dbraw/zinc/20/59/29/530205929.db2.gz HIKIDYVHRQIEHC-NXEZZACHSA-N 2 2 389.319 0.730 20 0 GCADLP C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584230465 530205931 /nfs/dbraw/zinc/20/59/31/530205931.db2.gz HIKIDYVHRQIEHC-NXEZZACHSA-N 2 2 389.319 0.730 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000569351286 530228081 /nfs/dbraw/zinc/22/80/81/530228081.db2.gz WWVNOKYACCRHSW-IJEWVQPXSA-N 2 2 375.535 0.003 20 0 GCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000569351286 530228082 /nfs/dbraw/zinc/22/80/82/530228082.db2.gz WWVNOKYACCRHSW-IJEWVQPXSA-N 2 2 375.535 0.003 20 0 GCADLP CSCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000269259476 530236920 /nfs/dbraw/zinc/23/69/20/530236920.db2.gz VIBFQRQKUXVWAC-OAHLLOKOSA-N 2 2 386.543 0.642 20 0 GCADLP C[C@H]1C[NH+]=C(N2CC[NH+](CCOc3ccc(S(N)(=O)=O)cc3)CC2)S1 ZINC000267079263 530208281 /nfs/dbraw/zinc/20/82/81/530208281.db2.gz QKKBQFKTACHTPX-ZDUSSCGKSA-N 2 2 384.527 0.822 20 0 GCADLP C[NH+](C)[C@@]1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCSC1 ZINC000531128489 530282035 /nfs/dbraw/zinc/28/20/35/530282035.db2.gz RFCHBJYWIGZUCI-IAGOWNOFSA-N 2 2 388.603 0.931 20 0 GCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ncc(I)s2)CC1 ZINC000586776496 530307990 /nfs/dbraw/zinc/30/79/90/530307990.db2.gz VFUWNAPCQRFXBA-UHFFFAOYSA-N 2 2 380.255 0.611 20 0 GCADLP CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000570739676 530324371 /nfs/dbraw/zinc/32/43/71/530324371.db2.gz RQUAEZKOFFBTJZ-CYBMUJFWSA-N 2 2 391.519 0.040 20 0 GCADLP CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000570739676 530324374 /nfs/dbraw/zinc/32/43/74/530324374.db2.gz RQUAEZKOFFBTJZ-CYBMUJFWSA-N 2 2 391.519 0.040 20 0 GCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@H](C[NH3+])C1 ZINC000162403051 530333176 /nfs/dbraw/zinc/33/31/76/530333176.db2.gz WMXPYFDQOUFCHX-CYBMUJFWSA-N 2 2 386.543 0.176 20 0 GCADLP C[N@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@H](C[NH3+])C1 ZINC000162403051 530333177 /nfs/dbraw/zinc/33/31/77/530333177.db2.gz WMXPYFDQOUFCHX-CYBMUJFWSA-N 2 2 386.543 0.176 20 0 GCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132904 530368258 /nfs/dbraw/zinc/36/82/58/530368258.db2.gz BTOATMMTWOBWGB-STQMWFEESA-N 2 2 392.257 0.201 20 0 GCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132904 530368259 /nfs/dbraw/zinc/36/82/59/530368259.db2.gz BTOATMMTWOBWGB-STQMWFEESA-N 2 2 392.257 0.201 20 0 GCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@H](C[NH3+])C1 ZINC000580190120 530337815 /nfs/dbraw/zinc/33/78/15/530337815.db2.gz UCSZAFFMSZEMSS-CHWSQXEVSA-N 2 2 395.301 0.903 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@H](C[NH3+])C1 ZINC000580190120 530337817 /nfs/dbraw/zinc/33/78/17/530337817.db2.gz UCSZAFFMSZEMSS-CHWSQXEVSA-N 2 2 395.301 0.903 20 0 GCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@H](C[NH3+])C1 ZINC000580190123 530338064 /nfs/dbraw/zinc/33/80/64/530338064.db2.gz UCSZAFFMSZEMSS-QWHCGFSZSA-N 2 2 395.301 0.903 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@H](C[NH3+])C1 ZINC000580190123 530338066 /nfs/dbraw/zinc/33/80/66/530338066.db2.gz UCSZAFFMSZEMSS-QWHCGFSZSA-N 2 2 395.301 0.903 20 0 GCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000562996536 530346713 /nfs/dbraw/zinc/34/67/13/530346713.db2.gz LLSDWCOUIPPCRJ-VNHYZAJKSA-N 2 2 391.559 0.395 20 0 GCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000562996536 530346714 /nfs/dbraw/zinc/34/67/14/530346714.db2.gz LLSDWCOUIPPCRJ-VNHYZAJKSA-N 2 2 391.559 0.395 20 0 GCADLP CCS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563013384 530350151 /nfs/dbraw/zinc/35/01/51/530350151.db2.gz JHTXVEVDCGMRHK-HLLBOEOZSA-N 2 2 377.551 0.108 20 0 GCADLP CCS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563013384 530350153 /nfs/dbraw/zinc/35/01/53/530350153.db2.gz JHTXVEVDCGMRHK-HLLBOEOZSA-N 2 2 377.551 0.108 20 0 GCADLP CN(C(=O)c1ccc(S(N)(=O)=O)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472726 530393167 /nfs/dbraw/zinc/39/31/67/530393167.db2.gz PZYLWHMJQVHMJM-ZDUSSCGKSA-N 2 2 386.543 0.636 20 0 GCADLP CN(C(=O)c1ccc(S(N)(=O)=O)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472726 530393170 /nfs/dbraw/zinc/39/31/70/530393170.db2.gz PZYLWHMJQVHMJM-ZDUSSCGKSA-N 2 2 386.543 0.636 20 0 GCADLP C[NH+](C)CCCS(=O)(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601515155 530478523 /nfs/dbraw/zinc/47/85/23/530478523.db2.gz HXAIAWWJHDYRIK-UHFFFAOYSA-N 2 2 387.571 0.622 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000050801261 530508540 /nfs/dbraw/zinc/50/85/40/530508540.db2.gz ZLCODBRDAUPSEB-MRXNPFEDSA-N 2 2 389.587 0.582 20 0 GCADLP CCN(C(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430596586 530502138 /nfs/dbraw/zinc/50/21/38/530502138.db2.gz JPPGKNHBKDEAOA-LSDHHAIUSA-N 2 2 375.535 0.240 20 0 GCADLP CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000568663657 530561850 /nfs/dbraw/zinc/56/18/50/530561850.db2.gz DOIQRAQOPPBHEV-CYBMUJFWSA-N 2 2 393.535 0.287 20 0 GCADLP CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000568663657 530561852 /nfs/dbraw/zinc/56/18/52/530561852.db2.gz DOIQRAQOPPBHEV-CYBMUJFWSA-N 2 2 393.535 0.287 20 0 GCADLP [NH3+]CCOCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000583500622 530576106 /nfs/dbraw/zinc/57/61/06/530576106.db2.gz QRZNEXGKGDZGPV-UHFFFAOYSA-N 2 2 392.319 0.731 20 0 GCADLP CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCn1cc[nH+]c1 ZINC000573236516 530577186 /nfs/dbraw/zinc/57/71/86/530577186.db2.gz CGKDKLSKJMKCST-UHFFFAOYSA-N 2 2 386.499 0.197 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769719 530624561 /nfs/dbraw/zinc/62/45/61/530624561.db2.gz UMSFBTGMQLEZGJ-KFWWJZLASA-N 2 2 393.285 0.798 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769719 530624563 /nfs/dbraw/zinc/62/45/63/530624563.db2.gz UMSFBTGMQLEZGJ-KFWWJZLASA-N 2 2 393.285 0.798 20 0 GCADLP O=S(=O)(CCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577530082 530621762 /nfs/dbraw/zinc/62/17/62/530621762.db2.gz AJRXJKJFJXYSPD-ZDUSSCGKSA-N 2 2 391.519 0.041 20 0 GCADLP O=S(=O)(CCCCS(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577530082 530621764 /nfs/dbraw/zinc/62/17/64/530621764.db2.gz AJRXJKJFJXYSPD-ZDUSSCGKSA-N 2 2 391.519 0.041 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000462902209 530655016 /nfs/dbraw/zinc/65/50/16/530655016.db2.gz IGKBBIZCIMDFAS-HOTGVXAUSA-N 2 2 375.535 0.854 20 0 GCADLP C[NH+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000464652731 530663704 /nfs/dbraw/zinc/66/37/04/530663704.db2.gz ZWHFEJUUFZBWCU-UHFFFAOYSA-N 2 2 384.483 0.144 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000465915664 530667621 /nfs/dbraw/zinc/66/76/21/530667621.db2.gz AMZNKRHKWHZPFO-JKSUJKDBSA-N 2 2 376.567 0.867 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000465915664 530667626 /nfs/dbraw/zinc/66/76/26/530667626.db2.gz AMZNKRHKWHZPFO-JKSUJKDBSA-N 2 2 376.567 0.867 20 0 GCADLP O=S(=O)(CCCCS(=O)(=O)N1CCc2c[nH+]ccc21)Nc1c[nH+]c[nH]1 ZINC000579024065 530738261 /nfs/dbraw/zinc/73/82/61/530738261.db2.gz ABXXMASLVIZGIV-UHFFFAOYSA-N 2 2 385.471 0.719 20 0 GCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000477574390 530745307 /nfs/dbraw/zinc/74/53/07/530745307.db2.gz KCBDBDBSEZYPPT-UHFFFAOYSA-N 2 2 375.564 0.389 20 0 GCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Br)cn1 ZINC000486474059 530804922 /nfs/dbraw/zinc/80/49/22/530804922.db2.gz WCOBWOWQBAGBMQ-ZDUSSCGKSA-N 2 2 396.289 0.679 20 0 GCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Br)cn1 ZINC000486474059 530804925 /nfs/dbraw/zinc/80/49/25/530804925.db2.gz WCOBWOWQBAGBMQ-ZDUSSCGKSA-N 2 2 396.289 0.679 20 0 GCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Br)cn1 ZINC000486474058 530804943 /nfs/dbraw/zinc/80/49/43/530804943.db2.gz WCOBWOWQBAGBMQ-CYBMUJFWSA-N 2 2 396.289 0.679 20 0 GCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Br)cn1 ZINC000486474058 530804945 /nfs/dbraw/zinc/80/49/45/530804945.db2.gz WCOBWOWQBAGBMQ-CYBMUJFWSA-N 2 2 396.289 0.679 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[C@H](C[NH3+])C1 ZINC000582903922 530856130 /nfs/dbraw/zinc/85/61/30/530856130.db2.gz RMVRGFRGOQDQGJ-CHWSQXEVSA-N 2 2 395.301 0.903 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000653057813 530861727 /nfs/dbraw/zinc/86/17/27/530861727.db2.gz RCUYGYAVWBEMLA-HNNXBMFYSA-N 2 2 388.921 0.452 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000653059809 530862137 /nfs/dbraw/zinc/86/21/37/530862137.db2.gz OCTJGMYIJPFDEV-CQSZACIVSA-N 2 2 388.921 0.452 20 0 GCADLP CC(C)[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000656376773 530840415 /nfs/dbraw/zinc/84/04/15/530840415.db2.gz OCYRNVWOCJIBBS-ZDUSSCGKSA-N 2 2 393.535 0.143 20 0 GCADLP CC(C)C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000521899324 530912684 /nfs/dbraw/zinc/91/26/84/530912684.db2.gz RQSJGFOEYYTFJT-UHFFFAOYSA-N 2 2 393.535 0.145 20 0 GCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419842997 530962851 /nfs/dbraw/zinc/96/28/51/530962851.db2.gz CGSGTAJZNKEQQZ-UHFFFAOYSA-N 2 2 394.273 0.971 20 0 GCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419890139 530963810 /nfs/dbraw/zinc/96/38/10/530963810.db2.gz HWJSWJJRQNQKNB-LLVKDONJSA-N 2 2 380.246 0.581 20 0 GCADLP C[NH+]1CCN(CCCS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000631786184 530947843 /nfs/dbraw/zinc/94/78/43/530947843.db2.gz SEWJMYACBSUHLT-UHFFFAOYSA-N 2 2 386.587 0.663 20 0 GCADLP C[NH+]1CCN(CCCS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000631786184 530947848 /nfs/dbraw/zinc/94/78/48/530947848.db2.gz SEWJMYACBSUHLT-UHFFFAOYSA-N 2 2 386.587 0.663 20 0 GCADLP CNS(=O)(=O)c1csc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000176380277 530950989 /nfs/dbraw/zinc/95/09/89/530950989.db2.gz PREWUYLWPVGSEM-UHFFFAOYSA-N 2 2 388.559 0.754 20 0 GCADLP CNS(=O)(=O)c1csc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000176380277 530950990 /nfs/dbraw/zinc/95/09/90/530950990.db2.gz PREWUYLWPVGSEM-UHFFFAOYSA-N 2 2 388.559 0.754 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])[nH+]c12 ZINC000419043267 530953212 /nfs/dbraw/zinc/95/32/12/530953212.db2.gz NHOZMDKEXCLVTQ-CYBMUJFWSA-N 2 2 394.273 0.971 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)[nH+]c12 ZINC000419037934 530953582 /nfs/dbraw/zinc/95/35/82/530953582.db2.gz DUXDHPCFAIHQII-NSHDSACASA-N 2 2 380.246 0.581 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N[C@@H](C)C[NH3+])[nH+]c12 ZINC000419046316 530953634 /nfs/dbraw/zinc/95/36/34/530953634.db2.gz VKHVAUDRXHLPDI-JTQLQIEISA-N 2 2 382.262 0.527 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N3CC[C@H]([NH3+])C3)[nH+]c12 ZINC000419048056 530954212 /nfs/dbraw/zinc/95/42/12/530954212.db2.gz ZKVDEBZYXVWUEE-LBPRGKRZSA-N 2 2 394.273 0.624 20 0 GCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301062 530989160 /nfs/dbraw/zinc/98/91/60/530989160.db2.gz VXUPHTLLRAYMEP-SJORKVTESA-N 2 2 377.551 0.252 20 0 GCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301062 530989161 /nfs/dbraw/zinc/98/91/61/530989161.db2.gz VXUPHTLLRAYMEP-SJORKVTESA-N 2 2 377.551 0.252 20 0 GCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301062 530989165 /nfs/dbraw/zinc/98/91/65/530989165.db2.gz VXUPHTLLRAYMEP-SJORKVTESA-N 2 2 377.551 0.252 20 0 GCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301062 530989168 /nfs/dbraw/zinc/98/91/68/530989168.db2.gz VXUPHTLLRAYMEP-SJORKVTESA-N 2 2 377.551 0.252 20 0 GCADLP [NH3+][C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1Br ZINC000662527141 531021712 /nfs/dbraw/zinc/02/17/12/531021712.db2.gz RDDISBMXDOGTRZ-HNNXBMFYSA-N 2 2 399.289 0.014 20 0 GCADLP C[NH+](C)C1CC[NH+](CCNc2ncc(I)cn2)CC1 ZINC000545916307 531050608 /nfs/dbraw/zinc/05/06/08/531050608.db2.gz IVRUPDYBLXNRJG-UHFFFAOYSA-N 2 2 375.258 1.519 20 0 GCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C1CC1 ZINC000554932669 531166380 /nfs/dbraw/zinc/16/63/80/531166380.db2.gz MBDMTEZWUDUOMA-CQSZACIVSA-N 2 2 387.468 0.730 20 0 GCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C1CC1 ZINC000554932669 531166381 /nfs/dbraw/zinc/16/63/81/531166381.db2.gz MBDMTEZWUDUOMA-CQSZACIVSA-N 2 2 387.468 0.730 20 0 GCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685614238 531192152 /nfs/dbraw/zinc/19/21/52/531192152.db2.gz VPGCPLUXFIGVBV-UHFFFAOYSA-N 2 2 393.289 0.893 20 0 GCADLP COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000685605865 531192170 /nfs/dbraw/zinc/19/21/70/531192170.db2.gz OMCVDDRWEJVXMW-UHFFFAOYSA-N 2 2 377.551 0.471 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736853601 598973692 /nfs/dbraw/zinc/97/36/92/598973692.db2.gz YKOCQOUVFSVPDU-MRXNPFEDSA-N 2 2 384.488 0.834 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736853601 598973695 /nfs/dbraw/zinc/97/36/95/598973695.db2.gz YKOCQOUVFSVPDU-MRXNPFEDSA-N 2 2 384.488 0.834 20 0 GCADLP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736798123 599078149 /nfs/dbraw/zinc/07/81/49/599078149.db2.gz PWVZULFKJBORLB-UHFFFAOYSA-N 2 2 387.488 0.974 20 0 GCADLP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736798123 599078152 /nfs/dbraw/zinc/07/81/52/599078152.db2.gz PWVZULFKJBORLB-UHFFFAOYSA-N 2 2 387.488 0.974 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000737878491 598685644 /nfs/dbraw/zinc/68/56/44/598685644.db2.gz PZQVXOLOCPIJAI-UHFFFAOYSA-N 2 2 394.483 0.859 20 0 GCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822698807 606067445 /nfs/dbraw/zinc/06/74/45/606067445.db2.gz GDCVJGIXJVBKAU-UHFFFAOYSA-N 2 2 381.444 0.751 20 0 GCADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000819876696 606079120 /nfs/dbraw/zinc/07/91/20/606079120.db2.gz IUPCUFKWIAYYKW-OAHLLOKOSA-N 2 2 386.504 0.763 20 0 GCADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000819876696 606079126 /nfs/dbraw/zinc/07/91/26/606079126.db2.gz IUPCUFKWIAYYKW-OAHLLOKOSA-N 2 2 386.504 0.763 20 0 GCADLP C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000819876695 606080147 /nfs/dbraw/zinc/08/01/47/606080147.db2.gz IUPCUFKWIAYYKW-HNNXBMFYSA-N 2 2 386.504 0.763 20 0 GCADLP C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000819876695 606080150 /nfs/dbraw/zinc/08/01/50/606080150.db2.gz IUPCUFKWIAYYKW-HNNXBMFYSA-N 2 2 386.504 0.763 20 0 GCADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000821266456 606628830 /nfs/dbraw/zinc/62/88/30/606628830.db2.gz DFYSPSVVANHVSX-UHFFFAOYSA-N 2 2 398.515 0.148 20 0 GCADLP CNc1cc(N2CCC[C@H]2C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)nc[nH+]1 ZINC000821637711 606859413 /nfs/dbraw/zinc/85/94/13/606859413.db2.gz QMGYWBMWSCBQTD-HOTGVXAUSA-N 2 2 395.471 0.990 20 0 GCADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)nc[nH+]1 ZINC000821637712 606859463 /nfs/dbraw/zinc/85/94/63/606859463.db2.gz QMGYWBMWSCBQTD-HZPDHXFCSA-N 2 2 395.471 0.990 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000821623712 607074405 /nfs/dbraw/zinc/07/44/05/607074405.db2.gz QVXJKQSVUSEZGB-QGZVFWFLSA-N 2 2 394.483 0.858 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000821623712 607074407 /nfs/dbraw/zinc/07/44/07/607074407.db2.gz QVXJKQSVUSEZGB-QGZVFWFLSA-N 2 2 394.483 0.858 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821624100 607074457 /nfs/dbraw/zinc/07/44/57/607074457.db2.gz YYGSUITXIPYIDY-SFHVURJKSA-N 2 2 399.499 0.874 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821624100 607074459 /nfs/dbraw/zinc/07/44/59/607074459.db2.gz YYGSUITXIPYIDY-SFHVURJKSA-N 2 2 399.499 0.874 20 0 GCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825934678 608035779 /nfs/dbraw/zinc/03/57/79/608035779.db2.gz PRVXEIDPJMEEHM-OAHLLOKOSA-N 2 2 399.503 0.529 20 0 GCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825934678 608035780 /nfs/dbraw/zinc/03/57/80/608035780.db2.gz PRVXEIDPJMEEHM-OAHLLOKOSA-N 2 2 399.503 0.529 20 0 GCADLP C[NH+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000825934678 608035781 /nfs/dbraw/zinc/03/57/81/608035781.db2.gz PRVXEIDPJMEEHM-OAHLLOKOSA-N 2 2 399.503 0.529 20 0 GCADLP C[NH+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000825934678 608035782 /nfs/dbraw/zinc/03/57/82/608035782.db2.gz PRVXEIDPJMEEHM-OAHLLOKOSA-N 2 2 399.503 0.529 20 0 GCADLP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1-c1nn[nH]n1 ZINC000826077743 608113916 /nfs/dbraw/zinc/11/39/16/608113916.db2.gz STCQWTMYUYACJU-SNVBAGLBSA-N 2 2 379.494 0.118 20 0 GCADLP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1-c1nn[nH]n1 ZINC000826077743 608113917 /nfs/dbraw/zinc/11/39/17/608113917.db2.gz STCQWTMYUYACJU-SNVBAGLBSA-N 2 2 379.494 0.118 20 0 GCADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563716 608462061 /nfs/dbraw/zinc/46/20/61/608462061.db2.gz PQJRTSGOUAXLSU-AWEZNQCLSA-N 2 2 387.488 0.744 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826022854 609216799 /nfs/dbraw/zinc/21/67/99/609216799.db2.gz UEBCUWOROPCIHZ-SFHVURJKSA-N 2 2 399.499 0.575 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826022395 609230308 /nfs/dbraw/zinc/23/03/08/609230308.db2.gz LQGQCAUFLUKTBO-KRWDZBQOSA-N 2 2 387.488 0.385 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826022395 609230310 /nfs/dbraw/zinc/23/03/10/609230310.db2.gz LQGQCAUFLUKTBO-KRWDZBQOSA-N 2 2 387.488 0.385 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000826182112 609493047 /nfs/dbraw/zinc/49/30/47/609493047.db2.gz AGBVCVGBJJREBJ-UHFFFAOYSA-N 2 2 388.472 0.534 20 0 GCADLP CN(C(=O)[C@H]1CC1(Cl)Cl)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980240 639204949 /nfs/dbraw/zinc/20/49/49/639204949.db2.gz PFQJUHLSGGHYEG-CQSZACIVSA-N 2 2 391.343 0.877 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000839674358 640510577 /nfs/dbraw/zinc/51/05/77/640510577.db2.gz MTDQPVJBNKWPBB-TVFCKZIOSA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000839674358 640510580 /nfs/dbraw/zinc/51/05/80/640510580.db2.gz MTDQPVJBNKWPBB-TVFCKZIOSA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[N@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@H](CO)[C@H]1C ZINC000839674358 640510584 /nfs/dbraw/zinc/51/05/84/640510584.db2.gz MTDQPVJBNKWPBB-TVFCKZIOSA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[N@@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@H](CO)[C@H]1C ZINC000839674358 640510588 /nfs/dbraw/zinc/51/05/88/640510588.db2.gz MTDQPVJBNKWPBB-TVFCKZIOSA-N 2 2 376.563 0.587 20 0 GCADLP C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)(C)C[NH+](C)C ZINC000119455674 641237829 /nfs/dbraw/zinc/23/78/29/641237829.db2.gz JFEVXNJGHLCSRC-AWEZNQCLSA-N 2 2 376.567 0.771 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3ccc(Br)cc3=O)C2)CC1 ZINC000865749266 641286703 /nfs/dbraw/zinc/28/67/03/641286703.db2.gz BMTXJZOXCGZKCX-AWEZNQCLSA-N 2 2 397.317 0.896 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3ccc(Br)cc3=O)C2)CC1 ZINC000865749266 641286710 /nfs/dbraw/zinc/28/67/10/641286710.db2.gz BMTXJZOXCGZKCX-AWEZNQCLSA-N 2 2 397.317 0.896 20 0 GCADLP C[NH+](C)Cc1csc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000929464085 641959549 /nfs/dbraw/zinc/95/95/49/641959549.db2.gz KFPNFEQYEJZKQO-INIZCTEOSA-N 2 2 385.559 0.374 20 0 GCADLP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1c[nH]nc1Cl ZINC000830314297 642136520 /nfs/dbraw/zinc/13/65/20/642136520.db2.gz SKDVNIHTJXCLOW-UHFFFAOYSA-N 2 2 384.893 0.949 20 0 GCADLP CC(C)O[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000652409346 1192216255 /nfs/dbraw/zinc/21/62/55/1192216255.db2.gz OTBDDPMWDVPBQB-GOSISDBHSA-N 2 2 382.549 0.887 20 0 GCADLP CC(C)O[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000652409346 1192216259 /nfs/dbraw/zinc/21/62/59/1192216259.db2.gz OTBDDPMWDVPBQB-GOSISDBHSA-N 2 2 382.549 0.887 20 0 GCADLP C[C@H](CO)C1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000652433139 1192221451 /nfs/dbraw/zinc/22/14/51/1192221451.db2.gz TZWWPTSKCMRNAD-APWZRJJASA-N 2 2 394.560 0.480 20 0 GCADLP C[C@H](CO)C1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000652433139 1192221454 /nfs/dbraw/zinc/22/14/54/1192221454.db2.gz TZWWPTSKCMRNAD-APWZRJJASA-N 2 2 394.560 0.480 20 0 GCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C)C[C@@H]3Cc3ccccc3)C2)C1 ZINC000652527851 1192235918 /nfs/dbraw/zinc/23/59/18/1192235918.db2.gz BVRKJVODGDTCPO-SIKLNZKXSA-N 2 2 384.524 0.926 20 0 GCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C)C[C@@H]3Cc3ccccc3)C2)C1 ZINC000652527851 1192235919 /nfs/dbraw/zinc/23/59/19/1192235919.db2.gz BVRKJVODGDTCPO-SIKLNZKXSA-N 2 2 384.524 0.926 20 0 GCADLP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[N@H+](C)C[C@@H]3Cc3ccccc3)C2)C1 ZINC000652527851 1192235924 /nfs/dbraw/zinc/23/59/24/1192235924.db2.gz BVRKJVODGDTCPO-SIKLNZKXSA-N 2 2 384.524 0.926 20 0 GCADLP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3Cc3ccccc3)C2)C1 ZINC000652527851 1192235926 /nfs/dbraw/zinc/23/59/26/1192235926.db2.gz BVRKJVODGDTCPO-SIKLNZKXSA-N 2 2 384.524 0.926 20 0 GCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663221852 1192254506 /nfs/dbraw/zinc/25/45/06/1192254506.db2.gz SEGAQSLPPGBBSP-JKSUJKDBSA-N 2 2 386.504 0.994 20 0 GCADLP CNS(=O)(=O)c1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000662277243 1192276016 /nfs/dbraw/zinc/27/60/16/1192276016.db2.gz NTYSFEBRQUAEIT-UHFFFAOYSA-N 2 2 390.513 0.669 20 0 GCADLP COc1ccnc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1OC ZINC000662281816 1192276379 /nfs/dbraw/zinc/27/63/79/1192276379.db2.gz PLCAAPXRNSXNQL-GOEBONIOSA-N 2 2 375.473 0.819 20 0 GCADLP COc1ccnc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1OC ZINC000662281816 1192276381 /nfs/dbraw/zinc/27/63/81/1192276381.db2.gz PLCAAPXRNSXNQL-GOEBONIOSA-N 2 2 375.473 0.819 20 0 GCADLP Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287009 1192276865 /nfs/dbraw/zinc/27/68/65/1192276865.db2.gz POCMUYHVGGXGDC-UHFFFAOYSA-N 2 2 385.512 0.869 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000662286112 1192277192 /nfs/dbraw/zinc/27/71/92/1192277192.db2.gz WRAVMHMMVLWMNB-MRXNPFEDSA-N 2 2 375.469 0.825 20 0 GCADLP C[C@@H]1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H](C[NH3+])C1 ZINC000662316011 1192282866 /nfs/dbraw/zinc/28/28/66/1192282866.db2.gz UPESFCIWWYFQLU-CABCVRRESA-N 2 2 386.504 0.071 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662376800 1192287458 /nfs/dbraw/zinc/28/74/58/1192287458.db2.gz RFKLZBNIXZLPKH-OAHLLOKOSA-N 2 2 376.505 0.503 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662376800 1192287460 /nfs/dbraw/zinc/28/74/60/1192287460.db2.gz RFKLZBNIXZLPKH-OAHLLOKOSA-N 2 2 376.505 0.503 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662376799 1192287166 /nfs/dbraw/zinc/28/71/66/1192287166.db2.gz RFKLZBNIXZLPKH-HNNXBMFYSA-N 2 2 376.505 0.503 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662376799 1192287171 /nfs/dbraw/zinc/28/71/71/1192287171.db2.gz RFKLZBNIXZLPKH-HNNXBMFYSA-N 2 2 376.505 0.503 20 0 GCADLP C[NH+]1CCN(Cc2ccc(CNC(=O)NCC[N@@H+]3CCCOCC3)cc2)CC1 ZINC000186876772 1192292899 /nfs/dbraw/zinc/29/28/99/1192292899.db2.gz NFZHZARZBQXUHO-UHFFFAOYSA-N 2 2 389.544 0.956 20 0 GCADLP C[NH+]1CCN(Cc2ccc(CNC(=O)NCC[N@H+]3CCCOCC3)cc2)CC1 ZINC000186876772 1192292904 /nfs/dbraw/zinc/29/29/04/1192292904.db2.gz NFZHZARZBQXUHO-UHFFFAOYSA-N 2 2 389.544 0.956 20 0 GCADLP CN1CC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+]3CCCOCC3)cc2)CC1 ZINC000186876772 1192292908 /nfs/dbraw/zinc/29/29/08/1192292908.db2.gz NFZHZARZBQXUHO-UHFFFAOYSA-N 2 2 389.544 0.956 20 0 GCADLP CN1CC[NH+](Cc2ccc(CNC(=O)NCC[N@H+]3CCCOCC3)cc2)CC1 ZINC000186876772 1192292910 /nfs/dbraw/zinc/29/29/10/1192292910.db2.gz NFZHZARZBQXUHO-UHFFFAOYSA-N 2 2 389.544 0.956 20 0 GCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000410561152 1192311376 /nfs/dbraw/zinc/31/13/76/1192311376.db2.gz HGLGIWSOFHSOKD-QGZVFWFLSA-N 2 2 380.533 0.500 20 0 GCADLP C[NH+]1CCN(CCCCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069923997 1192319976 /nfs/dbraw/zinc/31/99/76/1192319976.db2.gz UGBUUXYNDRVUKG-LJQANCHMSA-N 2 2 381.565 0.768 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662669862 1192325409 /nfs/dbraw/zinc/32/54/09/1192325409.db2.gz AITXGUCUISAIAX-UHFFFAOYSA-N 2 2 377.452 0.971 20 0 GCADLP O=C(CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662703819 1192330377 /nfs/dbraw/zinc/33/03/77/1192330377.db2.gz OCUWHHWWKRYJAC-KRWDZBQOSA-N 2 2 399.417 0.779 20 0 GCADLP CN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262208 1192332811 /nfs/dbraw/zinc/33/28/11/1192332811.db2.gz YTAGSXZLEUGKSY-MLHJIOFPSA-N 2 2 380.533 0.815 20 0 GCADLP CN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262208 1192332816 /nfs/dbraw/zinc/33/28/16/1192332816.db2.gz YTAGSXZLEUGKSY-MLHJIOFPSA-N 2 2 380.533 0.815 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112532031 1192360630 /nfs/dbraw/zinc/36/06/30/1192360630.db2.gz DIMQACFZJNPXLW-XLSPSMHOSA-N 2 2 376.501 0.751 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000637096814 1192388777 /nfs/dbraw/zinc/38/87/77/1192388777.db2.gz ZRVDBELTAZZFMZ-HXUWFJFHSA-N 2 2 380.533 0.776 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000637096814 1192388781 /nfs/dbraw/zinc/38/87/81/1192388781.db2.gz ZRVDBELTAZZFMZ-HXUWFJFHSA-N 2 2 380.533 0.776 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663612438 1192415877 /nfs/dbraw/zinc/41/58/77/1192415877.db2.gz SIIVXGNAFWCDSK-FQEVSTJZSA-N 2 2 387.484 0.157 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)O1 ZINC000981640921 1192457233 /nfs/dbraw/zinc/45/72/33/1192457233.db2.gz FZXMHNUNIYZQBH-JYYAWHABSA-N 2 2 377.489 0.083 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)O1 ZINC000981640921 1192457235 /nfs/dbraw/zinc/45/72/35/1192457235.db2.gz FZXMHNUNIYZQBH-JYYAWHABSA-N 2 2 377.489 0.083 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)CC1 ZINC000050800424 1192501655 /nfs/dbraw/zinc/50/16/55/1192501655.db2.gz SPEAYZUELUMDRN-HXUWFJFHSA-N 2 2 391.516 0.382 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C)c1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000408364406 1192512089 /nfs/dbraw/zinc/51/20/89/1192512089.db2.gz BUCNCJJUYHGKHL-IRXDYDNUSA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[N@H+](C)C[C@@H]2C)c1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000408364406 1192512092 /nfs/dbraw/zinc/51/20/92/1192512092.db2.gz BUCNCJJUYHGKHL-IRXDYDNUSA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C)C[C@@H]2C)c1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000408364406 1192512095 /nfs/dbraw/zinc/51/20/95/1192512095.db2.gz BUCNCJJUYHGKHL-IRXDYDNUSA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C)C[C@@H]2C)c1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000408364406 1192512096 /nfs/dbraw/zinc/51/20/96/1192512096.db2.gz BUCNCJJUYHGKHL-IRXDYDNUSA-N 2 2 389.544 0.815 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663722761 1192515410 /nfs/dbraw/zinc/51/54/10/1192515410.db2.gz LNSGADZGJRAGPJ-MRXNPFEDSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663722761 1192515412 /nfs/dbraw/zinc/51/54/12/1192515412.db2.gz LNSGADZGJRAGPJ-MRXNPFEDSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663722761 1192515417 /nfs/dbraw/zinc/51/54/17/1192515417.db2.gz LNSGADZGJRAGPJ-MRXNPFEDSA-N 2 2 388.516 0.571 20 0 GCADLP c1nc(N2CC[NH+]([C@H]3CCOC3)CC2)cnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663729519 1192516156 /nfs/dbraw/zinc/51/61/56/1192516156.db2.gz QXMGMIMYSQWBFM-ROUUACIJSA-N 2 2 388.516 0.298 20 0 GCADLP O=C(NCC[N@@H+]1CCCOCC1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000187167493 1192518549 /nfs/dbraw/zinc/51/85/49/1192518549.db2.gz MCBZQQPMZCFOAL-HXUWFJFHSA-N 2 2 390.528 0.951 20 0 GCADLP O=C(NCC[N@H+]1CCCOCC1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000187167493 1192518554 /nfs/dbraw/zinc/51/85/54/1192518554.db2.gz MCBZQQPMZCFOAL-HXUWFJFHSA-N 2 2 390.528 0.951 20 0 GCADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000418660404 1192624919 /nfs/dbraw/zinc/62/49/19/1192624919.db2.gz YPKGXDYPUKXJCG-WBVHZDCISA-N 2 2 377.489 0.076 20 0 GCADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000418660404 1192624921 /nfs/dbraw/zinc/62/49/21/1192624921.db2.gz YPKGXDYPUKXJCG-WBVHZDCISA-N 2 2 377.489 0.076 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000418833828 1192660196 /nfs/dbraw/zinc/66/01/96/1192660196.db2.gz NVWNGUMASLYZNP-SFHVURJKSA-N 2 2 388.512 0.781 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000418833828 1192660198 /nfs/dbraw/zinc/66/01/98/1192660198.db2.gz NVWNGUMASLYZNP-SFHVURJKSA-N 2 2 388.512 0.781 20 0 GCADLP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000418835146 1192660541 /nfs/dbraw/zinc/66/05/41/1192660541.db2.gz PNFMHRSUSBZYHH-RXVVDRJESA-N 2 2 388.512 0.510 20 0 GCADLP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000418835146 1192660543 /nfs/dbraw/zinc/66/05/43/1192660543.db2.gz PNFMHRSUSBZYHH-RXVVDRJESA-N 2 2 388.512 0.510 20 0 GCADLP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418834553 1192660620 /nfs/dbraw/zinc/66/06/20/1192660620.db2.gz OPBLAFGJWZXDAJ-QGZVFWFLSA-N 2 2 376.501 0.637 20 0 GCADLP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418834553 1192660623 /nfs/dbraw/zinc/66/06/23/1192660623.db2.gz OPBLAFGJWZXDAJ-QGZVFWFLSA-N 2 2 376.501 0.637 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418838355 1192661294 /nfs/dbraw/zinc/66/12/94/1192661294.db2.gz VAFPBZWGCZQPOR-WIYYLYMNSA-N 2 2 386.496 0.216 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418838355 1192661298 /nfs/dbraw/zinc/66/12/98/1192661298.db2.gz VAFPBZWGCZQPOR-WIYYLYMNSA-N 2 2 386.496 0.216 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418838353 1192661508 /nfs/dbraw/zinc/66/15/08/1192661508.db2.gz VAFPBZWGCZQPOR-NQIIRXRSSA-N 2 2 386.496 0.216 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418838353 1192661511 /nfs/dbraw/zinc/66/15/11/1192661511.db2.gz VAFPBZWGCZQPOR-NQIIRXRSSA-N 2 2 386.496 0.216 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418842127 1192663061 /nfs/dbraw/zinc/66/30/61/1192663061.db2.gz ZSUHNFLDFNIRLV-QXAKKESOSA-N 2 2 388.512 0.732 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418842127 1192663062 /nfs/dbraw/zinc/66/30/62/1192663062.db2.gz ZSUHNFLDFNIRLV-QXAKKESOSA-N 2 2 388.512 0.732 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418841908 1192663097 /nfs/dbraw/zinc/66/30/97/1192663097.db2.gz ZGKDIJCHEOSSJZ-HZPDHXFCSA-N 2 2 396.532 0.367 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418841910 1192663377 /nfs/dbraw/zinc/66/33/77/1192663377.db2.gz ZGKDIJCHEOSSJZ-JKSUJKDBSA-N 2 2 396.532 0.367 20 0 GCADLP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)oc1C ZINC000418859590 1192670821 /nfs/dbraw/zinc/67/08/21/1192670821.db2.gz YENDOZSWWMYIBE-ZIAGYGMSSA-N 2 2 391.516 0.828 20 0 GCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418903557 1192685112 /nfs/dbraw/zinc/68/51/12/1192685112.db2.gz BNUPXHOJPBNGLC-SJLPKXTDSA-N 2 2 388.512 0.721 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418908298 1192686519 /nfs/dbraw/zinc/68/65/19/1192686519.db2.gz HNQQMNJSTLCHMO-SFHVURJKSA-N 2 2 376.501 0.625 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CCCC1 ZINC000418915685 1192688037 /nfs/dbraw/zinc/68/80/37/1192688037.db2.gz QKYVIWYHTDVYRW-IBGZPJMESA-N 2 2 388.512 0.769 20 0 GCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418917228 1192688191 /nfs/dbraw/zinc/68/81/91/1192688191.db2.gz SVUNQHMBIXAMGL-RBUKOAKNSA-N 2 2 386.496 0.203 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418916262 1192688337 /nfs/dbraw/zinc/68/83/37/1192688337.db2.gz RFOVIXCDZYFOTL-LJQANCHMSA-N 2 2 388.512 0.736 20 0 GCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418918033 1192689443 /nfs/dbraw/zinc/68/94/43/1192689443.db2.gz VALBITBGERQZTO-APWZRJJASA-N 2 2 388.512 0.769 20 0 GCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418919501 1192691755 /nfs/dbraw/zinc/69/17/55/1192691755.db2.gz XHHSEENKWCUMIO-IBGZPJMESA-N 2 2 390.528 0.967 20 0 GCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418919566 1192691941 /nfs/dbraw/zinc/69/19/41/1192691941.db2.gz XQAJQWNHGIUCAX-UHFFFAOYSA-N 2 2 376.501 0.578 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418936386 1192695156 /nfs/dbraw/zinc/69/51/56/1192695156.db2.gz DSRAROJYGNBREO-JSGCOSHPSA-N 2 2 380.514 0.452 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418936386 1192695160 /nfs/dbraw/zinc/69/51/60/1192695160.db2.gz DSRAROJYGNBREO-JSGCOSHPSA-N 2 2 380.514 0.452 20 0 GCADLP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000418988160 1192710374 /nfs/dbraw/zinc/71/03/74/1192710374.db2.gz IBFJMKRFKJTNRU-RHSMWYFYSA-N 2 2 391.422 0.619 20 0 GCADLP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000418988161 1192710566 /nfs/dbraw/zinc/71/05/66/1192710566.db2.gz IBFJMKRFKJTNRU-WMLDXEAASA-N 2 2 391.422 0.619 20 0 GCADLP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000418988162 1192710681 /nfs/dbraw/zinc/71/06/81/1192710681.db2.gz IBFJMKRFKJTNRU-YOEHRIQHSA-N 2 2 391.422 0.619 20 0 GCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC[N@@H+]1CCOC ZINC000410568704 1192718403 /nfs/dbraw/zinc/71/84/03/1192718403.db2.gz CFYZWBPBABZKBD-GOSISDBHSA-N 2 2 380.533 0.642 20 0 GCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC[N@H+]1CCOC ZINC000410568704 1192718404 /nfs/dbraw/zinc/71/84/04/1192718404.db2.gz CFYZWBPBABZKBD-GOSISDBHSA-N 2 2 380.533 0.642 20 0 GCADLP CO[C@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C[NH3+])C1 ZINC000419029763 1192729912 /nfs/dbraw/zinc/72/99/12/1192729912.db2.gz SBQOHYXUOUUHEX-CABCVRRESA-N 2 2 389.431 0.592 20 0 GCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419062815 1192759035 /nfs/dbraw/zinc/75/90/35/1192759035.db2.gz HDXQPTWAWOHTMK-HLLBOEOZSA-N 2 2 376.501 0.807 20 0 GCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410630946 1192773565 /nfs/dbraw/zinc/77/35/65/1192773565.db2.gz KDQIFYOCMDGPSW-FGTMMUONSA-N 2 2 382.549 0.744 20 0 GCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410630946 1192773568 /nfs/dbraw/zinc/77/35/68/1192773568.db2.gz KDQIFYOCMDGPSW-FGTMMUONSA-N 2 2 382.549 0.744 20 0 GCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410630946 1192773572 /nfs/dbraw/zinc/77/35/72/1192773572.db2.gz KDQIFYOCMDGPSW-FGTMMUONSA-N 2 2 382.549 0.744 20 0 GCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410630946 1192773577 /nfs/dbraw/zinc/77/35/77/1192773577.db2.gz KDQIFYOCMDGPSW-FGTMMUONSA-N 2 2 382.549 0.744 20 0 GCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410630947 1192773811 /nfs/dbraw/zinc/77/38/11/1192773811.db2.gz KDQIFYOCMDGPSW-KSZLIROESA-N 2 2 382.549 0.744 20 0 GCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410630947 1192773817 /nfs/dbraw/zinc/77/38/17/1192773817.db2.gz KDQIFYOCMDGPSW-KSZLIROESA-N 2 2 382.549 0.744 20 0 GCADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410630947 1192773820 /nfs/dbraw/zinc/77/38/20/1192773820.db2.gz KDQIFYOCMDGPSW-KSZLIROESA-N 2 2 382.549 0.744 20 0 GCADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410630947 1192773824 /nfs/dbraw/zinc/77/38/24/1192773824.db2.gz KDQIFYOCMDGPSW-KSZLIROESA-N 2 2 382.549 0.744 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419086995 1192783691 /nfs/dbraw/zinc/78/36/91/1192783691.db2.gz PBCVYGUYVLFCOL-KBXIAJHMSA-N 2 2 384.521 0.220 20 0 GCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419099359 1192785063 /nfs/dbraw/zinc/78/50/63/1192785063.db2.gz DLRPFYKRKQASDW-MRXNPFEDSA-N 2 2 393.919 0.446 20 0 GCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419109102 1192790480 /nfs/dbraw/zinc/79/04/80/1192790480.db2.gz QRWYEXIEJDECBI-INIZCTEOSA-N 2 2 393.919 0.446 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000419120602 1192793553 /nfs/dbraw/zinc/79/35/53/1192793553.db2.gz CNFBBDBXKIXZAM-ROUUACIJSA-N 2 2 375.517 0.191 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000419124499 1192795888 /nfs/dbraw/zinc/79/58/88/1192795888.db2.gz XKAVLUKVFVLDQG-ZWKOTPCHSA-N 2 2 376.501 0.666 20 0 GCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419131820 1192806464 /nfs/dbraw/zinc/80/64/64/1192806464.db2.gz GXQMGORYEFOVEW-MRXNPFEDSA-N 2 2 390.532 0.342 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000419131753 1192807260 /nfs/dbraw/zinc/80/72/60/1192807260.db2.gz DFSVMDLUFJTAPW-SFHVURJKSA-N 3 2 399.539 0.449 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000419131753 1192807269 /nfs/dbraw/zinc/80/72/69/1192807269.db2.gz DFSVMDLUFJTAPW-SFHVURJKSA-N 3 2 399.539 0.449 20 0 GCADLP CN(C)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670854509 1192893884 /nfs/dbraw/zinc/89/38/84/1192893884.db2.gz XXYRZDLVZBLDNU-KRWDZBQOSA-N 2 2 387.528 0.654 20 0 GCADLP CN(C)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670854509 1192893888 /nfs/dbraw/zinc/89/38/88/1192893888.db2.gz XXYRZDLVZBLDNU-KRWDZBQOSA-N 2 2 387.528 0.654 20 0 GCADLP Cc1nnc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)s1 ZINC000894018201 1192891573 /nfs/dbraw/zinc/89/15/73/1192891573.db2.gz OJMLYLZQOIVVML-CQSZACIVSA-N 2 2 389.529 0.783 20 0 GCADLP COCCOC[C@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894017491 1192891734 /nfs/dbraw/zinc/89/17/34/1192891734.db2.gz IISXSALXDLJWDC-IRXDYDNUSA-N 2 2 393.532 0.474 20 0 GCADLP CCS(=O)(=O)NCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761070 1192907182 /nfs/dbraw/zinc/90/71/82/1192907182.db2.gz ZQGHZIKGHZYBGH-UHFFFAOYSA-N 2 2 389.566 0.174 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)[C@@H](C)C1 ZINC000410937181 1192917170 /nfs/dbraw/zinc/91/71/70/1192917170.db2.gz JWACOUJNFQBLJG-OXJNMPFZSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)[C@@H](C)C1 ZINC000410937181 1192917172 /nfs/dbraw/zinc/91/71/72/1192917172.db2.gz JWACOUJNFQBLJG-OXJNMPFZSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)[C@@H](C)C1 ZINC000410937181 1192917173 /nfs/dbraw/zinc/91/71/73/1192917173.db2.gz JWACOUJNFQBLJG-OXJNMPFZSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)[C@@H](C)C1 ZINC000410937181 1192917175 /nfs/dbraw/zinc/91/71/75/1192917175.db2.gz JWACOUJNFQBLJG-OXJNMPFZSA-N 2 2 394.516 0.027 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000579713010 1184104067 /nfs/dbraw/zinc/10/40/67/1184104067.db2.gz TXCHAGJTCXOZGQ-ZBFHGGJFSA-N 2 2 398.504 0.328 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000579713010 1184104074 /nfs/dbraw/zinc/10/40/74/1184104074.db2.gz TXCHAGJTCXOZGQ-ZBFHGGJFSA-N 2 2 398.504 0.328 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000654775791 1184136442 /nfs/dbraw/zinc/13/64/42/1184136442.db2.gz VWPIIQSPTHJTOP-INIZCTEOSA-N 2 2 386.562 0.333 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000654775791 1184136445 /nfs/dbraw/zinc/13/64/45/1184136445.db2.gz VWPIIQSPTHJTOP-INIZCTEOSA-N 2 2 386.562 0.333 20 0 GCADLP CC[N@H+](CCO)CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000274689423 1184187575 /nfs/dbraw/zinc/18/75/75/1184187575.db2.gz UMYKNSAFXRSTDB-IBGZPJMESA-N 2 2 378.517 0.543 20 0 GCADLP CC[N@@H+](CCO)CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000274689423 1184187579 /nfs/dbraw/zinc/18/75/79/1184187579.db2.gz UMYKNSAFXRSTDB-IBGZPJMESA-N 2 2 378.517 0.543 20 0 GCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[N@H+]1CCO ZINC000655057227 1184271893 /nfs/dbraw/zinc/27/18/93/1184271893.db2.gz LRZRAQHJCKPOLW-KDURUIRLSA-N 2 2 389.544 0.905 20 0 GCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000655057227 1184271900 /nfs/dbraw/zinc/27/19/00/1184271900.db2.gz LRZRAQHJCKPOLW-KDURUIRLSA-N 2 2 389.544 0.905 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000655274164 1184346889 /nfs/dbraw/zinc/34/68/89/1184346889.db2.gz YINRBZNTZRYWKF-KRWDZBQOSA-N 2 2 380.533 0.500 20 0 GCADLP COc1ccccc1C(=O)NCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000154919202 1184500964 /nfs/dbraw/zinc/50/09/64/1184500964.db2.gz FPKUIJHGWJCGHE-UHFFFAOYSA-N 2 2 376.501 0.909 20 0 GCADLP COc1ccccc1C(=O)NCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000154919202 1184500970 /nfs/dbraw/zinc/50/09/70/1184500970.db2.gz FPKUIJHGWJCGHE-UHFFFAOYSA-N 2 2 376.501 0.909 20 0 GCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448510349 1184521167 /nfs/dbraw/zinc/52/11/67/1184521167.db2.gz OMIKXBPTOWYBCQ-OAHLLOKOSA-N 2 2 380.493 0.000 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419134706 1184528403 /nfs/dbraw/zinc/52/84/03/1184528403.db2.gz KURJYGGXXWMDQG-BRWVUGGUSA-N 2 2 388.516 0.094 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237816382 1184734320 /nfs/dbraw/zinc/73/43/20/1184734320.db2.gz JVRFLIVAKKCKHI-KRWDZBQOSA-N 2 2 377.452 0.726 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCOCC1 ZINC000579984756 1184888769 /nfs/dbraw/zinc/88/87/69/1184888769.db2.gz ORLIIKAWDQQBNG-LJQANCHMSA-N 2 2 394.560 0.936 20 0 GCADLP CN(C(=O)NCCN1CCNC1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000891077091 1184910648 /nfs/dbraw/zinc/91/06/48/1184910648.db2.gz LFIUSAARTIODAR-QZTJIDSGSA-N 2 2 394.564 0.990 20 0 GCADLP CN(C(=O)NCCN1CCNC1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000891077091 1184910650 /nfs/dbraw/zinc/91/06/50/1184910650.db2.gz LFIUSAARTIODAR-QZTJIDSGSA-N 2 2 394.564 0.990 20 0 GCADLP C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000642760228 1184922910 /nfs/dbraw/zinc/92/29/10/1184922910.db2.gz ITTYUHGRUILINJ-UHFFFAOYSA-N 2 2 389.500 0.469 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656062587 1184996170 /nfs/dbraw/zinc/99/61/70/1184996170.db2.gz OCQRGRCEDHWIFQ-YESZJQIVSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656062587 1184996174 /nfs/dbraw/zinc/99/61/74/1184996174.db2.gz OCQRGRCEDHWIFQ-YESZJQIVSA-N 2 2 380.533 0.687 20 0 GCADLP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000580122494 1185072178 /nfs/dbraw/zinc/07/21/78/1185072178.db2.gz BTSUHIDUXUOIEI-OXQOHEQNSA-N 2 2 382.549 0.791 20 0 GCADLP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000580122494 1185072184 /nfs/dbraw/zinc/07/21/84/1185072184.db2.gz BTSUHIDUXUOIEI-OXQOHEQNSA-N 2 2 382.549 0.791 20 0 GCADLP CO[C@@]1(C)C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000580122495 1185072605 /nfs/dbraw/zinc/07/26/05/1185072605.db2.gz BTSUHIDUXUOIEI-UZLBHIALSA-N 2 2 382.549 0.791 20 0 GCADLP CO[C@@]1(C)C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000580122495 1185072609 /nfs/dbraw/zinc/07/26/09/1185072609.db2.gz BTSUHIDUXUOIEI-UZLBHIALSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000580222762 1185122440 /nfs/dbraw/zinc/12/24/40/1185122440.db2.gz ZTSXQHLNTYFLIC-INIZCTEOSA-N 2 2 392.500 0.448 20 0 GCADLP CC[NH+](CC)Cc1nc(C2(NC(=O)c3cn(CC[NH3+])nn3)CCCC2)no1 ZINC000580347934 1185184633 /nfs/dbraw/zinc/18/46/33/1185184633.db2.gz RFACVHUQDHJKGP-UHFFFAOYSA-N 2 2 376.465 0.661 20 0 GCADLP CC1CC[NH+](CCNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000046369024 1185285052 /nfs/dbraw/zinc/28/50/52/1185285052.db2.gz INSVKHOJCZUHHP-UHFFFAOYSA-N 2 2 386.504 0.927 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000580634331 1185293042 /nfs/dbraw/zinc/29/30/42/1185293042.db2.gz LOLXZHUTPCHFOE-RCCFBDPRSA-N 2 2 392.544 0.545 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000580634331 1185293045 /nfs/dbraw/zinc/29/30/45/1185293045.db2.gz LOLXZHUTPCHFOE-RCCFBDPRSA-N 2 2 392.544 0.545 20 0 GCADLP COc1ccc2c(c1)CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000656314681 1185398353 /nfs/dbraw/zinc/39/83/53/1185398353.db2.gz BDJLGZZGYHLGFD-QGZVFWFLSA-N 2 2 386.496 0.822 20 0 GCADLP COc1ccc2c(c1)CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000656314681 1185398361 /nfs/dbraw/zinc/39/83/61/1185398361.db2.gz BDJLGZZGYHLGFD-QGZVFWFLSA-N 2 2 386.496 0.822 20 0 GCADLP Cc1cnc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000656315317 1185402396 /nfs/dbraw/zinc/40/23/96/1185402396.db2.gz JTWJTFZMIHLOKC-QGZVFWFLSA-N 2 2 387.528 0.642 20 0 GCADLP Cc1cnc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000656315317 1185402399 /nfs/dbraw/zinc/40/23/99/1185402399.db2.gz JTWJTFZMIHLOKC-QGZVFWFLSA-N 2 2 387.528 0.642 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000656316414 1185404711 /nfs/dbraw/zinc/40/47/11/1185404711.db2.gz RNKCDXHTVSOWFW-WJFTUGDTSA-N 2 2 392.544 0.879 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656353321 1185447084 /nfs/dbraw/zinc/44/70/84/1185447084.db2.gz AFDIUXFAIGMSKO-ZWKOTPCHSA-N 2 2 380.533 0.689 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656353321 1185447092 /nfs/dbraw/zinc/44/70/92/1185447092.db2.gz AFDIUXFAIGMSKO-ZWKOTPCHSA-N 2 2 380.533 0.689 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000581000821 1185469024 /nfs/dbraw/zinc/46/90/24/1185469024.db2.gz SMLVMZLFTBRYQC-FQEVSTJZSA-N 2 2 388.560 0.608 20 0 GCADLP C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000656367260 1185478118 /nfs/dbraw/zinc/47/81/18/1185478118.db2.gz MPYYSUKSDAHBHZ-VQIMIIECSA-N 2 2 386.500 0.881 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000656367260 1185478123 /nfs/dbraw/zinc/47/81/23/1185478123.db2.gz MPYYSUKSDAHBHZ-VQIMIIECSA-N 2 2 386.500 0.881 20 0 GCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000656366479 1185478842 /nfs/dbraw/zinc/47/88/42/1185478842.db2.gz JKKDYGKMKDXUAQ-MSOLQXFVSA-N 2 2 396.532 0.108 20 0 GCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC4(C[C@@H]3C)CC[NH2+]CC4)CC2)cc[nH+]1 ZINC000581066412 1185482647 /nfs/dbraw/zinc/48/26/47/1185482647.db2.gz MSFGSPAZKTUFNZ-HNNXBMFYSA-N 2 2 386.500 0.424 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430545508 1185566838 /nfs/dbraw/zinc/56/68/38/1185566838.db2.gz BILZFHYVYGHNFU-LPHOPBHVSA-N 2 2 388.512 0.834 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430545508 1185566842 /nfs/dbraw/zinc/56/68/42/1185566842.db2.gz BILZFHYVYGHNFU-LPHOPBHVSA-N 2 2 388.512 0.834 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000581313512 1185586022 /nfs/dbraw/zinc/58/60/22/1185586022.db2.gz IRMHWWRZWMJFCU-BHYGNILZSA-N 3 2 398.515 0.071 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000581313512 1185586028 /nfs/dbraw/zinc/58/60/28/1185586028.db2.gz IRMHWWRZWMJFCU-BHYGNILZSA-N 3 2 398.515 0.071 20 0 GCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000430562671 1185606077 /nfs/dbraw/zinc/60/60/77/1185606077.db2.gz SBLMJXUJPNWZCS-GOSISDBHSA-N 2 2 396.557 0.825 20 0 GCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000430562671 1185606081 /nfs/dbraw/zinc/60/60/81/1185606081.db2.gz SBLMJXUJPNWZCS-GOSISDBHSA-N 2 2 396.557 0.825 20 0 GCADLP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346478 1185620087 /nfs/dbraw/zinc/62/00/87/1185620087.db2.gz CSNLCMMGZFTJFS-QBPKDAKJSA-N 2 2 393.536 0.376 20 0 GCADLP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346478 1185620093 /nfs/dbraw/zinc/62/00/93/1185620093.db2.gz CSNLCMMGZFTJFS-QBPKDAKJSA-N 2 2 393.536 0.376 20 0 GCADLP CCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104347008 1185621645 /nfs/dbraw/zinc/62/16/45/1185621645.db2.gz PTXJLEXXFKSVGG-KLHDSHLOSA-N 2 2 379.505 0.925 20 0 GCADLP CCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104347008 1185621654 /nfs/dbraw/zinc/62/16/54/1185621654.db2.gz PTXJLEXXFKSVGG-KLHDSHLOSA-N 2 2 379.505 0.925 20 0 GCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000246427927 1185630198 /nfs/dbraw/zinc/63/01/98/1185630198.db2.gz WFAPJLCFGAFUTL-DLBZAZTESA-N 2 2 375.521 0.580 20 0 GCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000246427927 1185630206 /nfs/dbraw/zinc/63/02/06/1185630206.db2.gz WFAPJLCFGAFUTL-DLBZAZTESA-N 2 2 375.521 0.580 20 0 GCADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000430594054 1185658727 /nfs/dbraw/zinc/65/87/27/1185658727.db2.gz VAJXETRBBMCHNW-GOSISDBHSA-N 2 2 398.504 0.376 20 0 GCADLP COCCC1(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000891411771 1185711510 /nfs/dbraw/zinc/71/15/10/1185711510.db2.gz QXPXUBVVFXUHGH-GOSISDBHSA-N 2 2 386.562 0.652 20 0 GCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891421356 1185732829 /nfs/dbraw/zinc/73/28/29/1185732829.db2.gz MOYFTJWJPNVUDH-JQHSSLGASA-N 2 2 396.451 0.949 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276324653 1185737903 /nfs/dbraw/zinc/73/79/03/1185737903.db2.gz XZOYFVXSPVVNLT-IBGZPJMESA-N 2 2 378.517 0.625 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000581554129 1185757421 /nfs/dbraw/zinc/75/74/21/1185757421.db2.gz UJXRWPSQJRYOSN-UHFFFAOYSA-N 2 2 382.549 0.938 20 0 GCADLP C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC000430613716 1185767786 /nfs/dbraw/zinc/76/77/86/1185767786.db2.gz WGJVQYPDHNNDNE-UHFFFAOYSA-N 2 2 398.504 0.342 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC000430613716 1185767795 /nfs/dbraw/zinc/76/77/95/1185767795.db2.gz WGJVQYPDHNNDNE-UHFFFAOYSA-N 2 2 398.504 0.342 20 0 GCADLP CCCN(C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000581657285 1185818784 /nfs/dbraw/zinc/81/87/84/1185818784.db2.gz BZLPNYZVXNDDEY-ZWKOTPCHSA-N 2 2 380.533 0.737 20 0 GCADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[NH+]3CCC([NH3+])CC3)CC2)cc1 ZINC000430630570 1185819250 /nfs/dbraw/zinc/81/92/50/1185819250.db2.gz SKBFMPHBIBAWRJ-MRXNPFEDSA-N 2 2 394.541 0.640 20 0 GCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000430634477 1185825393 /nfs/dbraw/zinc/82/53/93/1185825393.db2.gz RXCBGSHWFKQUNL-MRXNPFEDSA-N 3 2 393.557 0.179 20 0 GCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000430634477 1185825399 /nfs/dbraw/zinc/82/53/99/1185825399.db2.gz RXCBGSHWFKQUNL-MRXNPFEDSA-N 3 2 393.557 0.179 20 0 GCADLP NS(=O)(=O)c1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000390862013 1185843209 /nfs/dbraw/zinc/84/32/09/1185843209.db2.gz LTIXAXDUWZWZCE-UHFFFAOYSA-N 2 2 378.498 0.834 20 0 GCADLP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000581822676 1185901994 /nfs/dbraw/zinc/90/19/94/1185901994.db2.gz JJQBTBHJAXGQSD-LJQANCHMSA-N 2 2 395.511 0.866 20 0 GCADLP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000891528252 1185905377 /nfs/dbraw/zinc/90/53/77/1185905377.db2.gz NVNWXRSAPLXVIY-VQIMIIECSA-N 2 2 375.517 0.987 20 0 GCADLP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000891528249 1185905772 /nfs/dbraw/zinc/90/57/72/1185905772.db2.gz NVNWXRSAPLXVIY-APWZRJJASA-N 2 2 375.517 0.987 20 0 GCADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000891538336 1185909379 /nfs/dbraw/zinc/90/93/79/1185909379.db2.gz USMJOGNSRAJALI-SFHVURJKSA-N 2 2 388.578 0.902 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000891537992 1185909611 /nfs/dbraw/zinc/90/96/11/1185909611.db2.gz PTFALFSPHHPLRL-SFHVURJKSA-N 2 2 386.562 0.671 20 0 GCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000891545272 1185913177 /nfs/dbraw/zinc/91/31/77/1185913177.db2.gz CHJPCLKQUNUJHK-BZUAXINKSA-N 2 2 389.504 0.413 20 0 GCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000891545272 1185913179 /nfs/dbraw/zinc/91/31/79/1185913179.db2.gz CHJPCLKQUNUJHK-BZUAXINKSA-N 2 2 389.504 0.413 20 0 GCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000891545274 1185913376 /nfs/dbraw/zinc/91/33/76/1185913376.db2.gz CHJPCLKQUNUJHK-OWCLPIDISA-N 2 2 389.504 0.413 20 0 GCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000891545274 1185913383 /nfs/dbraw/zinc/91/33/83/1185913383.db2.gz CHJPCLKQUNUJHK-OWCLPIDISA-N 2 2 389.504 0.413 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](C)C1 ZINC000581899385 1185958200 /nfs/dbraw/zinc/95/82/00/1185958200.db2.gz PPQAFIMIXVTWPP-OAHLLOKOSA-N 2 2 396.532 0.461 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](C)C1 ZINC000581899385 1185958205 /nfs/dbraw/zinc/95/82/05/1185958205.db2.gz PPQAFIMIXVTWPP-OAHLLOKOSA-N 2 2 396.532 0.461 20 0 GCADLP Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001707905250 1185996299 /nfs/dbraw/zinc/99/62/99/1185996299.db2.gz DUTTVRIUYMYIIW-PKOBYXMFSA-N 2 2 392.548 0.856 20 0 GCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276732812 1186001199 /nfs/dbraw/zinc/00/11/99/1186001199.db2.gz YNZMKKXQSVQKSS-IBGZPJMESA-N 2 2 386.496 0.038 20 0 GCADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000430744775 1186025954 /nfs/dbraw/zinc/02/59/54/1186025954.db2.gz TVZLTNLXUYVMOY-UHFFFAOYSA-N 2 2 387.484 0.871 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000430785423 1186029668 /nfs/dbraw/zinc/02/96/68/1186029668.db2.gz VOPHNZILAGCFHP-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000430785423 1186029672 /nfs/dbraw/zinc/02/96/72/1186029672.db2.gz VOPHNZILAGCFHP-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP NS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000510639147 1186044052 /nfs/dbraw/zinc/04/40/52/1186044052.db2.gz PMWCNCGPPOXOPA-MRXNPFEDSA-N 2 2 395.529 0.121 20 0 GCADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000510639147 1186044056 /nfs/dbraw/zinc/04/40/56/1186044056.db2.gz PMWCNCGPPOXOPA-MRXNPFEDSA-N 2 2 395.529 0.121 20 0 GCADLP CN(CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)S(C)(=O)=O ZINC001691231958 1186044304 /nfs/dbraw/zinc/04/43/04/1186044304.db2.gz HWQRRSQGVKPZJB-GBJTYRQASA-N 2 2 383.518 0.279 20 0 GCADLP CN(CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)S(C)(=O)=O ZINC001691231958 1186044309 /nfs/dbraw/zinc/04/43/09/1186044309.db2.gz HWQRRSQGVKPZJB-GBJTYRQASA-N 2 2 383.518 0.279 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(C)(C)[NH3+])cc2)CC1 ZINC000430881647 1186046202 /nfs/dbraw/zinc/04/62/02/1186046202.db2.gz DBTADZORJWMTPC-UHFFFAOYSA-N 2 2 376.501 0.626 20 0 GCADLP C[NH2+]C1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000430924396 1186054608 /nfs/dbraw/zinc/05/46/08/1186054608.db2.gz HXXXYWAJWDCEBS-UHFFFAOYSA-N 2 2 383.514 0.770 20 0 GCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000430929328 1186054670 /nfs/dbraw/zinc/05/46/70/1186054670.db2.gz OVJWQJMCACXNIR-RDJZCZTQSA-N 2 2 380.514 0.189 20 0 GCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000430929328 1186054678 /nfs/dbraw/zinc/05/46/78/1186054678.db2.gz OVJWQJMCACXNIR-RDJZCZTQSA-N 2 2 380.514 0.189 20 0 GCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430929322 1186054690 /nfs/dbraw/zinc/05/46/90/1186054690.db2.gz OVJWQJMCACXNIR-DOTOQJQBSA-N 2 2 380.514 0.189 20 0 GCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430929322 1186054695 /nfs/dbraw/zinc/05/46/95/1186054695.db2.gz OVJWQJMCACXNIR-DOTOQJQBSA-N 2 2 380.514 0.189 20 0 GCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC000430938404 1186057157 /nfs/dbraw/zinc/05/71/57/1186057157.db2.gz HYBIXLAMRNBDID-INIZCTEOSA-N 2 2 394.541 0.758 20 0 GCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC000430938404 1186057163 /nfs/dbraw/zinc/05/71/63/1186057163.db2.gz HYBIXLAMRNBDID-INIZCTEOSA-N 2 2 394.541 0.758 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000430939928 1186060078 /nfs/dbraw/zinc/06/00/78/1186060078.db2.gz MYRHAXFGJUETOT-AEFFLSMTSA-N 2 2 394.541 0.330 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000430939928 1186060084 /nfs/dbraw/zinc/06/00/84/1186060084.db2.gz MYRHAXFGJUETOT-AEFFLSMTSA-N 2 2 394.541 0.330 20 0 GCADLP CN1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+](C)CC1 ZINC000891829817 1186069877 /nfs/dbraw/zinc/06/98/77/1186069877.db2.gz JJUWIDUFLRCWOY-UHFFFAOYSA-N 2 2 389.548 0.222 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC[C@@H]1[NH3+] ZINC000430963909 1186071913 /nfs/dbraw/zinc/07/19/13/1186071913.db2.gz XBFIMOUGWBPIHO-PBHICJAKSA-N 2 2 398.504 0.328 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC[C@@H]1[NH3+] ZINC000430963909 1186071920 /nfs/dbraw/zinc/07/19/20/1186071920.db2.gz XBFIMOUGWBPIHO-PBHICJAKSA-N 2 2 398.504 0.328 20 0 GCADLP C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430967452 1186076614 /nfs/dbraw/zinc/07/66/14/1186076614.db2.gz SADBKLJASWQYON-HUUCEWRRSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430967452 1186076618 /nfs/dbraw/zinc/07/66/18/1186076618.db2.gz SADBKLJASWQYON-HUUCEWRRSA-N 2 2 396.513 0.315 20 0 GCADLP CCn1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001087181343 1186117248 /nfs/dbraw/zinc/11/72/48/1186117248.db2.gz MYQLBBZDRLHOKZ-XYVMCAHJSA-N 2 2 378.521 0.734 20 0 GCADLP CCn1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001087181343 1186117252 /nfs/dbraw/zinc/11/72/52/1186117252.db2.gz MYQLBBZDRLHOKZ-XYVMCAHJSA-N 2 2 378.521 0.734 20 0 GCADLP CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000276943318 1186166778 /nfs/dbraw/zinc/16/67/78/1186166778.db2.gz KHBBIZSWWHRDFQ-HZPDHXFCSA-N 2 2 387.488 0.559 20 0 GCADLP C[NH2+][C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)c1cnn(C)c1 ZINC000563095442 1186226683 /nfs/dbraw/zinc/22/66/83/1186226683.db2.gz XWMLPDBAEJQNJS-OFQRWUPVSA-N 2 2 390.467 0.270 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCCN3CC[NH2+]CC3)C2)c1 ZINC000891968160 1186260051 /nfs/dbraw/zinc/26/00/51/1186260051.db2.gz GSGUTUBHKOKSPR-HXUWFJFHSA-N 2 2 389.544 0.790 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCCCN3CC[NH2+]CC3)C2)c1 ZINC000891968160 1186260055 /nfs/dbraw/zinc/26/00/55/1186260055.db2.gz GSGUTUBHKOKSPR-HXUWFJFHSA-N 2 2 389.544 0.790 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCN3CC[NH2+]CC3)C2)cc1 ZINC000891973882 1186272288 /nfs/dbraw/zinc/27/22/88/1186272288.db2.gz YVCQEWBORLLVHN-LJQANCHMSA-N 2 2 375.517 0.400 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCCN3CC[NH2+]CC3)C2)cc1 ZINC000891973882 1186272293 /nfs/dbraw/zinc/27/22/93/1186272293.db2.gz YVCQEWBORLLVHN-LJQANCHMSA-N 2 2 375.517 0.400 20 0 GCADLP CC1(C)C[N@H+](CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCO1 ZINC000431289213 1186320043 /nfs/dbraw/zinc/32/00/43/1186320043.db2.gz WIFDIHVLRLWIBG-UHFFFAOYSA-N 2 2 383.537 0.389 20 0 GCADLP CC1(C)C[N@@H+](CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCO1 ZINC000431289213 1186320050 /nfs/dbraw/zinc/32/00/50/1186320050.db2.gz WIFDIHVLRLWIBG-UHFFFAOYSA-N 2 2 383.537 0.389 20 0 GCADLP CN1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+](C)CC1 ZINC000892125978 1186358155 /nfs/dbraw/zinc/35/81/55/1186358155.db2.gz SOLWIGYQWGZPOU-UHFFFAOYSA-N 2 2 389.544 0.908 20 0 GCADLP CN1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+](C)CC1 ZINC000892125978 1186358157 /nfs/dbraw/zinc/35/81/57/1186358157.db2.gz SOLWIGYQWGZPOU-UHFFFAOYSA-N 2 2 389.544 0.908 20 0 GCADLP [NH3+]Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000653224626 1186373737 /nfs/dbraw/zinc/37/37/37/1186373737.db2.gz XZYZAKCXRRINES-INIZCTEOSA-N 2 2 378.448 0.081 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892169762 1186394939 /nfs/dbraw/zinc/39/49/39/1186394939.db2.gz QNLGBNWIKRVOQJ-RTBURBONSA-N 2 2 376.501 0.874 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892169762 1186394943 /nfs/dbraw/zinc/39/49/43/1186394943.db2.gz QNLGBNWIKRVOQJ-RTBURBONSA-N 2 2 376.501 0.874 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892169758 1186395002 /nfs/dbraw/zinc/39/50/02/1186395002.db2.gz QNLGBNWIKRVOQJ-OALUTQOASA-N 2 2 376.501 0.874 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892169758 1186395007 /nfs/dbraw/zinc/39/50/07/1186395007.db2.gz QNLGBNWIKRVOQJ-OALUTQOASA-N 2 2 376.501 0.874 20 0 GCADLP C[C@@H](CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000157892649 1186400406 /nfs/dbraw/zinc/40/04/06/1186400406.db2.gz VWFWWIVZHVOLQC-KRWDZBQOSA-N 2 2 390.532 0.601 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000559549870 1186432497 /nfs/dbraw/zinc/43/24/97/1186432497.db2.gz NRIZBJBYLGDFKY-ROUUACIJSA-N 2 2 380.533 0.404 20 0 GCADLP O=C1C[C@H]([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CN1CC[NH+]1CCOCC1 ZINC000657368483 1186468177 /nfs/dbraw/zinc/46/81/77/1186468177.db2.gz XMNGTRHWEQOBFE-ICSRJNTNSA-N 2 2 389.496 0.877 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000582563420 1186567702 /nfs/dbraw/zinc/56/77/02/1186567702.db2.gz XCRQJJUTSYIDAL-IAGOWNOFSA-N 2 2 396.532 0.319 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000582563420 1186567704 /nfs/dbraw/zinc/56/77/04/1186567704.db2.gz XCRQJJUTSYIDAL-IAGOWNOFSA-N 2 2 396.532 0.319 20 0 GCADLP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000125586256 1186604989 /nfs/dbraw/zinc/60/49/89/1186604989.db2.gz DQKFXORCVSGUAV-UHFFFAOYSA-N 2 2 384.484 0.728 20 0 GCADLP C[NH+]1CCN(Cc2ccc(CNC(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000650628012 1186625673 /nfs/dbraw/zinc/62/56/73/1186625673.db2.gz IEUMECSJZQYREZ-HXUWFJFHSA-N 2 2 387.528 0.394 20 0 GCADLP C[NH+]1CCN(Cc2ccc(CNC(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000650628012 1186625679 /nfs/dbraw/zinc/62/56/79/1186625679.db2.gz IEUMECSJZQYREZ-HXUWFJFHSA-N 2 2 387.528 0.394 20 0 GCADLP CN1CC[NH+](Cc2ccc(CNC(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000650628012 1186625689 /nfs/dbraw/zinc/62/56/89/1186625689.db2.gz IEUMECSJZQYREZ-HXUWFJFHSA-N 2 2 387.528 0.394 20 0 GCADLP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000118122900 1186630478 /nfs/dbraw/zinc/63/04/78/1186630478.db2.gz FHIOITNTXHFBGR-UHFFFAOYSA-N 2 2 375.517 0.829 20 0 GCADLP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000118122900 1186630482 /nfs/dbraw/zinc/63/04/82/1186630482.db2.gz FHIOITNTXHFBGR-UHFFFAOYSA-N 2 2 375.517 0.829 20 0 GCADLP C[C@@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000077780943 1186654519 /nfs/dbraw/zinc/65/45/19/1186654519.db2.gz GBEMHEJPBSQNOH-INIZCTEOSA-N 2 2 376.505 0.353 20 0 GCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)cc2)CC1 ZINC000582788649 1186673230 /nfs/dbraw/zinc/67/32/30/1186673230.db2.gz KGVDWDCPOXPPPM-HXUWFJFHSA-N 2 2 397.527 0.962 20 0 GCADLP CNC(=O)COc1cccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000120039026 1186703102 /nfs/dbraw/zinc/70/31/02/1186703102.db2.gz JDQHTXSAYUVOIZ-UHFFFAOYSA-N 2 2 390.528 0.838 20 0 GCADLP CNC(=O)COc1cccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000120039026 1186703104 /nfs/dbraw/zinc/70/31/04/1186703104.db2.gz JDQHTXSAYUVOIZ-UHFFFAOYSA-N 2 2 390.528 0.838 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000162219604 1186746418 /nfs/dbraw/zinc/74/64/18/1186746418.db2.gz ZMUIWFPWNRCQCU-GOSISDBHSA-N 2 2 384.480 0.911 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000162219604 1186746420 /nfs/dbraw/zinc/74/64/20/1186746420.db2.gz ZMUIWFPWNRCQCU-GOSISDBHSA-N 2 2 384.480 0.911 20 0 GCADLP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657744010 1186805476 /nfs/dbraw/zinc/80/54/76/1186805476.db2.gz GBLMBFDPIPRABY-MSOLQXFVSA-N 2 2 378.517 0.396 20 0 GCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657745872 1186812176 /nfs/dbraw/zinc/81/21/76/1186812176.db2.gz SRLKTUVXVJHXKG-ROUUACIJSA-N 2 2 380.533 0.642 20 0 GCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657745872 1186812179 /nfs/dbraw/zinc/81/21/79/1186812179.db2.gz SRLKTUVXVJHXKG-ROUUACIJSA-N 2 2 380.533 0.642 20 0 GCADLP Cc1cc(C)c(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)[nH]1 ZINC000155974543 1186836271 /nfs/dbraw/zinc/83/62/71/1186836271.db2.gz ZIOTUORVSCWMOF-UHFFFAOYSA-N 2 2 375.517 0.942 20 0 GCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000150975375 1186848128 /nfs/dbraw/zinc/84/81/28/1186848128.db2.gz NVDAREKLAZNLHX-CQSZACIVSA-N 2 2 382.530 0.927 20 0 GCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000150975375 1186848132 /nfs/dbraw/zinc/84/81/32/1186848132.db2.gz NVDAREKLAZNLHX-CQSZACIVSA-N 2 2 382.530 0.927 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CCCCC1 ZINC000583430930 1186853148 /nfs/dbraw/zinc/85/31/48/1186853148.db2.gz IMJDKKDFKVGAGK-OKZBNKHCSA-N 2 2 380.533 0.770 20 0 GCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H](OC)C[C@H]3C[NH3+])CC2)cc1 ZINC000583444288 1186856882 /nfs/dbraw/zinc/85/68/82/1186856882.db2.gz VINBIMMPICRGQJ-AZUAARDMSA-N 2 2 390.528 0.778 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000583460163 1186862052 /nfs/dbraw/zinc/86/20/52/1186862052.db2.gz OTSATLIXMVOVSO-UHFFFAOYSA-N 3 2 395.592 0.709 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000583460163 1186862054 /nfs/dbraw/zinc/86/20/54/1186862054.db2.gz OTSATLIXMVOVSO-UHFFFAOYSA-N 3 2 395.592 0.709 20 0 GCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000157222045 1186909426 /nfs/dbraw/zinc/90/94/26/1186909426.db2.gz FXYUZKNEYZMDEJ-HXUWFJFHSA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000157222045 1186909429 /nfs/dbraw/zinc/90/94/29/1186909429.db2.gz FXYUZKNEYZMDEJ-HXUWFJFHSA-N 2 2 394.560 0.936 20 0 GCADLP [NH3+]C1(C[NH2+]CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCC1 ZINC000583693909 1186920257 /nfs/dbraw/zinc/92/02/57/1186920257.db2.gz PJDJRWLOWYBUFS-UHFFFAOYSA-N 2 2 384.477 0.130 20 0 GCADLP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685186038 1186922423 /nfs/dbraw/zinc/92/24/23/1186922423.db2.gz QJBVHWDNSKHLSD-CSODHUTKSA-N 2 2 394.560 0.933 20 0 GCADLP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685186038 1186922426 /nfs/dbraw/zinc/92/24/26/1186922426.db2.gz QJBVHWDNSKHLSD-CSODHUTKSA-N 2 2 394.560 0.933 20 0 GCADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000050798753 1186935092 /nfs/dbraw/zinc/93/50/92/1186935092.db2.gz WQEJNRZNYSGZIB-UHFFFAOYSA-N 2 2 386.500 0.858 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000151325356 1186976131 /nfs/dbraw/zinc/97/61/31/1186976131.db2.gz ABJONODRWVHDPR-UHFFFAOYSA-N 2 2 384.484 0.728 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000278666412 1187011961 /nfs/dbraw/zinc/01/19/61/1187011961.db2.gz BDNQXMICPWTZPJ-KRWDZBQOSA-N 2 2 390.532 0.696 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000584219783 1187017567 /nfs/dbraw/zinc/01/75/67/1187017567.db2.gz GKAUVBGMDMBMCK-UHFFFAOYSA-N 2 2 387.528 0.878 20 0 GCADLP O=C(CN1CC[C@H](N2CC[NH2+]CC2)C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000584235292 1187020083 /nfs/dbraw/zinc/02/00/83/1187020083.db2.gz OARAQNDUBRLNCW-INIZCTEOSA-N 2 2 378.546 0.657 20 0 GCADLP Cc1cccn2cc(CCNC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)[nH+]c12 ZINC000127731978 1187040628 /nfs/dbraw/zinc/04/06/28/1187040628.db2.gz UKZKAOQXBZPILN-UHFFFAOYSA-N 2 2 383.456 0.698 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000083694285 1187051497 /nfs/dbraw/zinc/05/14/97/1187051497.db2.gz UXADPXNPGQIYPU-OALUTQOASA-N 2 2 378.517 0.494 20 0 GCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000685304088 1187059527 /nfs/dbraw/zinc/05/95/27/1187059527.db2.gz YTTCXDTVVRBKEW-AYOQOUSVSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000685304088 1187059533 /nfs/dbraw/zinc/05/95/33/1187059533.db2.gz YTTCXDTVVRBKEW-AYOQOUSVSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685304088 1187059539 /nfs/dbraw/zinc/05/95/39/1187059539.db2.gz YTTCXDTVVRBKEW-AYOQOUSVSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685304088 1187059545 /nfs/dbraw/zinc/05/95/45/1187059545.db2.gz YTTCXDTVVRBKEW-AYOQOUSVSA-N 3 2 391.560 0.212 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657870152 1187079141 /nfs/dbraw/zinc/07/91/41/1187079141.db2.gz DUYDZXWGBAXULA-UHFFFAOYSA-N 2 2 389.500 0.299 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657870152 1187079148 /nfs/dbraw/zinc/07/91/48/1187079148.db2.gz DUYDZXWGBAXULA-UHFFFAOYSA-N 2 2 389.500 0.299 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000685336360 1187100686 /nfs/dbraw/zinc/10/06/86/1187100686.db2.gz VKTWVTNGGCCGAX-IAOVAPTHSA-N 2 2 380.464 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000685336360 1187100689 /nfs/dbraw/zinc/10/06/89/1187100689.db2.gz VKTWVTNGGCCGAX-IAOVAPTHSA-N 2 2 380.464 0.380 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685347059 1187110026 /nfs/dbraw/zinc/11/00/26/1187110026.db2.gz AFPRZAJVAAOTQP-KSZLIROESA-N 2 2 378.517 0.297 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685347059 1187110028 /nfs/dbraw/zinc/11/00/28/1187110028.db2.gz AFPRZAJVAAOTQP-KSZLIROESA-N 2 2 378.517 0.297 20 0 GCADLP CCc1cnccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685396187 1187121407 /nfs/dbraw/zinc/12/14/07/1187121407.db2.gz VBQXVPBNBWFOFO-LJQANCHMSA-N 2 2 387.528 0.887 20 0 GCADLP CCc1cnccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685396187 1187121411 /nfs/dbraw/zinc/12/14/11/1187121411.db2.gz VBQXVPBNBWFOFO-LJQANCHMSA-N 2 2 387.528 0.887 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892392597 1187122279 /nfs/dbraw/zinc/12/22/79/1187122279.db2.gz DTDBHFXCCHXDPC-AWEZNQCLSA-N 2 2 386.504 0.973 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443950 1187129407 /nfs/dbraw/zinc/12/94/07/1187129407.db2.gz GYGQFOMGBZUPLO-VQIMIIECSA-N 3 2 391.560 0.380 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443950 1187129411 /nfs/dbraw/zinc/12/94/11/1187129411.db2.gz GYGQFOMGBZUPLO-VQIMIIECSA-N 3 2 391.560 0.380 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443950 1187129413 /nfs/dbraw/zinc/12/94/13/1187129413.db2.gz GYGQFOMGBZUPLO-VQIMIIECSA-N 3 2 391.560 0.380 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443950 1187129415 /nfs/dbraw/zinc/12/94/15/1187129415.db2.gz GYGQFOMGBZUPLO-VQIMIIECSA-N 3 2 391.560 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443948 1187129523 /nfs/dbraw/zinc/12/95/23/1187129523.db2.gz GYGQFOMGBZUPLO-LPHOPBHVSA-N 3 2 391.560 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443948 1187129525 /nfs/dbraw/zinc/12/95/25/1187129525.db2.gz GYGQFOMGBZUPLO-LPHOPBHVSA-N 3 2 391.560 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443948 1187129528 /nfs/dbraw/zinc/12/95/28/1187129528.db2.gz GYGQFOMGBZUPLO-LPHOPBHVSA-N 3 2 391.560 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443948 1187129529 /nfs/dbraw/zinc/12/95/29/1187129529.db2.gz GYGQFOMGBZUPLO-LPHOPBHVSA-N 3 2 391.560 0.380 20 0 GCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685520154 1187142577 /nfs/dbraw/zinc/14/25/77/1187142577.db2.gz BQXWFYQFXGFQCO-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685520154 1187142583 /nfs/dbraw/zinc/14/25/83/1187142583.db2.gz BQXWFYQFXGFQCO-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431615698 1187179839 /nfs/dbraw/zinc/17/98/39/1187179839.db2.gz ACCHQIQXAPDDBB-KRWDZBQOSA-N 2 2 396.580 0.158 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431615698 1187179841 /nfs/dbraw/zinc/17/98/41/1187179841.db2.gz ACCHQIQXAPDDBB-KRWDZBQOSA-N 2 2 396.580 0.158 20 0 GCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000611975931 1187190759 /nfs/dbraw/zinc/19/07/59/1187190759.db2.gz OQJNLLYPGVGGNW-UHFFFAOYSA-N 2 2 383.489 0.402 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]ccc3OC)C2)CC[N@@H+]1C ZINC001024385628 1187372976 /nfs/dbraw/zinc/37/29/76/1187372976.db2.gz IMVJWLCPPPLFLK-YLFCFFPRSA-N 2 2 390.484 0.051 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]ccc3OC)C2)CC[N@H+]1C ZINC001024385628 1187372978 /nfs/dbraw/zinc/37/29/78/1187372978.db2.gz IMVJWLCPPPLFLK-YLFCFFPRSA-N 2 2 390.484 0.051 20 0 GCADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000375808640 1187426911 /nfs/dbraw/zinc/42/69/11/1187426911.db2.gz DGGJJBBLAPNXJB-MJGOQNOKSA-N 2 2 394.560 0.746 20 0 GCADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000375808640 1187426914 /nfs/dbraw/zinc/42/69/14/1187426914.db2.gz DGGJJBBLAPNXJB-MJGOQNOKSA-N 2 2 394.560 0.746 20 0 GCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)o1 ZINC000658791682 1187484658 /nfs/dbraw/zinc/48/46/58/1187484658.db2.gz FKFTVPDXYDTWIY-UHFFFAOYSA-N 2 2 394.516 0.393 20 0 GCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)o1 ZINC000658791682 1187484668 /nfs/dbraw/zinc/48/46/68/1187484668.db2.gz FKFTVPDXYDTWIY-UHFFFAOYSA-N 2 2 394.516 0.393 20 0 GCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000584484486 1187508639 /nfs/dbraw/zinc/50/86/39/1187508639.db2.gz HZMHUPNWTSGVLT-UHFFFAOYSA-N 2 2 390.528 0.724 20 0 GCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000584484486 1187508644 /nfs/dbraw/zinc/50/86/44/1187508644.db2.gz HZMHUPNWTSGVLT-UHFFFAOYSA-N 2 2 390.528 0.724 20 0 GCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544541 1187521906 /nfs/dbraw/zinc/52/19/06/1187521906.db2.gz DSGIMACXZKABND-WMZOPIPTSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544541 1187521910 /nfs/dbraw/zinc/52/19/10/1187521910.db2.gz DSGIMACXZKABND-WMZOPIPTSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544541 1187521912 /nfs/dbraw/zinc/52/19/12/1187521912.db2.gz DSGIMACXZKABND-WMZOPIPTSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544541 1187521915 /nfs/dbraw/zinc/52/19/15/1187521915.db2.gz DSGIMACXZKABND-WMZOPIPTSA-N 3 2 379.549 0.214 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000658810660 1187533367 /nfs/dbraw/zinc/53/33/67/1187533367.db2.gz NEKXLOYIYZHUIQ-RBUKOAKNSA-N 2 2 392.544 0.787 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000413865494 1187552034 /nfs/dbraw/zinc/55/20/34/1187552034.db2.gz CSVXAFYBGRXCRW-UHFFFAOYSA-N 2 2 383.533 0.827 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000612721760 1187564547 /nfs/dbraw/zinc/56/45/47/1187564547.db2.gz FZHQUEAXJSVLQO-LJQANCHMSA-N 2 2 387.528 0.083 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000612721760 1187564552 /nfs/dbraw/zinc/56/45/52/1187564552.db2.gz FZHQUEAXJSVLQO-LJQANCHMSA-N 2 2 387.528 0.083 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000612773605 1187581053 /nfs/dbraw/zinc/58/10/53/1187581053.db2.gz BVRWOEPYXKXSLH-CALCHBBNSA-N 2 2 394.560 0.792 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000612773605 1187581055 /nfs/dbraw/zinc/58/10/55/1187581055.db2.gz BVRWOEPYXKXSLH-CALCHBBNSA-N 2 2 394.560 0.792 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000413917668 1187587010 /nfs/dbraw/zinc/58/70/10/1187587010.db2.gz KISUKGHVLAWSDX-MOPGFXCFSA-N 2 2 388.512 0.538 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000413917668 1187587014 /nfs/dbraw/zinc/58/70/14/1187587014.db2.gz KISUKGHVLAWSDX-MOPGFXCFSA-N 2 2 388.512 0.538 20 0 GCADLP C[C@@]1(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]C1 ZINC000612881347 1187611043 /nfs/dbraw/zinc/61/10/43/1187611043.db2.gz QODFFHLIGQIJBN-HNAYVOBHSA-N 2 2 389.504 0.333 20 0 GCADLP C[C@@]1(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]C1 ZINC000612881347 1187611045 /nfs/dbraw/zinc/61/10/45/1187611045.db2.gz QODFFHLIGQIJBN-HNAYVOBHSA-N 2 2 389.504 0.333 20 0 GCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612901556 1187616233 /nfs/dbraw/zinc/61/62/33/1187616233.db2.gz GXMIOHJTASYWMB-HOTGVXAUSA-N 2 2 398.515 0.920 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000413969411 1187618953 /nfs/dbraw/zinc/61/89/53/1187618953.db2.gz VBTQIJBHCFNKLW-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000413969411 1187618955 /nfs/dbraw/zinc/61/89/55/1187618955.db2.gz VBTQIJBHCFNKLW-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612971535 1187627985 /nfs/dbraw/zinc/62/79/85/1187627985.db2.gz RRCLLEURCOTJIK-INIZCTEOSA-N 2 2 386.500 0.562 20 0 GCADLP Cc1csc2ncc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(=O)n12 ZINC000376169323 1187642831 /nfs/dbraw/zinc/64/28/31/1187642831.db2.gz YLPKQTVUSSKZPN-ZDUSSCGKSA-N 2 2 375.498 0.963 20 0 GCADLP Cc1csc2ncc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(=O)n12 ZINC000376169323 1187642834 /nfs/dbraw/zinc/64/28/34/1187642834.db2.gz YLPKQTVUSSKZPN-ZDUSSCGKSA-N 2 2 375.498 0.963 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)CC2)CC1 ZINC000892521692 1187664127 /nfs/dbraw/zinc/66/41/27/1187664127.db2.gz BKHWFCZSDGDUPN-YWZLYKJASA-N 2 2 377.533 0.842 20 0 GCADLP CCCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000376216783 1187693251 /nfs/dbraw/zinc/69/32/51/1187693251.db2.gz BQVRLAXOFXYGLN-GOSISDBHSA-N 2 2 380.533 0.502 20 0 GCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)[nH]n1 ZINC000613225774 1187700928 /nfs/dbraw/zinc/70/09/28/1187700928.db2.gz JESTUEFXFAXMDW-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)c1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)[nH]n1 ZINC000613225774 1187700934 /nfs/dbraw/zinc/70/09/34/1187700934.db2.gz JESTUEFXFAXMDW-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)[nH]n1 ZINC000613225774 1187700939 /nfs/dbraw/zinc/70/09/39/1187700939.db2.gz JESTUEFXFAXMDW-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)[nH]n1 ZINC000613225774 1187700944 /nfs/dbraw/zinc/70/09/44/1187700944.db2.gz JESTUEFXFAXMDW-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)n[nH]1 ZINC000613225774 1187700948 /nfs/dbraw/zinc/70/09/48/1187700948.db2.gz JESTUEFXFAXMDW-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)n[nH]1 ZINC000613225774 1187700951 /nfs/dbraw/zinc/70/09/51/1187700951.db2.gz JESTUEFXFAXMDW-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)c1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)n[nH]1 ZINC000613225774 1187700955 /nfs/dbraw/zinc/70/09/55/1187700955.db2.gz JESTUEFXFAXMDW-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)n[nH]1 ZINC000613225774 1187700959 /nfs/dbraw/zinc/70/09/59/1187700959.db2.gz JESTUEFXFAXMDW-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000134038446 1187744361 /nfs/dbraw/zinc/74/43/61/1187744361.db2.gz SWRSNDQSUUEBNU-WBVHZDCISA-N 2 2 376.505 0.352 20 0 GCADLP C[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134038446 1187744365 /nfs/dbraw/zinc/74/43/65/1187744365.db2.gz SWRSNDQSUUEBNU-WBVHZDCISA-N 2 2 376.505 0.352 20 0 GCADLP C[C@H]([C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[NH+]1CCOCC1 ZINC000376314713 1187758666 /nfs/dbraw/zinc/75/86/66/1187758666.db2.gz CVFRQPMTCNYWSY-VQTPCSAVSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@H]([C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[NH+]1CCOCC1 ZINC000376314713 1187758672 /nfs/dbraw/zinc/75/86/72/1187758672.db2.gz CVFRQPMTCNYWSY-VQTPCSAVSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376322271 1187762140 /nfs/dbraw/zinc/76/21/40/1187762140.db2.gz MBZRYVAVALADGO-DOTOQJQBSA-N 2 2 381.521 0.044 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@@H](C)O1 ZINC000658944876 1187805327 /nfs/dbraw/zinc/80/53/27/1187805327.db2.gz PKSUECJMFVJXHD-MKXGPGLRSA-N 2 2 390.528 0.559 20 0 GCADLP NC(=O)C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCOCC1 ZINC000186090504 1187825643 /nfs/dbraw/zinc/82/56/43/1187825643.db2.gz MQPSYDRPWICETJ-KRWDZBQOSA-N 2 2 394.541 0.653 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC2(CCC2)O1 ZINC000647558311 1187883792 /nfs/dbraw/zinc/88/37/92/1187883792.db2.gz CTLIKUGFSWIQFQ-FUHWJXTLSA-N 2 2 392.544 0.783 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC2(CCC2)O1 ZINC000647558311 1187883795 /nfs/dbraw/zinc/88/37/95/1187883795.db2.gz CTLIKUGFSWIQFQ-FUHWJXTLSA-N 2 2 392.544 0.783 20 0 GCADLP O=C(CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000376495583 1187890474 /nfs/dbraw/zinc/89/04/74/1187890474.db2.gz PGGDDOVHOPGODV-RBUKOAKNSA-N 2 2 387.528 0.651 20 0 GCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC2)C1 ZINC000659257055 1187920794 /nfs/dbraw/zinc/92/07/94/1187920794.db2.gz WKWVHJLZJJGZAW-ROUUACIJSA-N 2 2 388.516 0.285 20 0 GCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC2)C1 ZINC000659257055 1187920797 /nfs/dbraw/zinc/92/07/97/1187920797.db2.gz WKWVHJLZJJGZAW-ROUUACIJSA-N 2 2 388.516 0.285 20 0 GCADLP O=C(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659256997 1187920975 /nfs/dbraw/zinc/92/09/75/1187920975.db2.gz VQRCRBCAHXGFSH-SFHVURJKSA-N 2 2 389.500 0.617 20 0 GCADLP O=C(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659256996 1187921236 /nfs/dbraw/zinc/92/12/36/1187921236.db2.gz VQRCRBCAHXGFSH-GOSISDBHSA-N 2 2 389.500 0.617 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC[N@@H+]1CC(C)(C)O ZINC000659256676 1187921866 /nfs/dbraw/zinc/92/18/66/1187921866.db2.gz RFPUEKMKIDEGQQ-JKSUJKDBSA-N 2 2 377.489 0.350 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC[N@H+]1CC(C)(C)O ZINC000659256676 1187921868 /nfs/dbraw/zinc/92/18/68/1187921868.db2.gz RFPUEKMKIDEGQQ-JKSUJKDBSA-N 2 2 377.489 0.350 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345056 1187945144 /nfs/dbraw/zinc/94/51/44/1187945144.db2.gz VRMHIKUHLRQYKK-MJGOQNOKSA-N 3 2 393.576 0.602 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345056 1187945147 /nfs/dbraw/zinc/94/51/47/1187945147.db2.gz VRMHIKUHLRQYKK-MJGOQNOKSA-N 3 2 393.576 0.602 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345084 1187945185 /nfs/dbraw/zinc/94/51/85/1187945185.db2.gz YNZPOWLQCRQITN-RTBURBONSA-N 3 2 393.576 0.556 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345084 1187945188 /nfs/dbraw/zinc/94/51/88/1187945188.db2.gz YNZPOWLQCRQITN-RTBURBONSA-N 3 2 393.576 0.556 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000659345076 1187945474 /nfs/dbraw/zinc/94/54/74/1187945474.db2.gz YCMVGLPCYCZOFT-WBVHZDCISA-N 2 2 380.533 0.639 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000659345076 1187945476 /nfs/dbraw/zinc/94/54/76/1187945476.db2.gz YCMVGLPCYCZOFT-WBVHZDCISA-N 2 2 380.533 0.639 20 0 GCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345105 1187945612 /nfs/dbraw/zinc/94/56/12/1187945612.db2.gz ZKYNLWOWIZWBFH-LJQANCHMSA-N 3 2 393.576 0.558 20 0 GCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345105 1187945614 /nfs/dbraw/zinc/94/56/14/1187945614.db2.gz ZKYNLWOWIZWBFH-LJQANCHMSA-N 3 2 393.576 0.558 20 0 GCADLP CCO[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659344573 1187946742 /nfs/dbraw/zinc/94/67/42/1187946742.db2.gz GSTDOFZRTKNTGK-MSOLQXFVSA-N 2 2 380.533 0.641 20 0 GCADLP CCO[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659344573 1187946744 /nfs/dbraw/zinc/94/67/44/1187946744.db2.gz GSTDOFZRTKNTGK-MSOLQXFVSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)C(=O)N1CCSC(C)(C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344859 1187946756 /nfs/dbraw/zinc/94/67/56/1187946756.db2.gz NHHNRMQXOYXYSO-MRXNPFEDSA-N 2 2 382.574 0.967 20 0 GCADLP CN(C(=O)C(=O)N1CCSC(C)(C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344859 1187946758 /nfs/dbraw/zinc/94/67/58/1187946758.db2.gz NHHNRMQXOYXYSO-MRXNPFEDSA-N 2 2 382.574 0.967 20 0 GCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000659454894 1187960232 /nfs/dbraw/zinc/96/02/32/1187960232.db2.gz PPCUNCLHWPXSKP-CABCVRRESA-N 2 2 377.493 0.189 20 0 GCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000659454894 1187960233 /nfs/dbraw/zinc/96/02/33/1187960233.db2.gz PPCUNCLHWPXSKP-CABCVRRESA-N 2 2 377.493 0.189 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000650974610 1187968034 /nfs/dbraw/zinc/96/80/34/1187968034.db2.gz RTAHBVFBJQCUQR-RTBURBONSA-N 2 2 398.548 0.354 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659585010 1187973131 /nfs/dbraw/zinc/97/31/31/1187973131.db2.gz PSQPRTVYMIBJNV-GUDVDZBRSA-N 2 2 394.491 0.606 20 0 GCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000659684344 1187995708 /nfs/dbraw/zinc/99/57/08/1187995708.db2.gz GXZVLMNPJWXPJK-UHFFFAOYSA-N 2 2 389.500 0.401 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104699459 1188001533 /nfs/dbraw/zinc/00/15/33/1188001533.db2.gz URJFLAKBVWQXMR-QBPKDAKJSA-N 2 2 388.516 0.623 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104699268 1188001942 /nfs/dbraw/zinc/00/19/42/1188001942.db2.gz KKUTVSWEJKDWOS-KBUPBQIOSA-N 2 2 387.488 0.220 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104699095 1188005979 /nfs/dbraw/zinc/00/59/79/1188005979.db2.gz CLWXQQICCFRTKV-KLHDSHLOSA-N 2 2 382.530 0.642 20 0 GCADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC000659844395 1188028460 /nfs/dbraw/zinc/02/84/60/1188028460.db2.gz JYAVTOYHGUQVCR-UHFFFAOYSA-N 2 2 376.505 0.975 20 0 GCADLP CC(C)[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000909323068 1188055299 /nfs/dbraw/zinc/05/52/99/1188055299.db2.gz HPKNRLWYPBNKGG-ZHALLVOQSA-N 2 2 382.549 0.839 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000584530494 1188056034 /nfs/dbraw/zinc/05/60/34/1188056034.db2.gz SSGBLQAOHGDSTE-UHFFFAOYSA-N 2 2 376.501 0.514 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000415390630 1188069205 /nfs/dbraw/zinc/06/92/05/1188069205.db2.gz HSNOJJOPTSMDCF-QGZVFWFLSA-N 2 2 387.528 0.878 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH2+]C)cc2)CC1 ZINC000415409134 1188072016 /nfs/dbraw/zinc/07/20/16/1188072016.db2.gz DFBLUXKJBSEZMI-MRXNPFEDSA-N 2 2 375.517 0.734 20 0 GCADLP CC(C)CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000377575146 1188078521 /nfs/dbraw/zinc/07/85/21/1188078521.db2.gz LHWQZLVKDJCTMA-GOSISDBHSA-N 2 2 394.560 0.746 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(CN4CCNC4=O)CC3)C2)CC1 ZINC000893021501 1188104119 /nfs/dbraw/zinc/10/41/19/1188104119.db2.gz GLTYSDISTFYHBV-KRWDZBQOSA-N 2 2 392.548 0.602 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(CN4CCNC4=O)CC3)C2)CC1 ZINC000893021501 1188104120 /nfs/dbraw/zinc/10/41/20/1188104120.db2.gz GLTYSDISTFYHBV-KRWDZBQOSA-N 2 2 392.548 0.602 20 0 GCADLP COC(=O)c1cc(C2CN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)[nH]n1 ZINC000893023429 1188105540 /nfs/dbraw/zinc/10/55/40/1188105540.db2.gz QNVYKUSPZULCRT-AWEZNQCLSA-N 2 2 390.488 0.474 20 0 GCADLP COC(=O)c1cc(C2CN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)[nH]n1 ZINC000893023429 1188105542 /nfs/dbraw/zinc/10/55/42/1188105542.db2.gz QNVYKUSPZULCRT-AWEZNQCLSA-N 2 2 390.488 0.474 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4cc(=O)[nH]cn4)C3)C2)CC1 ZINC000893024421 1188105714 /nfs/dbraw/zinc/10/57/14/1188105714.db2.gz VFRFEUUKIBAHOF-CABCVRRESA-N 2 2 389.504 0.229 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4cc(=O)[nH]cn4)C3)C2)CC1 ZINC000893024421 1188105717 /nfs/dbraw/zinc/10/57/17/1188105717.db2.gz VFRFEUUKIBAHOF-CABCVRRESA-N 2 2 389.504 0.229 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC(F)(F)C[NH3+])C[C@@H](C)O1 ZINC000415619200 1188127694 /nfs/dbraw/zinc/12/76/94/1188127694.db2.gz YFYNHWKCCCWVAR-CHWSQXEVSA-N 2 2 384.427 0.945 20 0 GCADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415868220 1189388843 /nfs/dbraw/zinc/38/88/43/1189388843.db2.gz QEAOQHHYPXRJAY-KRWDZBQOSA-N 2 2 383.452 0.930 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415880416 1189395504 /nfs/dbraw/zinc/39/55/04/1189395504.db2.gz RQXYZSDJFYJTSA-WSTZPKSXSA-N 2 2 399.539 0.877 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415898928 1189400532 /nfs/dbraw/zinc/40/05/32/1189400532.db2.gz UEWKALJKKAXZPS-MOPGFXCFSA-N 2 2 399.539 0.831 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415898932 1189400605 /nfs/dbraw/zinc/40/06/05/1189400605.db2.gz UEWKALJKKAXZPS-OALUTQOASA-N 2 2 399.539 0.831 20 0 GCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC000378096297 1189414283 /nfs/dbraw/zinc/41/42/83/1189414283.db2.gz CQHUKZNTOOAMCM-SFHVURJKSA-N 2 2 381.565 0.907 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C2)CC1 ZINC000651322344 1189434215 /nfs/dbraw/zinc/43/42/15/1189434215.db2.gz NSVOVGYTWHUJLH-AEFFLSMTSA-N 2 2 392.475 0.201 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C2)CC1 ZINC000651322344 1189434218 /nfs/dbraw/zinc/43/42/18/1189434218.db2.gz NSVOVGYTWHUJLH-AEFFLSMTSA-N 2 2 392.475 0.201 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)OCCO4)C2)CC1 ZINC000363899514 1189560349 /nfs/dbraw/zinc/56/03/49/1189560349.db2.gz IDMPVDCILMMBIT-HNNXBMFYSA-N 2 2 388.468 0.681 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)OCCO4)C2)CC1 ZINC000363899514 1189560352 /nfs/dbraw/zinc/56/03/52/1189560352.db2.gz IDMPVDCILMMBIT-HNNXBMFYSA-N 2 2 388.468 0.681 20 0 GCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000660068978 1189572179 /nfs/dbraw/zinc/57/21/79/1189572179.db2.gz FDWVKCFLNQMBTK-LJQANCHMSA-N 2 2 392.544 0.744 20 0 GCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000660068978 1189572180 /nfs/dbraw/zinc/57/21/80/1189572180.db2.gz FDWVKCFLNQMBTK-LJQANCHMSA-N 2 2 392.544 0.744 20 0 GCADLP O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416806332 1189583257 /nfs/dbraw/zinc/58/32/57/1189583257.db2.gz FUIUMIOYBDXOHY-IBGZPJMESA-N 2 2 375.517 0.482 20 0 GCADLP O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416806332 1189583260 /nfs/dbraw/zinc/58/32/60/1189583260.db2.gz FUIUMIOYBDXOHY-IBGZPJMESA-N 2 2 375.517 0.482 20 0 GCADLP O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416806333 1189583404 /nfs/dbraw/zinc/58/34/04/1189583404.db2.gz FUIUMIOYBDXOHY-LJQANCHMSA-N 2 2 375.517 0.482 20 0 GCADLP O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416806333 1189583408 /nfs/dbraw/zinc/58/34/08/1189583408.db2.gz FUIUMIOYBDXOHY-LJQANCHMSA-N 2 2 375.517 0.482 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000108873391 1189591474 /nfs/dbraw/zinc/59/14/74/1189591474.db2.gz TYFBUDFJNNQFRH-HDICACEKSA-N 2 2 394.560 0.888 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000584723527 1189640254 /nfs/dbraw/zinc/64/02/54/1189640254.db2.gz QOONXFZCPNBELU-LJQANCHMSA-N 2 2 383.496 0.979 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000584723527 1189640257 /nfs/dbraw/zinc/64/02/57/1189640257.db2.gz QOONXFZCPNBELU-LJQANCHMSA-N 2 2 383.496 0.979 20 0 GCADLP C[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C[NH3+])C1 ZINC000417368818 1189654469 /nfs/dbraw/zinc/65/44/69/1189654469.db2.gz PIYOGZCXTSCBLW-IRXDYDNUSA-N 2 2 388.516 0.889 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@H]1[NH+]1CCOCC1 ZINC000584776020 1189661189 /nfs/dbraw/zinc/66/11/89/1189661189.db2.gz CXUJLOZLTDLNBP-KZNAEPCWSA-N 2 2 392.544 0.546 20 0 GCADLP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000431949828 1189671921 /nfs/dbraw/zinc/67/19/21/1189671921.db2.gz KBBMQJIXTRMJMD-LPHOPBHVSA-N 2 2 393.532 0.684 20 0 GCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000925608665 1189679494 /nfs/dbraw/zinc/67/94/94/1189679494.db2.gz HFHBLMFUFYTSPW-KRWDZBQOSA-N 2 2 395.548 0.613 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC000584826983 1189681892 /nfs/dbraw/zinc/68/18/92/1189681892.db2.gz QKKKBEIFZXNUND-ZACQAIPSSA-N 2 2 382.505 0.376 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@@H+](C)C1 ZINC000584826983 1189681894 /nfs/dbraw/zinc/68/18/94/1189681894.db2.gz QKKKBEIFZXNUND-ZACQAIPSSA-N 2 2 382.505 0.376 20 0 GCADLP [NH3+][C@H](CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000417618773 1189689833 /nfs/dbraw/zinc/68/98/33/1189689833.db2.gz HDJAVZKFRZYBNP-JKSUJKDBSA-N 2 2 389.504 0.319 20 0 GCADLP [NH3+][C@H](CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000417618773 1189689838 /nfs/dbraw/zinc/68/98/38/1189689838.db2.gz HDJAVZKFRZYBNP-JKSUJKDBSA-N 2 2 389.504 0.319 20 0 GCADLP O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417618322 1189690280 /nfs/dbraw/zinc/69/02/80/1189690280.db2.gz GKQZZNURAIRESY-CVEARBPZSA-N 2 2 389.504 0.333 20 0 GCADLP O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417618322 1189690282 /nfs/dbraw/zinc/69/02/82/1189690282.db2.gz GKQZZNURAIRESY-CVEARBPZSA-N 2 2 389.504 0.333 20 0 GCADLP O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417613647 1189690441 /nfs/dbraw/zinc/69/04/41/1189690441.db2.gz AAFCOGOPWAZLFJ-HZPDHXFCSA-N 2 2 389.504 0.333 20 0 GCADLP O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417613647 1189690447 /nfs/dbraw/zinc/69/04/47/1189690447.db2.gz AAFCOGOPWAZLFJ-HZPDHXFCSA-N 2 2 389.504 0.333 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417615284 1189690709 /nfs/dbraw/zinc/69/07/09/1189690709.db2.gz CJWGAWNYKBSCDA-CVEARBPZSA-N 2 2 391.520 0.437 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417615284 1189690714 /nfs/dbraw/zinc/69/07/14/1189690714.db2.gz CJWGAWNYKBSCDA-CVEARBPZSA-N 2 2 391.520 0.437 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000660260612 1189695369 /nfs/dbraw/zinc/69/53/69/1189695369.db2.gz AGTBDYHUYGCIDI-BZSNNMDCSA-N 2 2 380.533 0.641 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000660260612 1189695373 /nfs/dbraw/zinc/69/53/73/1189695373.db2.gz AGTBDYHUYGCIDI-BZSNNMDCSA-N 2 2 380.533 0.641 20 0 GCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000636523931 1189697571 /nfs/dbraw/zinc/69/75/71/1189697571.db2.gz YWMNSFBVGLZADK-UHFFFAOYSA-N 2 2 381.565 0.909 20 0 GCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])nc[nH+]1 ZINC000417779179 1189704608 /nfs/dbraw/zinc/70/46/08/1189704608.db2.gz UNOOCFHZEOWITL-QLFBSQMISA-N 2 2 377.493 0.635 20 0 GCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])[nH+]cn1 ZINC000417779179 1189704612 /nfs/dbraw/zinc/70/46/12/1189704612.db2.gz UNOOCFHZEOWITL-QLFBSQMISA-N 2 2 377.493 0.635 20 0 GCADLP CCN1C(=O)[C@H]2C[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CCN2C1=O ZINC000364281548 1189731199 /nfs/dbraw/zinc/73/11/99/1189731199.db2.gz MKZMCWBSQVKMOV-DLBZAZTESA-N 2 2 387.484 0.374 20 0 GCADLP CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CCN2C1=O ZINC000364281548 1189731200 /nfs/dbraw/zinc/73/12/00/1189731200.db2.gz MKZMCWBSQVKMOV-DLBZAZTESA-N 2 2 387.484 0.374 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000500263605 1189753325 /nfs/dbraw/zinc/75/33/25/1189753325.db2.gz JSLUGUJSKDHYFY-QGZVFWFLSA-N 2 2 387.484 0.910 20 0 GCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000636547753 1189758237 /nfs/dbraw/zinc/75/82/37/1189758237.db2.gz QFEVXSQYNYGRIS-FQEVSTJZSA-N 2 2 389.544 0.690 20 0 GCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000636547753 1189758241 /nfs/dbraw/zinc/75/82/41/1189758241.db2.gz QFEVXSQYNYGRIS-FQEVSTJZSA-N 2 2 389.544 0.690 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418361203 1189767323 /nfs/dbraw/zinc/76/73/23/1189767323.db2.gz CCLSLUFTLCPYLL-OAHLLOKOSA-N 2 2 377.493 0.000 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418361203 1189767326 /nfs/dbraw/zinc/76/73/26/1189767326.db2.gz CCLSLUFTLCPYLL-OAHLLOKOSA-N 2 2 377.493 0.000 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418382232 1189771573 /nfs/dbraw/zinc/77/15/73/1189771573.db2.gz LVIVRJBCVKWMMF-OAHLLOKOSA-N 2 2 377.493 0.128 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418382232 1189771579 /nfs/dbraw/zinc/77/15/79/1189771579.db2.gz LVIVRJBCVKWMMF-OAHLLOKOSA-N 2 2 377.493 0.128 20 0 GCADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000893354630 1189774914 /nfs/dbraw/zinc/77/49/14/1189774914.db2.gz OOFYHENZUAVVGB-QGZVFWFLSA-N 2 2 375.469 0.804 20 0 GCADLP CCC([NH3+])(CC)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418427130 1189784217 /nfs/dbraw/zinc/78/42/17/1189784217.db2.gz AMBBXFFBOWSOHA-UHFFFAOYSA-N 2 2 391.520 0.662 20 0 GCADLP CCC([NH3+])(CC)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418427130 1189784221 /nfs/dbraw/zinc/78/42/21/1189784221.db2.gz AMBBXFFBOWSOHA-UHFFFAOYSA-N 2 2 391.520 0.662 20 0 GCADLP CCC[NH2+]CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418476554 1189799035 /nfs/dbraw/zinc/79/90/35/1189799035.db2.gz AMEOHKNDANULLF-UHFFFAOYSA-N 2 2 377.493 0.144 20 0 GCADLP CCC[NH2+]CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418476554 1189799041 /nfs/dbraw/zinc/79/90/41/1189799041.db2.gz AMEOHKNDANULLF-UHFFFAOYSA-N 2 2 377.493 0.144 20 0 GCADLP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000636561676 1189811249 /nfs/dbraw/zinc/81/12/49/1189811249.db2.gz YTPIDNDNFYMRNQ-FQEVSTJZSA-N 2 2 389.544 0.560 20 0 GCADLP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636561676 1189811258 /nfs/dbraw/zinc/81/12/58/1189811258.db2.gz YTPIDNDNFYMRNQ-FQEVSTJZSA-N 2 2 389.544 0.560 20 0 GCADLP C[C@H]1C[NH+](CCOC2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000418528303 1189815793 /nfs/dbraw/zinc/81/57/93/1189815793.db2.gz VOASOVBRQOPFDB-KBPBESRZSA-N 2 2 378.464 0.880 20 0 GCADLP Cc1noc(CCC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000106041345 1189844496 /nfs/dbraw/zinc/84/44/96/1189844496.db2.gz IBVKCDKMJRFAEB-UHFFFAOYSA-N 2 2 392.504 0.007 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974584324 1189851262 /nfs/dbraw/zinc/85/12/62/1189851262.db2.gz NFZIMRCXVPDSGO-YFHUEUNASA-N 2 2 383.496 0.679 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000660532530 1189888938 /nfs/dbraw/zinc/88/89/38/1189888938.db2.gz QDQPQHVOGFVYNF-IAGOWNOFSA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000660532530 1189888943 /nfs/dbraw/zinc/88/89/43/1189888943.db2.gz QDQPQHVOGFVYNF-IAGOWNOFSA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000660532530 1189888948 /nfs/dbraw/zinc/88/89/48/1189888948.db2.gz QDQPQHVOGFVYNF-IAGOWNOFSA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000660532530 1189888950 /nfs/dbraw/zinc/88/89/50/1189888950.db2.gz QDQPQHVOGFVYNF-IAGOWNOFSA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000660532538 1189890437 /nfs/dbraw/zinc/89/04/37/1189890437.db2.gz QDQPQHVOGFVYNF-SJORKVTESA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000660532538 1189890442 /nfs/dbraw/zinc/89/04/42/1189890442.db2.gz QDQPQHVOGFVYNF-SJORKVTESA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000660532538 1189890447 /nfs/dbraw/zinc/89/04/47/1189890447.db2.gz QDQPQHVOGFVYNF-SJORKVTESA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000660532538 1189890452 /nfs/dbraw/zinc/89/04/52/1189890452.db2.gz QDQPQHVOGFVYNF-SJORKVTESA-N 2 2 380.533 0.498 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000660542713 1189895385 /nfs/dbraw/zinc/89/53/85/1189895385.db2.gz GTUKUXRJNNRCQM-FGTMMUONSA-N 2 2 378.517 0.252 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000660542713 1189895393 /nfs/dbraw/zinc/89/53/93/1189895393.db2.gz GTUKUXRJNNRCQM-FGTMMUONSA-N 2 2 378.517 0.252 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660853173 1189956244 /nfs/dbraw/zinc/95/62/44/1189956244.db2.gz RJXKNHLJOBQRGM-SJORKVTESA-N 2 2 381.521 0.045 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660853173 1189956246 /nfs/dbraw/zinc/95/62/46/1189956246.db2.gz RJXKNHLJOBQRGM-SJORKVTESA-N 2 2 381.521 0.045 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)O1 ZINC000975779811 1189974193 /nfs/dbraw/zinc/97/41/93/1189974193.db2.gz MHBPSXGOLKOHEW-LTIDMASMSA-N 2 2 375.473 0.052 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)O1 ZINC000975779811 1189974196 /nfs/dbraw/zinc/97/41/96/1189974196.db2.gz MHBPSXGOLKOHEW-LTIDMASMSA-N 2 2 375.473 0.052 20 0 GCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662732213 1190012362 /nfs/dbraw/zinc/01/23/62/1190012362.db2.gz ORRSJPQGICALJH-JFIYKMOQSA-N 2 2 376.505 0.966 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOCC2(CCC2)C1 ZINC000410999237 1193720636 /nfs/dbraw/zinc/72/06/36/1193720636.db2.gz OCYHKFSBJUIEFW-UHFFFAOYSA-N 2 2 380.533 0.500 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOCC2(CCC2)C1 ZINC000410999237 1193720637 /nfs/dbraw/zinc/72/06/37/1193720637.db2.gz OCYHKFSBJUIEFW-UHFFFAOYSA-N 2 2 380.533 0.500 20 0 GCADLP C[C@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000246544959 1193723430 /nfs/dbraw/zinc/72/34/30/1193723430.db2.gz XTDBVOUKVUCYNT-ABSDTBQOSA-N 2 2 390.528 0.814 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCC1)CC2 ZINC000419230467 1193738280 /nfs/dbraw/zinc/73/82/80/1193738280.db2.gz IPZAPCWPWJZQAA-UHFFFAOYSA-N 2 2 390.484 0.176 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCC1)CC2 ZINC000419230467 1193738284 /nfs/dbraw/zinc/73/82/84/1193738284.db2.gz IPZAPCWPWJZQAA-UHFFFAOYSA-N 2 2 390.484 0.176 20 0 GCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2nccc(I)c2F)no1 ZINC001211757592 1193745244 /nfs/dbraw/zinc/74/52/44/1193745244.db2.gz GUZKQGIXLLFCOU-FSPLSTOPSA-N 2 2 375.145 0.889 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC2 ZINC000419239682 1193752962 /nfs/dbraw/zinc/75/29/62/1193752962.db2.gz QMGCQZXJYLNGQY-ZDUSSCGKSA-N 2 2 378.473 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC2 ZINC000419239682 1193752965 /nfs/dbraw/zinc/75/29/65/1193752965.db2.gz QMGCQZXJYLNGQY-ZDUSSCGKSA-N 2 2 378.473 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CCC[NH2+]CC1)CC2 ZINC000419241067 1193755449 /nfs/dbraw/zinc/75/54/49/1193755449.db2.gz RUTHZDDQTHOZGU-UHFFFAOYSA-N 2 2 390.484 0.000 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CCC[NH2+]CC1)CC2 ZINC000419241067 1193755452 /nfs/dbraw/zinc/75/54/52/1193755452.db2.gz RUTHZDDQTHOZGU-UHFFFAOYSA-N 2 2 390.484 0.000 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247875384 1193826866 /nfs/dbraw/zinc/82/68/66/1193826866.db2.gz YLJIQUUHKFXQLX-NCXUSEDFSA-N 2 2 381.565 0.906 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2)CC1 ZINC000664129881 1193857767 /nfs/dbraw/zinc/85/77/67/1193857767.db2.gz KAXBACFRKMPXOX-DLBZAZTESA-N 2 2 377.533 0.809 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2)CC1 ZINC000664129881 1193857772 /nfs/dbraw/zinc/85/77/72/1193857772.db2.gz KAXBACFRKMPXOX-DLBZAZTESA-N 2 2 377.533 0.809 20 0 GCADLP CCCCN(C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000576346386 1193860693 /nfs/dbraw/zinc/86/06/93/1193860693.db2.gz NMIMGJCHLHCAGC-AWEZNQCLSA-N 2 2 394.520 0.745 20 0 GCADLP CCCCN(C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000576346386 1193860700 /nfs/dbraw/zinc/86/07/00/1193860700.db2.gz NMIMGJCHLHCAGC-AWEZNQCLSA-N 2 2 394.520 0.745 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419383768 1193890566 /nfs/dbraw/zinc/89/05/66/1193890566.db2.gz FPCLZLDXILJSEI-ZACQAIPSSA-N 2 2 396.919 0.927 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419383768 1193890574 /nfs/dbraw/zinc/89/05/74/1193890574.db2.gz FPCLZLDXILJSEI-ZACQAIPSSA-N 2 2 396.919 0.927 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)c2ccc(Cl)cc2)C1 ZINC000419388411 1193898194 /nfs/dbraw/zinc/89/81/94/1193898194.db2.gz KMXLZQQORSBYSG-HZPDHXFCSA-N 2 2 394.903 0.826 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)c2ccc(Cl)cc2)C1 ZINC000419388411 1193898197 /nfs/dbraw/zinc/89/81/97/1193898197.db2.gz KMXLZQQORSBYSG-HZPDHXFCSA-N 2 2 394.903 0.826 20 0 GCADLP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)CC1 ZINC000549918087 1193899045 /nfs/dbraw/zinc/89/90/45/1193899045.db2.gz BPBKZJIKMOPEEX-UHFFFAOYSA-N 2 2 390.532 0.266 20 0 GCADLP C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000549918930 1193899851 /nfs/dbraw/zinc/89/98/51/1193899851.db2.gz SSYJRQWECSYPLA-IBGZPJMESA-N 2 2 398.511 0.494 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000419388974 1193900146 /nfs/dbraw/zinc/90/01/46/1193900146.db2.gz KUYIPRSWESLTEI-XKQJLSEDSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000419388974 1193900148 /nfs/dbraw/zinc/90/01/48/1193900148.db2.gz KUYIPRSWESLTEI-XKQJLSEDSA-N 2 2 394.903 0.648 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419391542 1193902874 /nfs/dbraw/zinc/90/28/74/1193902874.db2.gz NEKNLPYKQXAYAB-CVEARBPZSA-N 2 2 380.876 0.260 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419391542 1193902875 /nfs/dbraw/zinc/90/28/75/1193902875.db2.gz NEKNLPYKQXAYAB-CVEARBPZSA-N 2 2 380.876 0.260 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419392541 1193919519 /nfs/dbraw/zinc/91/95/19/1193919519.db2.gz OMPHVLJHRVXEMV-RRQGHBQHSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419392541 1193919520 /nfs/dbraw/zinc/91/95/20/1193919520.db2.gz OMPHVLJHRVXEMV-RRQGHBQHSA-N 2 2 394.903 0.648 20 0 GCADLP [NH3+][C@@H](C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CCOCC1 ZINC000261640653 1193921960 /nfs/dbraw/zinc/92/19/60/1193921960.db2.gz DJVBRSYDNJFQTQ-LJQANCHMSA-N 2 2 377.485 0.768 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000261765207 1193925221 /nfs/dbraw/zinc/92/52/21/1193925221.db2.gz RNDQWTHMQXYGDH-FQEVSTJZSA-N 2 2 388.512 0.640 20 0 GCADLP C[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000261982792 1193934655 /nfs/dbraw/zinc/93/46/55/1193934655.db2.gz CWRNETWWQNGPRF-FXAWDEMLSA-N 2 2 389.519 0.842 20 0 GCADLP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262464986 1193948494 /nfs/dbraw/zinc/94/84/94/1193948494.db2.gz NMYMTLQOVRGLMO-IBGZPJMESA-N 2 2 388.512 0.545 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H](C)C[NH3+])cc2)CC1 ZINC000262480546 1193949423 /nfs/dbraw/zinc/94/94/23/1193949423.db2.gz ZNVWQZHVXRRBRE-MRXNPFEDSA-N 2 2 376.501 0.483 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c2ccc(Cl)cc2)C1 ZINC000419395826 1193953166 /nfs/dbraw/zinc/95/31/66/1193953166.db2.gz USHNXSJUDRZQNJ-IKGGRYGDSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c2ccc(Cl)cc2)C1 ZINC000419395826 1193953169 /nfs/dbraw/zinc/95/31/69/1193953169.db2.gz USHNXSJUDRZQNJ-IKGGRYGDSA-N 2 2 394.903 0.778 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000549937138 1193955033 /nfs/dbraw/zinc/95/50/33/1193955033.db2.gz QFKONGPDEJCDEX-UHFFFAOYSA-N 2 2 382.549 0.936 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000549942890 1193967726 /nfs/dbraw/zinc/96/77/26/1193967726.db2.gz HZCJTCIWSGBETP-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@H+]1C ZINC000549942890 1193967729 /nfs/dbraw/zinc/96/77/29/1193967729.db2.gz HZCJTCIWSGBETP-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419396858 1193970876 /nfs/dbraw/zinc/97/08/76/1193970876.db2.gz WNQUBEAVDSMNHQ-HRCADAONSA-N 2 2 380.876 0.306 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419396858 1193970878 /nfs/dbraw/zinc/97/08/78/1193970878.db2.gz WNQUBEAVDSMNHQ-HRCADAONSA-N 2 2 380.876 0.306 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419397968 1194018767 /nfs/dbraw/zinc/01/87/67/1194018767.db2.gz YVXIGCPBOVGNMK-IAGOWNOFSA-N 2 2 396.919 0.944 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419397968 1194018769 /nfs/dbraw/zinc/01/87/69/1194018769.db2.gz YVXIGCPBOVGNMK-IAGOWNOFSA-N 2 2 396.919 0.944 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419399458 1194019522 /nfs/dbraw/zinc/01/95/22/1194019522.db2.gz KABNXLORQDIPIM-RDJZCZTQSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419399458 1194019525 /nfs/dbraw/zinc/01/95/25/1194019525.db2.gz KABNXLORQDIPIM-RDJZCZTQSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000419425447 1194026639 /nfs/dbraw/zinc/02/66/39/1194026639.db2.gz VRZGKCXWSCKGJQ-PKOBYXMFSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000419425447 1194026642 /nfs/dbraw/zinc/02/66/42/1194026642.db2.gz VRZGKCXWSCKGJQ-PKOBYXMFSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000419425447 1194026644 /nfs/dbraw/zinc/02/66/44/1194026644.db2.gz VRZGKCXWSCKGJQ-PKOBYXMFSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000419425447 1194026647 /nfs/dbraw/zinc/02/66/47/1194026647.db2.gz VRZGKCXWSCKGJQ-PKOBYXMFSA-N 2 2 387.528 0.302 20 0 GCADLP CN1CC[N@H+](CCCNC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](c2ccccc2)C1 ZINC000419414907 1194031565 /nfs/dbraw/zinc/03/15/65/1194031565.db2.gz HJKLFJSBWHCQPC-INIZCTEOSA-N 2 2 397.470 0.192 20 0 GCADLP CN1CC[N@@H+](CCCNC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](c2ccccc2)C1 ZINC000419414907 1194031569 /nfs/dbraw/zinc/03/15/69/1194031569.db2.gz HJKLFJSBWHCQPC-INIZCTEOSA-N 2 2 397.470 0.192 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419446503 1194036262 /nfs/dbraw/zinc/03/62/62/1194036262.db2.gz FVYBXDPSXXBAFH-OKZBNKHCSA-N 2 2 387.528 0.522 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419508961 1194048302 /nfs/dbraw/zinc/04/83/02/1194048302.db2.gz RTAZXNDXCBMOOU-QGZVFWFLSA-N 2 2 393.507 0.554 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419487015 1194048745 /nfs/dbraw/zinc/04/87/45/1194048745.db2.gz AQABUHAHBDBASP-INIZCTEOSA-N 2 2 391.491 0.180 20 0 GCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511880 1194050460 /nfs/dbraw/zinc/05/04/60/1194050460.db2.gz WJWQSZBTKPCQMP-KURKYZTESA-N 2 2 387.528 0.522 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512632 1194050960 /nfs/dbraw/zinc/05/09/60/1194050960.db2.gz XPGUOJDUDYCLLJ-KRWDZBQOSA-N 2 2 387.528 0.524 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513269 1194051536 /nfs/dbraw/zinc/05/15/36/1194051536.db2.gz YWQLNNDULUZDSM-KSZLIROESA-N 2 2 387.528 0.522 20 0 GCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCCCc1ccccc1 ZINC000501099692 1194056117 /nfs/dbraw/zinc/05/61/17/1194056117.db2.gz GCRWOSAQSUWTGM-UHFFFAOYSA-N 2 2 375.513 0.895 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC[NH2+]1 ZINC000419725378 1194087992 /nfs/dbraw/zinc/08/79/92/1194087992.db2.gz RYEWTVMHSMXLIV-CYBMUJFWSA-N 2 2 380.439 0.866 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419848191 1194113629 /nfs/dbraw/zinc/11/36/29/1194113629.db2.gz UCLPRFMNSFPILT-ZWKOTPCHSA-N 3 2 381.565 0.508 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419848191 1194113632 /nfs/dbraw/zinc/11/36/32/1194113632.db2.gz UCLPRFMNSFPILT-ZWKOTPCHSA-N 3 2 381.565 0.508 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@@H](C)O1 ZINC000419829263 1194115191 /nfs/dbraw/zinc/11/51/91/1194115191.db2.gz SRZXCPDWBFXDRN-GVDBMIGSSA-N 2 2 388.512 0.732 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419842303 1194118725 /nfs/dbraw/zinc/11/87/25/1194118725.db2.gz BGQQCMBTABZLJA-SFHVURJKSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419842303 1194118729 /nfs/dbraw/zinc/11/87/29/1194118729.db2.gz BGQQCMBTABZLJA-SFHVURJKSA-N 2 2 387.528 0.131 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419873224 1194128240 /nfs/dbraw/zinc/12/82/40/1194128240.db2.gz VCIHELHUJFJTJC-QRVBRYPASA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419873224 1194128244 /nfs/dbraw/zinc/12/82/44/1194128244.db2.gz VCIHELHUJFJTJC-QRVBRYPASA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419873222 1194128423 /nfs/dbraw/zinc/12/84/23/1194128423.db2.gz VCIHELHUJFJTJC-IPMKNSEASA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419873222 1194128426 /nfs/dbraw/zinc/12/84/26/1194128426.db2.gz VCIHELHUJFJTJC-IPMKNSEASA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419875568 1194129453 /nfs/dbraw/zinc/12/94/53/1194129453.db2.gz HFLWHXTUDYRFDN-NXHRZFHOSA-N 3 2 379.549 0.260 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419875568 1194129456 /nfs/dbraw/zinc/12/94/56/1194129456.db2.gz HFLWHXTUDYRFDN-NXHRZFHOSA-N 3 2 379.549 0.260 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000419887766 1194133729 /nfs/dbraw/zinc/13/37/29/1194133729.db2.gz LHYZHVDROKHSPJ-INIZCTEOSA-N 2 2 388.516 0.673 20 0 GCADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000419895867 1194135572 /nfs/dbraw/zinc/13/55/72/1194135572.db2.gz PVQBGNRYPUBIPO-OALUTQOASA-N 2 2 386.496 0.564 20 0 GCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419921352 1194139286 /nfs/dbraw/zinc/13/92/86/1194139286.db2.gz XWJKFQYNBOBWMB-MRXNPFEDSA-N 2 2 376.476 0.976 20 0 GCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419921352 1194139287 /nfs/dbraw/zinc/13/92/87/1194139287.db2.gz XWJKFQYNBOBWMB-MRXNPFEDSA-N 2 2 376.476 0.976 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419908626 1194141560 /nfs/dbraw/zinc/14/15/60/1194141560.db2.gz IXIWEDTUADXROO-RTBURBONSA-N 3 2 395.592 0.898 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419908626 1194141564 /nfs/dbraw/zinc/14/15/64/1194141564.db2.gz IXIWEDTUADXROO-RTBURBONSA-N 3 2 395.592 0.898 20 0 GCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000419939652 1194145998 /nfs/dbraw/zinc/14/59/98/1194145998.db2.gz RTBLMYXALWGCCY-QGZVFWFLSA-N 2 2 376.505 0.196 20 0 GCADLP CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000419939652 1194146001 /nfs/dbraw/zinc/14/60/01/1194146001.db2.gz RTBLMYXALWGCCY-QGZVFWFLSA-N 2 2 376.505 0.196 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419973240 1194150361 /nfs/dbraw/zinc/15/03/61/1194150361.db2.gz HKFCZDHZCGBDHC-UHOSZYNNSA-N 3 2 395.592 0.754 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419973240 1194150364 /nfs/dbraw/zinc/15/03/64/1194150364.db2.gz HKFCZDHZCGBDHC-UHOSZYNNSA-N 3 2 395.592 0.754 20 0 GCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000420007544 1194156678 /nfs/dbraw/zinc/15/66/78/1194156678.db2.gz ZLGRJXDUSRPVIB-QGZVFWFLSA-N 2 2 390.532 0.443 20 0 GCADLP CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000420007544 1194156681 /nfs/dbraw/zinc/15/66/81/1194156681.db2.gz ZLGRJXDUSRPVIB-QGZVFWFLSA-N 2 2 390.532 0.443 20 0 GCADLP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420024090 1194158306 /nfs/dbraw/zinc/15/83/06/1194158306.db2.gz AEIGIJWNTMSHTI-QRVBRYPASA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420024090 1194158307 /nfs/dbraw/zinc/15/83/07/1194158307.db2.gz AEIGIJWNTMSHTI-QRVBRYPASA-N 3 2 393.576 0.636 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)c1 ZINC000420023997 1194159136 /nfs/dbraw/zinc/15/91/36/1194159136.db2.gz BARYMVNMNZLXJT-AEFFLSMTSA-N 2 2 388.512 0.868 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420028298 1194159425 /nfs/dbraw/zinc/15/94/25/1194159425.db2.gz DDMCISIDDVFHAZ-SOLBZPMBSA-N 2 2 388.512 0.949 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420028298 1194159427 /nfs/dbraw/zinc/15/94/27/1194159427.db2.gz DDMCISIDDVFHAZ-SOLBZPMBSA-N 2 2 388.512 0.949 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000420015278 1194162051 /nfs/dbraw/zinc/16/20/51/1194162051.db2.gz LRUHTNOYCUGMIF-YJBOKZPZSA-N 2 2 376.501 1.000 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420019558 1194163103 /nfs/dbraw/zinc/16/31/03/1194163103.db2.gz RFJGANLNJUXOHW-GUDVDZBRSA-N 3 2 395.592 0.882 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420019558 1194163107 /nfs/dbraw/zinc/16/31/07/1194163107.db2.gz RFJGANLNJUXOHW-GUDVDZBRSA-N 3 2 395.592 0.882 20 0 GCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420056682 1194163923 /nfs/dbraw/zinc/16/39/23/1194163923.db2.gz IUEOOQTUVABUKT-GJZGRUSLSA-N 2 2 379.505 0.913 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000420174608 1194201097 /nfs/dbraw/zinc/20/10/97/1194201097.db2.gz YUTUIOQAXRDFQK-IKGGRYGDSA-N 2 2 380.533 0.450 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000420202076 1194203405 /nfs/dbraw/zinc/20/34/05/1194203405.db2.gz PBQSWEYZTOMDGS-QAPCUYQASA-N 2 2 390.484 0.005 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000420202078 1194203649 /nfs/dbraw/zinc/20/36/49/1194203649.db2.gz PBQSWEYZTOMDGS-YJBOKZPZSA-N 2 2 390.484 0.005 20 0 GCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501644615 1194218107 /nfs/dbraw/zinc/21/81/07/1194218107.db2.gz XQXHLOGDGWJUPQ-ROUUACIJSA-N 2 2 380.533 0.282 20 0 GCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501644615 1194218110 /nfs/dbraw/zinc/21/81/10/1194218110.db2.gz XQXHLOGDGWJUPQ-ROUUACIJSA-N 2 2 380.533 0.282 20 0 GCADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000420353246 1194223857 /nfs/dbraw/zinc/22/38/57/1194223857.db2.gz BLEXXXKBLMFFQS-IEBWSBKVSA-N 2 2 397.541 0.864 20 0 GCADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000420353246 1194223859 /nfs/dbraw/zinc/22/38/59/1194223859.db2.gz BLEXXXKBLMFFQS-IEBWSBKVSA-N 2 2 397.541 0.864 20 0 GCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420369562 1194224665 /nfs/dbraw/zinc/22/46/65/1194224665.db2.gz BTESTQXOUALLJU-NVXWUHKLSA-N 2 2 393.488 0.754 20 0 GCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000420361651 1194224712 /nfs/dbraw/zinc/22/47/12/1194224712.db2.gz MJNOKXXGPALMDA-KRWDZBQOSA-N 2 2 396.557 0.624 20 0 GCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NCCOc3ccc(F)cc3)C2)nn1 ZINC000420380833 1194225223 /nfs/dbraw/zinc/22/52/23/1194225223.db2.gz OKCNKJBRRYGMIM-INIZCTEOSA-N 2 2 376.436 0.708 20 0 GCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NCCOc3ccc(F)cc3)C2)nn1 ZINC000420380833 1194225226 /nfs/dbraw/zinc/22/52/26/1194225226.db2.gz OKCNKJBRRYGMIM-INIZCTEOSA-N 2 2 376.436 0.708 20 0 GCADLP CCCn1c(N)c(C(=O)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(=O)[nH]c1=O ZINC000420379112 1194225266 /nfs/dbraw/zinc/22/52/66/1194225266.db2.gz MPWDOCPDIMOOJP-CJNGLKHVSA-N 2 2 393.488 0.342 20 0 GCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983012202 1194292764 /nfs/dbraw/zinc/29/27/64/1194292764.db2.gz BVHQSFMHCXCLPQ-JOCBIADPSA-N 2 2 391.516 0.662 20 0 GCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983012202 1194292768 /nfs/dbraw/zinc/29/27/68/1194292768.db2.gz BVHQSFMHCXCLPQ-JOCBIADPSA-N 2 2 391.516 0.662 20 0 GCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983012202 1194292772 /nfs/dbraw/zinc/29/27/72/1194292772.db2.gz BVHQSFMHCXCLPQ-JOCBIADPSA-N 2 2 391.516 0.662 20 0 GCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983012202 1194292778 /nfs/dbraw/zinc/29/27/78/1194292778.db2.gz BVHQSFMHCXCLPQ-JOCBIADPSA-N 2 2 391.516 0.662 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000421133316 1194298595 /nfs/dbraw/zinc/29/85/95/1194298595.db2.gz VNJQMQHKIUAVOA-IXDOHACOSA-N 2 2 382.549 0.932 20 0 GCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000421133316 1194298600 /nfs/dbraw/zinc/29/86/00/1194298600.db2.gz VNJQMQHKIUAVOA-IXDOHACOSA-N 2 2 382.549 0.932 20 0 GCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000421133316 1194298605 /nfs/dbraw/zinc/29/86/05/1194298605.db2.gz VNJQMQHKIUAVOA-IXDOHACOSA-N 2 2 382.549 0.932 20 0 GCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000421133316 1194298609 /nfs/dbraw/zinc/29/86/09/1194298609.db2.gz VNJQMQHKIUAVOA-IXDOHACOSA-N 2 2 382.549 0.932 20 0 GCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000502854270 1194362841 /nfs/dbraw/zinc/36/28/41/1194362841.db2.gz DCSLZHQPDBUPLN-MOPGFXCFSA-N 2 2 388.512 0.844 20 0 GCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4OCC[NH2+][C@@H]4C3)CC2)cc1 ZINC000584236668 1194370554 /nfs/dbraw/zinc/37/05/54/1194370554.db2.gz RQOSGCWURVXWPA-UXHICEINSA-N 2 2 388.512 0.402 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3COCCN3CC(F)F)CC2)CC1 ZINC000422015002 1194376106 /nfs/dbraw/zinc/37/61/06/1194376106.db2.gz GHACXDITRHJYSG-QGZVFWFLSA-N 2 2 388.503 0.971 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3COCCN3CC(F)F)CC2)CC1 ZINC000422015002 1194376108 /nfs/dbraw/zinc/37/61/08/1194376108.db2.gz GHACXDITRHJYSG-QGZVFWFLSA-N 2 2 388.503 0.971 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](NC(=O)COC)C(C)C)CC2)CC1 ZINC000422029561 1194377950 /nfs/dbraw/zinc/37/79/50/1194377950.db2.gz ZZXVVPSVDIEJAK-IBGZPJMESA-N 2 2 382.549 0.792 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](NC(=O)COC)C(C)C)CC2)CC1 ZINC000422029561 1194377955 /nfs/dbraw/zinc/37/79/55/1194377955.db2.gz ZZXVVPSVDIEJAK-IBGZPJMESA-N 2 2 382.549 0.792 20 0 GCADLP COC1(C)CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000271726158 1194407714 /nfs/dbraw/zinc/40/77/14/1194407714.db2.gz MDRKXQUHYHPJTL-UHFFFAOYSA-N 2 2 387.488 0.513 20 0 GCADLP CN(C(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652729062 1194514885 /nfs/dbraw/zinc/51/48/85/1194514885.db2.gz OXLCFGXUDSZGAM-SFHVURJKSA-N 3 2 379.549 0.201 20 0 GCADLP CN(C(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652729062 1194514888 /nfs/dbraw/zinc/51/48/88/1194514888.db2.gz OXLCFGXUDSZGAM-SFHVURJKSA-N 3 2 379.549 0.201 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000422282581 1194600654 /nfs/dbraw/zinc/60/06/54/1194600654.db2.gz ZHKJJNKKVNAVKZ-QGZVFWFLSA-N 2 2 398.548 0.029 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000422321625 1194613575 /nfs/dbraw/zinc/61/35/75/1194613575.db2.gz XNTDBMSXUGAOCN-HKUYNNGSSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000422321625 1194613578 /nfs/dbraw/zinc/61/35/78/1194613578.db2.gz XNTDBMSXUGAOCN-HKUYNNGSSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000422321625 1194613581 /nfs/dbraw/zinc/61/35/81/1194613581.db2.gz XNTDBMSXUGAOCN-HKUYNNGSSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000422321625 1194613584 /nfs/dbraw/zinc/61/35/84/1194613584.db2.gz XNTDBMSXUGAOCN-HKUYNNGSSA-N 2 2 387.528 0.081 20 0 GCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000422346980 1194621833 /nfs/dbraw/zinc/62/18/33/1194621833.db2.gz CMWGWTFZZLBDKZ-GOSISDBHSA-N 2 2 390.528 0.804 20 0 GCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000422346980 1194621834 /nfs/dbraw/zinc/62/18/34/1194621834.db2.gz CMWGWTFZZLBDKZ-GOSISDBHSA-N 2 2 390.528 0.804 20 0 GCADLP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422346980 1194621838 /nfs/dbraw/zinc/62/18/38/1194621838.db2.gz CMWGWTFZZLBDKZ-GOSISDBHSA-N 2 2 390.528 0.804 20 0 GCADLP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422346980 1194621843 /nfs/dbraw/zinc/62/18/43/1194621843.db2.gz CMWGWTFZZLBDKZ-GOSISDBHSA-N 2 2 390.528 0.804 20 0 GCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000422346981 1194622036 /nfs/dbraw/zinc/62/20/36/1194622036.db2.gz CMWGWTFZZLBDKZ-SFHVURJKSA-N 2 2 390.528 0.804 20 0 GCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000422346981 1194622040 /nfs/dbraw/zinc/62/20/40/1194622040.db2.gz CMWGWTFZZLBDKZ-SFHVURJKSA-N 2 2 390.528 0.804 20 0 GCADLP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422346981 1194622042 /nfs/dbraw/zinc/62/20/42/1194622042.db2.gz CMWGWTFZZLBDKZ-SFHVURJKSA-N 2 2 390.528 0.804 20 0 GCADLP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422346981 1194622045 /nfs/dbraw/zinc/62/20/45/1194622045.db2.gz CMWGWTFZZLBDKZ-SFHVURJKSA-N 2 2 390.528 0.804 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000422374132 1194625947 /nfs/dbraw/zinc/62/59/47/1194625947.db2.gz FGHANRRBUMAARI-KRWDZBQOSA-N 2 2 398.548 0.173 20 0 GCADLP Cc1ccc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1C ZINC000422468777 1194646332 /nfs/dbraw/zinc/64/63/32/1194646332.db2.gz BATOWTLSFKPWII-UHFFFAOYSA-N 2 2 375.517 0.799 20 0 GCADLP Cc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1C ZINC000422468777 1194646336 /nfs/dbraw/zinc/64/63/36/1194646336.db2.gz BATOWTLSFKPWII-UHFFFAOYSA-N 2 2 375.517 0.799 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc(C)[nH+]1 ZINC000422586146 1194669104 /nfs/dbraw/zinc/66/91/04/1194669104.db2.gz FEEGJTSVQNFKJD-QGZVFWFLSA-N 2 2 387.528 0.942 20 0 GCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1C[NH3+] ZINC000422633882 1194679162 /nfs/dbraw/zinc/67/91/62/1194679162.db2.gz IYSWEPJWHGLUNK-NFAWXSAZSA-N 2 2 380.514 0.528 20 0 GCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1C[NH3+] ZINC000422633882 1194679164 /nfs/dbraw/zinc/67/91/64/1194679164.db2.gz IYSWEPJWHGLUNK-NFAWXSAZSA-N 2 2 380.514 0.528 20 0 GCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000422760028 1194695723 /nfs/dbraw/zinc/69/57/23/1194695723.db2.gz LKQDISHYGAFWGN-IEBWSBKVSA-N 2 2 377.485 0.781 20 0 GCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422844385 1194704102 /nfs/dbraw/zinc/70/41/02/1194704102.db2.gz LPKAFRJODIFSSS-CRAIPNDOSA-N 2 2 375.473 0.004 20 0 GCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422844387 1194704495 /nfs/dbraw/zinc/70/44/95/1194704495.db2.gz LPKAFRJODIFSSS-QAPCUYQASA-N 2 2 375.473 0.004 20 0 GCADLP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880827 1194704752 /nfs/dbraw/zinc/70/47/52/1194704752.db2.gz OVKPAVYEIJCQOU-DLBZAZTESA-N 3 2 382.549 0.840 20 0 GCADLP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880827 1194704756 /nfs/dbraw/zinc/70/47/56/1194704756.db2.gz OVKPAVYEIJCQOU-DLBZAZTESA-N 3 2 382.549 0.840 20 0 GCADLP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880830 1194704795 /nfs/dbraw/zinc/70/47/95/1194704795.db2.gz OVKPAVYEIJCQOU-SJORKVTESA-N 3 2 382.549 0.840 20 0 GCADLP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880830 1194704797 /nfs/dbraw/zinc/70/47/97/1194704797.db2.gz OVKPAVYEIJCQOU-SJORKVTESA-N 3 2 382.549 0.840 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000414705597 1194710350 /nfs/dbraw/zinc/71/03/50/1194710350.db2.gz KRYMIJWEICWAII-UHFFFAOYSA-N 2 2 389.500 0.073 20 0 GCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985993 1194715587 /nfs/dbraw/zinc/71/55/87/1194715587.db2.gz GFZFCIPOZSPLRX-KURKYZTESA-N 2 2 390.532 0.639 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000503814128 1194718784 /nfs/dbraw/zinc/71/87/84/1194718784.db2.gz KIGXUPCQQGCLSH-GVDBMIGSSA-N 2 2 380.533 0.401 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000503814128 1194718786 /nfs/dbraw/zinc/71/87/86/1194718786.db2.gz KIGXUPCQQGCLSH-GVDBMIGSSA-N 2 2 380.533 0.401 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000503814135 1194718842 /nfs/dbraw/zinc/71/88/42/1194718842.db2.gz KIGXUPCQQGCLSH-ZACQAIPSSA-N 2 2 380.533 0.401 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000503814135 1194718845 /nfs/dbraw/zinc/71/88/45/1194718845.db2.gz KIGXUPCQQGCLSH-ZACQAIPSSA-N 2 2 380.533 0.401 20 0 GCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000423032703 1194720251 /nfs/dbraw/zinc/72/02/51/1194720251.db2.gz NAEHXSHMZLBZJH-MRXNPFEDSA-N 2 2 388.516 0.625 20 0 GCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000423030682 1194720418 /nfs/dbraw/zinc/72/04/18/1194720418.db2.gz UCQQXHURFFOBQL-LJQANCHMSA-N 2 2 388.512 0.858 20 0 GCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000423030682 1194720420 /nfs/dbraw/zinc/72/04/20/1194720420.db2.gz UCQQXHURFFOBQL-LJQANCHMSA-N 2 2 388.512 0.858 20 0 GCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000423056901 1194722414 /nfs/dbraw/zinc/72/24/14/1194722414.db2.gz ZAAUVMZLPPQSOS-KRWDZBQOSA-N 2 2 394.903 0.560 20 0 GCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000423056901 1194722417 /nfs/dbraw/zinc/72/24/17/1194722417.db2.gz ZAAUVMZLPPQSOS-KRWDZBQOSA-N 2 2 394.903 0.560 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@H](C)[NH2+]1 ZINC000423182797 1194733674 /nfs/dbraw/zinc/73/36/74/1194733674.db2.gz FNEKCNBIVLFCJJ-OKILXGFUSA-N 2 2 394.438 0.308 20 0 GCADLP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000414727756 1194743642 /nfs/dbraw/zinc/74/36/42/1194743642.db2.gz BNYPBLLZYPMESR-MRXNPFEDSA-N 2 2 380.514 0.190 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000423256037 1194744104 /nfs/dbraw/zinc/74/41/04/1194744104.db2.gz DGCIXRPQFXUXLB-INIZCTEOSA-N 2 2 376.501 0.968 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423301201 1194748136 /nfs/dbraw/zinc/74/81/36/1194748136.db2.gz STTCZGSOAFEJRZ-AZUAARDMSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423301201 1194748138 /nfs/dbraw/zinc/74/81/38/1194748138.db2.gz STTCZGSOAFEJRZ-AZUAARDMSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423300021 1194748190 /nfs/dbraw/zinc/74/81/90/1194748190.db2.gz QVSMOODUUCYLJU-UYAOXDASSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423300021 1194748191 /nfs/dbraw/zinc/74/81/91/1194748191.db2.gz QVSMOODUUCYLJU-UYAOXDASSA-N 2 2 399.539 0.225 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423368464 1194751870 /nfs/dbraw/zinc/75/18/70/1194751870.db2.gz NFROASFWYMERCJ-MSOLQXFVSA-N 2 2 380.533 0.404 20 0 GCADLP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423530537 1194761593 /nfs/dbraw/zinc/76/15/93/1194761593.db2.gz PPGBOLQLGSYKTK-QZTJIDSGSA-N 3 2 379.549 0.214 20 0 GCADLP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423530537 1194761594 /nfs/dbraw/zinc/76/15/94/1194761594.db2.gz PPGBOLQLGSYKTK-QZTJIDSGSA-N 3 2 379.549 0.214 20 0 GCADLP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)[C@H](C[NH3+])C1 ZINC000423629551 1194775422 /nfs/dbraw/zinc/77/54/22/1194775422.db2.gz BKSRDLHGRCNYHZ-OALUTQOASA-N 2 2 388.512 0.604 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423627770 1194778513 /nfs/dbraw/zinc/77/85/13/1194778513.db2.gz JAXUCAOLUXEKBJ-ROUUACIJSA-N 2 2 387.528 0.476 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000423665308 1194781455 /nfs/dbraw/zinc/78/14/55/1194781455.db2.gz HEDHCDZTESMMKH-GUDVDZBRSA-N 2 2 388.512 0.336 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000423665308 1194781456 /nfs/dbraw/zinc/78/14/56/1194781456.db2.gz HEDHCDZTESMMKH-GUDVDZBRSA-N 2 2 388.512 0.336 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000423709866 1194787180 /nfs/dbraw/zinc/78/71/80/1194787180.db2.gz JMLFGVPNQLIKNO-SUMDDJOVSA-N 2 2 386.496 0.721 20 0 GCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000423758306 1194792218 /nfs/dbraw/zinc/79/22/18/1194792218.db2.gz MZFVZXBNSRLNPG-BRWVUGGUSA-N 2 2 388.516 0.786 20 0 GCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000423758306 1194792220 /nfs/dbraw/zinc/79/22/20/1194792220.db2.gz MZFVZXBNSRLNPG-BRWVUGGUSA-N 2 2 388.516 0.786 20 0 GCADLP CC(C)[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000423780313 1194793186 /nfs/dbraw/zinc/79/31/86/1194793186.db2.gz VXZKZXMIRVVRIC-YJBOKZPZSA-N 2 2 376.505 0.581 20 0 GCADLP CC(C)[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@H](C)[NH3+] ZINC000423780313 1194793187 /nfs/dbraw/zinc/79/31/87/1194793187.db2.gz VXZKZXMIRVVRIC-YJBOKZPZSA-N 2 2 376.505 0.581 20 0 GCADLP CCCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000424283184 1194808197 /nfs/dbraw/zinc/80/81/97/1194808197.db2.gz BARBQCDICKDKPT-ZIAGYGMSSA-N 2 2 394.520 0.934 20 0 GCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000424339067 1194809118 /nfs/dbraw/zinc/80/91/18/1194809118.db2.gz VMPRPEPEKOZZRZ-IAGOWNOFSA-N 2 2 398.504 0.518 20 0 GCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424442388 1194811707 /nfs/dbraw/zinc/81/17/07/1194811707.db2.gz AAGCXOWMDRFYLZ-AWEZNQCLSA-N 2 2 376.457 0.488 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@H](C)C1 ZINC000424463557 1194813739 /nfs/dbraw/zinc/81/37/39/1194813739.db2.gz HPGVOMBBNQOLPL-CQSZACIVSA-N 2 2 376.457 0.488 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@H](C)C1 ZINC000424463557 1194813741 /nfs/dbraw/zinc/81/37/41/1194813741.db2.gz HPGVOMBBNQOLPL-CQSZACIVSA-N 2 2 376.457 0.488 20 0 GCADLP C[NH+]1CCN(C(=O)CCN2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000513899496 1194840143 /nfs/dbraw/zinc/84/01/43/1194840143.db2.gz DPOHPCBUWVFOIB-UHFFFAOYSA-N 2 2 380.455 0.737 20 0 GCADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)CC1 ZINC000434639430 1194857640 /nfs/dbraw/zinc/85/76/40/1194857640.db2.gz VXBZPXOBUWPNNK-IBGZPJMESA-N 2 2 389.544 0.446 20 0 GCADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)CC1 ZINC000434639430 1194857641 /nfs/dbraw/zinc/85/76/41/1194857641.db2.gz VXBZPXOBUWPNNK-IBGZPJMESA-N 2 2 389.544 0.446 20 0 GCADLP CC[NH+]1CCN(c2ccccc2CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000434639430 1194857643 /nfs/dbraw/zinc/85/76/43/1194857643.db2.gz VXBZPXOBUWPNNK-IBGZPJMESA-N 2 2 389.544 0.446 20 0 GCADLP CC[NH+]1CCN(c2ccccc2CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000434639430 1194857645 /nfs/dbraw/zinc/85/76/45/1194857645.db2.gz VXBZPXOBUWPNNK-IBGZPJMESA-N 2 2 389.544 0.446 20 0 GCADLP C[C@@H](CN1CCOCC1)[NH+](C)CC1(C[N@@H+](C)[C@@H](C)CN2CCOCC2)COC1 ZINC000434715351 1194862134 /nfs/dbraw/zinc/86/21/34/1194862134.db2.gz XWZNBMAUJBEDNJ-PMACEKPBSA-N 2 2 398.592 0.308 20 0 GCADLP C[C@@H](CN1CCOCC1)[NH+](C)CC1(C[N@H+](C)[C@@H](C)CN2CCOCC2)COC1 ZINC000434715351 1194862137 /nfs/dbraw/zinc/86/21/37/1194862137.db2.gz XWZNBMAUJBEDNJ-PMACEKPBSA-N 2 2 398.592 0.308 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000434795506 1194870440 /nfs/dbraw/zinc/87/04/40/1194870440.db2.gz QAJHROOQKOGFBX-QGZVFWFLSA-N 2 2 377.489 0.076 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000434795506 1194870442 /nfs/dbraw/zinc/87/04/42/1194870442.db2.gz QAJHROOQKOGFBX-QGZVFWFLSA-N 2 2 377.489 0.076 20 0 GCADLP C[NH+]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000514490289 1194878222 /nfs/dbraw/zinc/87/82/22/1194878222.db2.gz PAEGCIVCPRHQAU-UHFFFAOYSA-N 2 2 383.518 0.119 20 0 GCADLP C[NH+]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000514490289 1194878223 /nfs/dbraw/zinc/87/82/23/1194878223.db2.gz PAEGCIVCPRHQAU-UHFFFAOYSA-N 2 2 383.518 0.119 20 0 GCADLP C[NH+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCC[N@H+](C)CC3)c[nH]2)CC1 ZINC000514490289 1194878227 /nfs/dbraw/zinc/87/82/27/1194878227.db2.gz PAEGCIVCPRHQAU-UHFFFAOYSA-N 2 2 383.518 0.119 20 0 GCADLP C[NH+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c[nH]2)CC1 ZINC000514490289 1194878230 /nfs/dbraw/zinc/87/82/30/1194878230.db2.gz PAEGCIVCPRHQAU-UHFFFAOYSA-N 2 2 383.518 0.119 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](CCOC)C3)CC2)CC1 ZINC000514787640 1194909140 /nfs/dbraw/zinc/90/91/40/1194909140.db2.gz UABRJHVHAYBZCK-GOSISDBHSA-N 3 2 381.565 0.909 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](CCOC)C3)CC2)CC1 ZINC000514787640 1194909142 /nfs/dbraw/zinc/90/91/42/1194909142.db2.gz UABRJHVHAYBZCK-GOSISDBHSA-N 3 2 381.565 0.909 20 0 GCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)CC2)CC1 ZINC000514787640 1194909145 /nfs/dbraw/zinc/90/91/45/1194909145.db2.gz UABRJHVHAYBZCK-GOSISDBHSA-N 3 2 381.565 0.909 20 0 GCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)CC2)CC1 ZINC000514787640 1194909147 /nfs/dbraw/zinc/90/91/47/1194909147.db2.gz UABRJHVHAYBZCK-GOSISDBHSA-N 3 2 381.565 0.909 20 0 GCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000435307682 1194915050 /nfs/dbraw/zinc/91/50/50/1194915050.db2.gz RFQVZNPCFGXULP-IRXDYDNUSA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000435307682 1194915053 /nfs/dbraw/zinc/91/50/53/1194915053.db2.gz RFQVZNPCFGXULP-IRXDYDNUSA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000435307682 1194915054 /nfs/dbraw/zinc/91/50/54/1194915054.db2.gz RFQVZNPCFGXULP-IRXDYDNUSA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000435307682 1194915057 /nfs/dbraw/zinc/91/50/57/1194915057.db2.gz RFQVZNPCFGXULP-IRXDYDNUSA-N 2 2 383.537 0.324 20 0 GCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000514860279 1194921736 /nfs/dbraw/zinc/92/17/36/1194921736.db2.gz MXSCKAMMKUWHGS-RBUKOAKNSA-N 2 2 384.484 0.801 20 0 GCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000514860279 1194921738 /nfs/dbraw/zinc/92/17/38/1194921738.db2.gz MXSCKAMMKUWHGS-RBUKOAKNSA-N 2 2 384.484 0.801 20 0 GCADLP C[N@@H+]1CCN(CCNC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000514881488 1194924380 /nfs/dbraw/zinc/92/43/80/1194924380.db2.gz PGIZWJCRBJZIJM-UHFFFAOYSA-N 2 2 398.511 0.631 20 0 GCADLP C[N@H+]1CCN(CCNC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000514881488 1194924382 /nfs/dbraw/zinc/92/43/82/1194924382.db2.gz PGIZWJCRBJZIJM-UHFFFAOYSA-N 2 2 398.511 0.631 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515049812 1194941769 /nfs/dbraw/zinc/94/17/69/1194941769.db2.gz UBMJJXQQKZTDGL-LJQANCHMSA-N 2 2 387.528 0.525 20 0 GCADLP COc1ccccc1CCNC(=O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000435735719 1194961472 /nfs/dbraw/zinc/96/14/72/1194961472.db2.gz PLWYVZHRERXKEH-UHFFFAOYSA-N 2 2 398.511 0.686 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000436057401 1194982563 /nfs/dbraw/zinc/98/25/63/1194982563.db2.gz VTIZYZITFZZNJM-ZDUSSCGKSA-N 2 2 381.502 0.393 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000436057401 1194982564 /nfs/dbraw/zinc/98/25/64/1194982564.db2.gz VTIZYZITFZZNJM-ZDUSSCGKSA-N 2 2 381.502 0.393 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000436060235 1194983118 /nfs/dbraw/zinc/98/31/18/1194983118.db2.gz DPOIEOPMUDWJKA-MRXNPFEDSA-N 2 2 375.473 0.332 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000436060235 1194983120 /nfs/dbraw/zinc/98/31/20/1194983120.db2.gz DPOIEOPMUDWJKA-MRXNPFEDSA-N 2 2 375.473 0.332 20 0 GCADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061690 1194983461 /nfs/dbraw/zinc/98/34/61/1194983461.db2.gz HXLLSMQWGFEJFM-HNNXBMFYSA-N 2 2 391.472 0.663 20 0 GCADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061690 1194983462 /nfs/dbraw/zinc/98/34/62/1194983462.db2.gz HXLLSMQWGFEJFM-HNNXBMFYSA-N 2 2 391.472 0.663 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2nsnc21 ZINC000436068873 1194983974 /nfs/dbraw/zinc/98/39/74/1194983974.db2.gz XPLPECVXISMHGM-GFCCVEGCSA-N 2 2 376.486 0.949 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc2nsnc21 ZINC000436068873 1194983975 /nfs/dbraw/zinc/98/39/75/1194983975.db2.gz XPLPECVXISMHGM-GFCCVEGCSA-N 2 2 376.486 0.949 20 0 GCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1-n1ccnn1 ZINC000286213721 1194997760 /nfs/dbraw/zinc/99/77/60/1194997760.db2.gz RZCRBYHENSSQOH-SJORKVTESA-N 2 2 384.484 0.851 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CC1 ZINC000425528382 1194999393 /nfs/dbraw/zinc/99/93/93/1194999393.db2.gz QOQLBENKEIYWJD-XHSDSOJGSA-N 2 2 399.499 0.105 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CC1 ZINC000425528382 1194999397 /nfs/dbraw/zinc/99/93/97/1194999397.db2.gz QOQLBENKEIYWJD-XHSDSOJGSA-N 2 2 399.499 0.105 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000286631988 1195008984 /nfs/dbraw/zinc/00/89/84/1195008984.db2.gz PWRLAMQYLXMXBJ-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000286631988 1195008990 /nfs/dbraw/zinc/00/89/90/1195008990.db2.gz PWRLAMQYLXMXBJ-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000286631988 1195008996 /nfs/dbraw/zinc/00/89/96/1195008996.db2.gz PWRLAMQYLXMXBJ-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000286631988 1195008999 /nfs/dbraw/zinc/00/89/99/1195008999.db2.gz PWRLAMQYLXMXBJ-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)N3CCN(Cc4ccccc4)CC3)C2)nn1 ZINC000516476837 1195056302 /nfs/dbraw/zinc/05/63/02/1195056302.db2.gz YCUCJZUURSCMJT-FQEVSTJZSA-N 2 2 397.527 0.718 20 0 GCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)N3CCN(Cc4ccccc4)CC3)C2)nn1 ZINC000516476837 1195056307 /nfs/dbraw/zinc/05/63/07/1195056307.db2.gz YCUCJZUURSCMJT-FQEVSTJZSA-N 2 2 397.527 0.718 20 0 GCADLP CNC(=O)c1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000437447548 1195110099 /nfs/dbraw/zinc/11/00/99/1195110099.db2.gz NEOZSMKOEWFVGL-UHFFFAOYSA-N 2 2 389.500 0.469 20 0 GCADLP CNC(=O)c1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000437447548 1195110102 /nfs/dbraw/zinc/11/01/02/1195110102.db2.gz NEOZSMKOEWFVGL-UHFFFAOYSA-N 2 2 389.500 0.469 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000516915420 1195112266 /nfs/dbraw/zinc/11/22/66/1195112266.db2.gz HMMBJQCCAGNAHC-MSOLQXFVSA-N 2 2 382.549 0.840 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000517250360 1195165160 /nfs/dbraw/zinc/16/51/60/1195165160.db2.gz UNWVPYZXHLTJBG-GUDVDZBRSA-N 2 2 394.560 0.935 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000517250360 1195165162 /nfs/dbraw/zinc/16/51/62/1195165162.db2.gz UNWVPYZXHLTJBG-GUDVDZBRSA-N 2 2 394.560 0.935 20 0 GCADLP C[NH+]1CCN([C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407251 1195180270 /nfs/dbraw/zinc/18/02/70/1195180270.db2.gz SMZVJMAQSIXRTR-RTBURBONSA-N 2 2 387.528 0.431 20 0 GCADLP C[NH+]1CCN([C@@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407251 1195180271 /nfs/dbraw/zinc/18/02/71/1195180271.db2.gz SMZVJMAQSIXRTR-RTBURBONSA-N 2 2 387.528 0.431 20 0 GCADLP COC(=O)[C@H](O)C1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000437998603 1195180817 /nfs/dbraw/zinc/18/08/17/1195180817.db2.gz JFXODAOJQOYLGR-GOSISDBHSA-N 2 2 396.532 0.501 20 0 GCADLP O=C(CC[NH+]1CCC(N2CN=NC2=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000517582834 1195195491 /nfs/dbraw/zinc/19/54/91/1195195491.db2.gz ABZWKRIZOARNOQ-UHFFFAOYSA-N 2 2 385.472 0.755 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000414926368 1195203220 /nfs/dbraw/zinc/20/32/20/1195203220.db2.gz KDHPGYHMPDVPMD-UHFFFAOYSA-N 2 2 390.484 0.676 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)CC1 ZINC000550000604 1195205719 /nfs/dbraw/zinc/20/57/19/1195205719.db2.gz MJCQFPRXHIRQHP-MRXNPFEDSA-N 2 2 392.500 0.587 20 0 GCADLP CCCCN(C(=O)C[NH2+]CC1([NH3+])CCC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000517742765 1195212061 /nfs/dbraw/zinc/21/20/61/1195212061.db2.gz KUWTUDRRNPEEME-UHFFFAOYSA-N 2 2 380.493 0.545 20 0 GCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC000426100574 1195233816 /nfs/dbraw/zinc/23/38/16/1195233816.db2.gz FLYBIMLEHOIDCW-ZDUSSCGKSA-N 2 2 394.438 0.214 20 0 GCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC000426100574 1195233820 /nfs/dbraw/zinc/23/38/20/1195233820.db2.gz FLYBIMLEHOIDCW-ZDUSSCGKSA-N 2 2 394.438 0.214 20 0 GCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000653374916 1195270744 /nfs/dbraw/zinc/27/07/44/1195270744.db2.gz SELXFRXEVGKHPD-LJQANCHMSA-N 2 2 390.528 0.456 20 0 GCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000653374916 1195270748 /nfs/dbraw/zinc/27/07/48/1195270748.db2.gz SELXFRXEVGKHPD-LJQANCHMSA-N 2 2 390.528 0.456 20 0 GCADLP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000653374916 1195270751 /nfs/dbraw/zinc/27/07/51/1195270751.db2.gz SELXFRXEVGKHPD-LJQANCHMSA-N 2 2 390.528 0.456 20 0 GCADLP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000653374916 1195270754 /nfs/dbraw/zinc/27/07/54/1195270754.db2.gz SELXFRXEVGKHPD-LJQANCHMSA-N 2 2 390.528 0.456 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000518235629 1195271332 /nfs/dbraw/zinc/27/13/32/1195271332.db2.gz BDFIZZMXWWBIPA-RBUKOAKNSA-N 2 2 394.560 0.936 20 0 GCADLP CCC(CC)(C[NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000518377034 1195285825 /nfs/dbraw/zinc/28/58/25/1195285825.db2.gz NKXOERAHZDYJBB-UHFFFAOYSA-N 2 2 376.505 0.727 20 0 GCADLP CCC(CC)(C[NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000518377034 1195285826 /nfs/dbraw/zinc/28/58/26/1195285826.db2.gz NKXOERAHZDYJBB-UHFFFAOYSA-N 2 2 376.505 0.727 20 0 GCADLP CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000439639448 1195338257 /nfs/dbraw/zinc/33/82/57/1195338257.db2.gz KRXBDPWIFDJFLD-QGZVFWFLSA-N 2 2 383.537 0.291 20 0 GCADLP CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000439639448 1195338261 /nfs/dbraw/zinc/33/82/61/1195338261.db2.gz KRXBDPWIFDJFLD-QGZVFWFLSA-N 2 2 383.537 0.291 20 0 GCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439682811 1195341336 /nfs/dbraw/zinc/34/13/36/1195341336.db2.gz GDLUHGAYEUICEE-RTBURBONSA-N 2 2 394.560 0.794 20 0 GCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439682811 1195341340 /nfs/dbraw/zinc/34/13/40/1195341340.db2.gz GDLUHGAYEUICEE-RTBURBONSA-N 2 2 394.560 0.794 20 0 GCADLP CCn1cc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](OCC[NH+](CC)CC)C3)C2=O)cn1 ZINC000473644000 1195427516 /nfs/dbraw/zinc/42/75/16/1195427516.db2.gz BNVOWEFSWGEYCZ-SJORKVTESA-N 2 2 377.489 0.968 20 0 GCADLP CCn1cc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](OCC[NH+](CC)CC)C3)C2=O)cn1 ZINC000473644000 1195427519 /nfs/dbraw/zinc/42/75/19/1195427519.db2.gz BNVOWEFSWGEYCZ-SJORKVTESA-N 2 2 377.489 0.968 20 0 GCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000550267341 1195473566 /nfs/dbraw/zinc/47/35/66/1195473566.db2.gz SDPNHEXKTVJHJC-QGZVFWFLSA-N 2 2 392.500 0.253 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550278589 1195482942 /nfs/dbraw/zinc/48/29/42/1195482942.db2.gz XAFAFBHUMWKVFU-ROUUACIJSA-N 2 2 382.549 0.840 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550278589 1195482943 /nfs/dbraw/zinc/48/29/43/1195482943.db2.gz XAFAFBHUMWKVFU-ROUUACIJSA-N 2 2 382.549 0.840 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3C[NH2+]CCC3(F)F)ccn2)CC1 ZINC000519589189 1195493569 /nfs/dbraw/zinc/49/35/69/1195493569.db2.gz XDZXKGURYJLSOP-CQSZACIVSA-N 2 2 382.415 0.588 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000427038462 1195503001 /nfs/dbraw/zinc/50/30/01/1195503001.db2.gz NEMXSCFLQZCWSV-HNNXBMFYSA-N 2 2 378.473 0.091 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)n2)CC1 ZINC000427333400 1195528456 /nfs/dbraw/zinc/52/84/56/1195528456.db2.gz YSJBUJWOAWCNKL-OAHLLOKOSA-N 2 2 397.483 0.878 20 0 GCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000507714592 1195549862 /nfs/dbraw/zinc/54/98/62/1195549862.db2.gz BYRPHQMLYBJKBX-UHFFFAOYSA-N 2 2 389.500 0.600 20 0 GCADLP COC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000440553664 1195563429 /nfs/dbraw/zinc/56/34/29/1195563429.db2.gz HIOZDVJPMIWNNZ-IBGZPJMESA-N 2 2 378.473 0.678 20 0 GCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000520227571 1195608384 /nfs/dbraw/zinc/60/83/84/1195608384.db2.gz OYRUZASHZKFYKQ-GJZGRUSLSA-N 2 2 378.439 0.582 20 0 GCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000520227571 1195608387 /nfs/dbraw/zinc/60/83/87/1195608387.db2.gz OYRUZASHZKFYKQ-GJZGRUSLSA-N 2 2 378.439 0.582 20 0 GCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000473924569 1195640240 /nfs/dbraw/zinc/64/02/40/1195640240.db2.gz PFERSLORTJWFSW-UHFFFAOYSA-N 2 2 396.580 0.254 20 0 GCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC1 ZINC000473924569 1195640242 /nfs/dbraw/zinc/64/02/42/1195640242.db2.gz PFERSLORTJWFSW-UHFFFAOYSA-N 2 2 396.580 0.254 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550362268 1195645740 /nfs/dbraw/zinc/64/57/40/1195645740.db2.gz LDXRQAQFQNZTJP-JFIYKMOQSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550362268 1195645741 /nfs/dbraw/zinc/64/57/41/1195645741.db2.gz LDXRQAQFQNZTJP-JFIYKMOQSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCN(C)CC1 ZINC000550382366 1195650740 /nfs/dbraw/zinc/65/07/40/1195650740.db2.gz SGMUIWRVAXHCLD-ROUUACIJSA-N 2 2 381.565 0.365 20 0 GCADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328822194 1195667025 /nfs/dbraw/zinc/66/70/25/1195667025.db2.gz IAWBLQPCMQEVPC-SOLBZPMBSA-N 2 2 375.517 0.848 20 0 GCADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328822183 1195667052 /nfs/dbraw/zinc/66/70/52/1195667052.db2.gz IAWBLQPCMQEVPC-JFIYKMOQSA-N 2 2 375.517 0.848 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]Cc2csnn2)CC3)CC1 ZINC000328831519 1195668840 /nfs/dbraw/zinc/66/88/40/1195668840.db2.gz KYMVIZDTSIOKDC-CYBMUJFWSA-N 2 2 375.502 0.474 20 0 GCADLP CNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050803026 1195692366 /nfs/dbraw/zinc/69/23/66/1195692366.db2.gz CNAMKCJFCXUBJV-UHFFFAOYSA-N 2 2 394.541 0.883 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000729497314 1195744942 /nfs/dbraw/zinc/74/49/42/1195744942.db2.gz RKUDXWSELKWYEW-NUJGCVRESA-N 2 2 384.546 0.357 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425408128 1195745367 /nfs/dbraw/zinc/74/53/67/1195745367.db2.gz SHFHWRVBZRMHRO-UHFFFAOYSA-N 2 2 397.564 0.729 20 0 GCADLP CC(C)CCN1C(=O)C[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000614566336 1195758928 /nfs/dbraw/zinc/75/89/28/1195758928.db2.gz VNTDVITWZUNRTH-QGZVFWFLSA-N 2 2 378.517 0.646 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000141461729 1195769511 /nfs/dbraw/zinc/76/95/11/1195769511.db2.gz SDACUTXNSGUMSI-QGZVFWFLSA-N 2 2 380.514 0.115 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000141461729 1195769516 /nfs/dbraw/zinc/76/95/16/1195769516.db2.gz SDACUTXNSGUMSI-QGZVFWFLSA-N 2 2 380.514 0.115 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000520514652 1195777984 /nfs/dbraw/zinc/77/79/84/1195777984.db2.gz SVHGWBQFKSJQQR-KZNAEPCWSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000520514652 1195777987 /nfs/dbraw/zinc/77/79/87/1195777987.db2.gz SVHGWBQFKSJQQR-KZNAEPCWSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665127610 1195799144 /nfs/dbraw/zinc/79/91/44/1195799144.db2.gz IRWDWRDMMAPGCZ-MSOLQXFVSA-N 2 2 397.564 0.191 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665127610 1195799147 /nfs/dbraw/zinc/79/91/47/1195799147.db2.gz IRWDWRDMMAPGCZ-MSOLQXFVSA-N 2 2 397.564 0.191 20 0 GCADLP COCC[NH+]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000193313287 1195811766 /nfs/dbraw/zinc/81/17/66/1195811766.db2.gz QZPPCVAJMVIOJK-UHFFFAOYSA-N 2 2 376.505 0.307 20 0 GCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000536474698 1195835245 /nfs/dbraw/zinc/83/52/45/1195835245.db2.gz AATMAPQJYDIYFY-UHFFFAOYSA-N 2 2 381.458 0.280 20 0 GCADLP O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000428039614 1195905145 /nfs/dbraw/zinc/90/51/45/1195905145.db2.gz SIGBUGDZBGNIKY-VQTJNVASSA-N 2 2 384.524 0.950 20 0 GCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000520793929 1195908852 /nfs/dbraw/zinc/90/88/52/1195908852.db2.gz SZZYLELDQZPETG-DOTOQJQBSA-N 2 2 383.514 0.564 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c2)CC1 ZINC000441870662 1195926868 /nfs/dbraw/zinc/92/68/68/1195926868.db2.gz QMFASSKMOUFZFL-UHFFFAOYSA-N 2 2 391.516 0.067 20 0 GCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n(C)n1 ZINC001075809122 1195929182 /nfs/dbraw/zinc/92/91/82/1195929182.db2.gz ULUGVYKQPNGVLE-YYIAUSFCSA-N 2 2 388.516 0.540 20 0 GCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n(C)n1 ZINC001075809122 1195929184 /nfs/dbraw/zinc/92/91/84/1195929184.db2.gz ULUGVYKQPNGVLE-YYIAUSFCSA-N 2 2 388.516 0.540 20 0 GCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n(C)n1 ZINC001075809122 1195929188 /nfs/dbraw/zinc/92/91/88/1195929188.db2.gz ULUGVYKQPNGVLE-YYIAUSFCSA-N 2 2 388.516 0.540 20 0 GCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n(C)n1 ZINC001075809122 1195929192 /nfs/dbraw/zinc/92/91/92/1195929192.db2.gz ULUGVYKQPNGVLE-YYIAUSFCSA-N 2 2 388.516 0.540 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000442167141 1195959149 /nfs/dbraw/zinc/95/91/49/1195959149.db2.gz XSQCHJABIWOGPX-LPHOPBHVSA-N 2 2 387.528 0.971 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@H+]1C ZINC000442167141 1195959151 /nfs/dbraw/zinc/95/91/51/1195959151.db2.gz XSQCHJABIWOGPX-LPHOPBHVSA-N 2 2 387.528 0.971 20 0 GCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000442274958 1195969790 /nfs/dbraw/zinc/96/97/90/1195969790.db2.gz WXCJSDSQUNWAIL-UONOGXRCSA-N 2 2 375.473 0.676 20 0 GCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000442274958 1195969794 /nfs/dbraw/zinc/96/97/94/1195969794.db2.gz WXCJSDSQUNWAIL-UONOGXRCSA-N 2 2 375.473 0.676 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000442329910 1195976834 /nfs/dbraw/zinc/97/68/34/1195976834.db2.gz FMEFXJHXEYUPBI-CQSZACIVSA-N 2 2 387.484 0.932 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000442329910 1195976836 /nfs/dbraw/zinc/97/68/36/1195976836.db2.gz FMEFXJHXEYUPBI-CQSZACIVSA-N 2 2 387.484 0.932 20 0 GCADLP CC[C@H](CO)Nc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000895164782 1196001876 /nfs/dbraw/zinc/00/18/76/1196001876.db2.gz DBZSVYBXWRJYJS-SJORKVTESA-N 2 2 378.521 0.868 20 0 GCADLP CC[C@H](CO)Nc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000895164782 1196001878 /nfs/dbraw/zinc/00/18/78/1196001878.db2.gz DBZSVYBXWRJYJS-SJORKVTESA-N 2 2 378.521 0.868 20 0 GCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442790601 1196004467 /nfs/dbraw/zinc/00/44/67/1196004467.db2.gz LWPKRKZQSDGQLY-GJZGRUSLSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442790601 1196004469 /nfs/dbraw/zinc/00/44/69/1196004469.db2.gz LWPKRKZQSDGQLY-GJZGRUSLSA-N 2 2 396.513 0.315 20 0 GCADLP CC[N@H+](CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)C1CC1 ZINC000442832961 1196007260 /nfs/dbraw/zinc/00/72/60/1196007260.db2.gz GQOSWYHKRFGGOP-UHFFFAOYSA-N 2 2 379.549 0.168 20 0 GCADLP CC[N@@H+](CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)C1CC1 ZINC000442832961 1196007263 /nfs/dbraw/zinc/00/72/63/1196007263.db2.gz GQOSWYHKRFGGOP-UHFFFAOYSA-N 2 2 379.549 0.168 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cnc(OC)nc1C ZINC001087622244 1196053022 /nfs/dbraw/zinc/05/30/22/1196053022.db2.gz BFHBCAJTDBGDME-BVPBIZIASA-N 2 2 391.516 0.982 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cnc(OC)nc1C ZINC001087622244 1196053023 /nfs/dbraw/zinc/05/30/23/1196053023.db2.gz BFHBCAJTDBGDME-BVPBIZIASA-N 2 2 391.516 0.982 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cnc(OC)nc1C ZINC001087622244 1196053025 /nfs/dbraw/zinc/05/30/25/1196053025.db2.gz BFHBCAJTDBGDME-BVPBIZIASA-N 2 2 391.516 0.982 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cnc(OC)nc1C ZINC001087622244 1196053027 /nfs/dbraw/zinc/05/30/27/1196053027.db2.gz BFHBCAJTDBGDME-BVPBIZIASA-N 2 2 391.516 0.982 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001087622379 1196053223 /nfs/dbraw/zinc/05/32/23/1196053223.db2.gz IWGZYFATXKMXHX-BZZMCLGOSA-N 2 2 380.533 0.733 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001087622379 1196053225 /nfs/dbraw/zinc/05/32/25/1196053225.db2.gz IWGZYFATXKMXHX-BZZMCLGOSA-N 2 2 380.533 0.733 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001087622379 1196053227 /nfs/dbraw/zinc/05/32/27/1196053227.db2.gz IWGZYFATXKMXHX-BZZMCLGOSA-N 2 2 380.533 0.733 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001087622379 1196053230 /nfs/dbraw/zinc/05/32/30/1196053230.db2.gz IWGZYFATXKMXHX-BZZMCLGOSA-N 2 2 380.533 0.733 20 0 GCADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC1 ZINC000114475625 1196100439 /nfs/dbraw/zinc/10/04/39/1196100439.db2.gz XZRCFZXDOFXIIS-UHFFFAOYSA-N 2 2 379.505 0.765 20 0 GCADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC1 ZINC000114475625 1196100441 /nfs/dbraw/zinc/10/04/41/1196100441.db2.gz XZRCFZXDOFXIIS-UHFFFAOYSA-N 2 2 379.505 0.765 20 0 GCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000895823447 1196114119 /nfs/dbraw/zinc/11/41/19/1196114119.db2.gz QXXYWABADABLNO-LJQANCHMSA-N 2 2 386.496 0.662 20 0 GCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000054511180 1196140945 /nfs/dbraw/zinc/14/09/45/1196140945.db2.gz RTHURDSOSWWEFA-KRWDZBQOSA-N 2 2 375.521 0.630 20 0 GCADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000054511180 1196140948 /nfs/dbraw/zinc/14/09/48/1196140948.db2.gz RTHURDSOSWWEFA-KRWDZBQOSA-N 2 2 375.521 0.630 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)C2)CC1 ZINC000896324866 1196142547 /nfs/dbraw/zinc/14/25/47/1196142547.db2.gz KPYTYNKUBCQORK-JQHSSLGASA-N 2 2 381.517 0.972 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)C2)CC1 ZINC000896324866 1196142548 /nfs/dbraw/zinc/14/25/48/1196142548.db2.gz KPYTYNKUBCQORK-JQHSSLGASA-N 2 2 381.517 0.972 20 0 GCADLP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896553828 1196162491 /nfs/dbraw/zinc/16/24/91/1196162491.db2.gz BUSVLNSKWQWUAS-SJORKVTESA-N 2 2 397.564 0.680 20 0 GCADLP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896553828 1196162492 /nfs/dbraw/zinc/16/24/92/1196162492.db2.gz BUSVLNSKWQWUAS-SJORKVTESA-N 2 2 397.564 0.680 20 0 GCADLP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896553825 1196162576 /nfs/dbraw/zinc/16/25/76/1196162576.db2.gz BUSVLNSKWQWUAS-DLBZAZTESA-N 2 2 397.564 0.680 20 0 GCADLP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896553825 1196162578 /nfs/dbraw/zinc/16/25/78/1196162578.db2.gz BUSVLNSKWQWUAS-DLBZAZTESA-N 2 2 397.564 0.680 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC(=O)N(C4CC4)C3=O)CC2)CC1 ZINC000329184653 1196173875 /nfs/dbraw/zinc/17/38/75/1196173875.db2.gz GAKAHUCERICFKF-QGZVFWFLSA-N 2 2 376.501 0.543 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329249472 1196180080 /nfs/dbraw/zinc/18/00/80/1196180080.db2.gz ASMMBGJXBUDHTA-ROUUACIJSA-N 2 2 378.517 0.395 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329249472 1196180082 /nfs/dbraw/zinc/18/00/82/1196180082.db2.gz ASMMBGJXBUDHTA-ROUUACIJSA-N 2 2 378.517 0.395 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329249472 1196180083 /nfs/dbraw/zinc/18/00/83/1196180083.db2.gz ASMMBGJXBUDHTA-ROUUACIJSA-N 2 2 378.517 0.395 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329249472 1196180086 /nfs/dbraw/zinc/18/00/86/1196180086.db2.gz ASMMBGJXBUDHTA-ROUUACIJSA-N 2 2 378.517 0.395 20 0 GCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329374389 1196189651 /nfs/dbraw/zinc/18/96/51/1196189651.db2.gz LBJQSQYLHLOMFO-KURKYZTESA-N 2 2 378.517 0.252 20 0 GCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329469376 1196198960 /nfs/dbraw/zinc/19/89/60/1196198960.db2.gz XMJFXGZUTVPGJM-OALUTQOASA-N 2 2 392.544 0.644 20 0 GCADLP CC[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329487010 1196200452 /nfs/dbraw/zinc/20/04/52/1196200452.db2.gz GMAPRCKGABVZEY-HKUYNNGSSA-N 2 2 394.560 0.888 20 0 GCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011831 1196216993 /nfs/dbraw/zinc/21/69/93/1196216993.db2.gz GAUOVKYKIORKQM-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011831 1196216996 /nfs/dbraw/zinc/21/69/96/1196216996.db2.gz GAUOVKYKIORKQM-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011831 1196216999 /nfs/dbraw/zinc/21/69/99/1196216999.db2.gz GAUOVKYKIORKQM-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011831 1196217001 /nfs/dbraw/zinc/21/70/01/1196217001.db2.gz GAUOVKYKIORKQM-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP CCn1ccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012102 1196217568 /nfs/dbraw/zinc/21/75/68/1196217568.db2.gz SQJWGIDJVWIUJB-ZJPYXAASSA-N 2 2 375.517 0.902 20 0 GCADLP CCn1ccnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012102 1196217572 /nfs/dbraw/zinc/21/75/72/1196217572.db2.gz SQJWGIDJVWIUJB-ZJPYXAASSA-N 2 2 375.517 0.902 20 0 GCADLP CCn1ccnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012102 1196217573 /nfs/dbraw/zinc/21/75/73/1196217573.db2.gz SQJWGIDJVWIUJB-ZJPYXAASSA-N 2 2 375.517 0.902 20 0 GCADLP CCn1ccnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012102 1196217576 /nfs/dbraw/zinc/21/75/76/1196217576.db2.gz SQJWGIDJVWIUJB-ZJPYXAASSA-N 2 2 375.517 0.902 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC[C@H]21 ZINC000330127262 1196254943 /nfs/dbraw/zinc/25/49/43/1196254943.db2.gz MSEYIUYLSYGAQY-FGTMMUONSA-N 2 2 378.517 0.110 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC[C@H]21 ZINC000330127262 1196254944 /nfs/dbraw/zinc/25/49/44/1196254944.db2.gz MSEYIUYLSYGAQY-FGTMMUONSA-N 2 2 378.517 0.110 20 0 GCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C1CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000330239351 1196261212 /nfs/dbraw/zinc/26/12/12/1196261212.db2.gz VMWHLBHAVFTPJT-LJQANCHMSA-N 2 2 391.560 0.310 20 0 GCADLP CN(C(=O)[C@H]1CCC[N@H+]1C1CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000330239351 1196261215 /nfs/dbraw/zinc/26/12/15/1196261215.db2.gz VMWHLBHAVFTPJT-LJQANCHMSA-N 2 2 391.560 0.310 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CCC(N)=O)Cc2ccccc2)C1 ZINC000281088014 1196274649 /nfs/dbraw/zinc/27/46/49/1196274649.db2.gz VVGOLMXRDQUXJB-IBGZPJMESA-N 2 2 390.528 0.837 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CCC(N)=O)Cc2ccccc2)C1 ZINC000281088014 1196274651 /nfs/dbraw/zinc/27/46/51/1196274651.db2.gz VVGOLMXRDQUXJB-IBGZPJMESA-N 2 2 390.528 0.837 20 0 GCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CCC(N)=O)Cc2ccccc2)C1 ZINC000281088014 1196274653 /nfs/dbraw/zinc/27/46/53/1196274653.db2.gz VVGOLMXRDQUXJB-IBGZPJMESA-N 2 2 390.528 0.837 20 0 GCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CCC(N)=O)Cc2ccccc2)C1 ZINC000281088014 1196274655 /nfs/dbraw/zinc/27/46/55/1196274655.db2.gz VVGOLMXRDQUXJB-IBGZPJMESA-N 2 2 390.528 0.837 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCC(N)=O)Cc2ccccc2)C1 ZINC000281088016 1196275017 /nfs/dbraw/zinc/27/50/17/1196275017.db2.gz VVGOLMXRDQUXJB-LJQANCHMSA-N 2 2 390.528 0.837 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCC(N)=O)Cc2ccccc2)C1 ZINC000281088016 1196275019 /nfs/dbraw/zinc/27/50/19/1196275019.db2.gz VVGOLMXRDQUXJB-LJQANCHMSA-N 2 2 390.528 0.837 20 0 GCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCC(N)=O)Cc2ccccc2)C1 ZINC000281088016 1196275022 /nfs/dbraw/zinc/27/50/22/1196275022.db2.gz VVGOLMXRDQUXJB-LJQANCHMSA-N 2 2 390.528 0.837 20 0 GCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCC(N)=O)Cc2ccccc2)C1 ZINC000281088016 1196275024 /nfs/dbraw/zinc/27/50/24/1196275024.db2.gz VVGOLMXRDQUXJB-LJQANCHMSA-N 2 2 390.528 0.837 20 0 GCADLP Cn1c[nH+]cc1CCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000281503178 1196301055 /nfs/dbraw/zinc/30/10/55/1196301055.db2.gz HJBRHRJFZWGIGN-UHFFFAOYSA-N 2 2 379.486 0.831 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)Cn1c[nH+]cc1C ZINC000985055416 1196336564 /nfs/dbraw/zinc/33/65/64/1196336564.db2.gz DXQNAWKTSFMGFA-YYIAUSFCSA-N 2 2 377.489 0.406 20 0 GCADLP CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444234771 1196366784 /nfs/dbraw/zinc/36/67/84/1196366784.db2.gz FHDBNORYAOXXMJ-OALUTQOASA-N 2 2 393.576 0.556 20 0 GCADLP CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444234771 1196366788 /nfs/dbraw/zinc/36/67/88/1196366788.db2.gz FHDBNORYAOXXMJ-OALUTQOASA-N 2 2 393.576 0.556 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000103168847 1196374087 /nfs/dbraw/zinc/37/40/87/1196374087.db2.gz SDMFHYRLVUUWMM-SFHVURJKSA-N 2 2 379.476 0.943 20 0 GCADLP COC(=O)c1cnc(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)s1 ZINC000896932894 1196377319 /nfs/dbraw/zinc/37/73/19/1196377319.db2.gz ULJDDBKNJKOUDB-UHFFFAOYSA-N 2 2 382.530 0.858 20 0 GCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475157904 1196385909 /nfs/dbraw/zinc/38/59/09/1196385909.db2.gz SHUDCCKAXBHACG-IAGOWNOFSA-N 2 2 382.530 0.419 20 0 GCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475157904 1196385914 /nfs/dbraw/zinc/38/59/14/1196385914.db2.gz SHUDCCKAXBHACG-IAGOWNOFSA-N 2 2 382.530 0.419 20 0 GCADLP NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000897052115 1196386211 /nfs/dbraw/zinc/38/62/11/1196386211.db2.gz IGOFUIMBMFXCLL-QGZVFWFLSA-N 2 2 383.514 0.508 20 0 GCADLP NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000897052115 1196386216 /nfs/dbraw/zinc/38/62/16/1196386216.db2.gz IGOFUIMBMFXCLL-QGZVFWFLSA-N 2 2 383.514 0.508 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000475450105 1196434861 /nfs/dbraw/zinc/43/48/61/1196434861.db2.gz MWPDIMVEYQERMS-UHFFFAOYSA-N 2 2 392.504 0.144 20 0 GCADLP O=C(C[N@@H+](CCO)C1CCOCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000444767788 1196520459 /nfs/dbraw/zinc/52/04/59/1196520459.db2.gz AGUUMSBYBCMCAC-UHFFFAOYSA-N 2 2 391.512 0.608 20 0 GCADLP O=C(C[N@H+](CCO)C1CCOCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000444767788 1196520462 /nfs/dbraw/zinc/52/04/62/1196520462.db2.gz AGUUMSBYBCMCAC-UHFFFAOYSA-N 2 2 391.512 0.608 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000523655192 1196542684 /nfs/dbraw/zinc/54/26/84/1196542684.db2.gz NMHCJAKESRCQNO-IRXDYDNUSA-N 2 2 378.517 0.646 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000523655192 1196542688 /nfs/dbraw/zinc/54/26/88/1196542688.db2.gz NMHCJAKESRCQNO-IRXDYDNUSA-N 2 2 378.517 0.646 20 0 GCADLP CC(C)C[C@@H]1C(=O)NCC[NH+]1CCOCC[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000445993529 1196606358 /nfs/dbraw/zinc/60/63/58/1196606358.db2.gz NGHBXCKXQDPMPL-QZTJIDSGSA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)C[C@@H]1C(=O)NCC[NH+]1CCOCC[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000445993529 1196606359 /nfs/dbraw/zinc/60/63/59/1196606359.db2.gz NGHBXCKXQDPMPL-QZTJIDSGSA-N 2 2 382.549 0.696 20 0 GCADLP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000524703930 1196616411 /nfs/dbraw/zinc/61/64/11/1196616411.db2.gz VIXNJTNNSCUUAU-LJQANCHMSA-N 2 2 380.489 0.962 20 0 GCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525267538 1196662363 /nfs/dbraw/zinc/66/23/63/1196662363.db2.gz YJEHSDHIRBLRIK-GOSISDBHSA-N 2 2 381.565 0.460 20 0 GCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525267538 1196662367 /nfs/dbraw/zinc/66/23/67/1196662367.db2.gz YJEHSDHIRBLRIK-GOSISDBHSA-N 2 2 381.565 0.460 20 0 GCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525267539 1196662607 /nfs/dbraw/zinc/66/26/07/1196662607.db2.gz YJEHSDHIRBLRIK-SFHVURJKSA-N 2 2 381.565 0.460 20 0 GCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525267539 1196662612 /nfs/dbraw/zinc/66/26/12/1196662612.db2.gz YJEHSDHIRBLRIK-SFHVURJKSA-N 2 2 381.565 0.460 20 0 GCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000897350012 1196667371 /nfs/dbraw/zinc/66/73/71/1196667371.db2.gz WYYUOAGXLJVCIT-RBUKOAKNSA-N 2 2 381.480 0.980 20 0 GCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000897350012 1196667372 /nfs/dbraw/zinc/66/73/72/1196667372.db2.gz WYYUOAGXLJVCIT-RBUKOAKNSA-N 2 2 381.480 0.980 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000525452001 1196683052 /nfs/dbraw/zinc/68/30/52/1196683052.db2.gz HXGZOWGCEQHLBQ-GOSISDBHSA-N 3 2 387.594 0.329 20 0 GCADLP COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000447065474 1196690755 /nfs/dbraw/zinc/69/07/55/1196690755.db2.gz ANZWWYJMHUZXRM-FUHWJXTLSA-N 2 2 379.505 0.074 20 0 GCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000447075638 1196691561 /nfs/dbraw/zinc/69/15/61/1196691561.db2.gz GQMUMXOOLBMFNR-UHFFFAOYSA-N 2 2 390.488 1.404 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000509641402 1196693651 /nfs/dbraw/zinc/69/36/51/1196693651.db2.gz PWJZKJFSSYTVDO-UHFFFAOYSA-N 2 2 383.537 0.293 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000509641402 1196693654 /nfs/dbraw/zinc/69/36/54/1196693654.db2.gz PWJZKJFSSYTVDO-UHFFFAOYSA-N 2 2 383.537 0.293 20 0 GCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000192722668 1196696483 /nfs/dbraw/zinc/69/64/83/1196696483.db2.gz LGHMZPSFIHLVQB-UHFFFAOYSA-N 2 2 379.549 0.169 20 0 GCADLP O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000447908907 1196756666 /nfs/dbraw/zinc/75/66/66/1196756666.db2.gz AVTRATORSYEKFH-MOPGFXCFSA-N 2 2 377.485 0.265 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000369687687 1196859325 /nfs/dbraw/zinc/85/93/25/1196859325.db2.gz YQVQSXRDUNSQFF-QGZVFWFLSA-N 2 2 382.549 0.744 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000369687687 1196859331 /nfs/dbraw/zinc/85/93/31/1196859331.db2.gz YQVQSXRDUNSQFF-QGZVFWFLSA-N 2 2 382.549 0.744 20 0 GCADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)[C@H]1C1CC1 ZINC000528454597 1196861203 /nfs/dbraw/zinc/86/12/03/1196861203.db2.gz YMBVXAUUFIBFHT-BEVDRBHNSA-N 2 2 376.545 0.975 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)CC1 ZINC000528748199 1196884179 /nfs/dbraw/zinc/88/41/79/1196884179.db2.gz GDLHSUYIIWXDGS-SZPZYZBQSA-N 2 2 389.540 0.952 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)CC1 ZINC000528748199 1196884183 /nfs/dbraw/zinc/88/41/83/1196884183.db2.gz GDLHSUYIIWXDGS-SZPZYZBQSA-N 2 2 389.540 0.952 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)c1 ZINC000529377947 1196918465 /nfs/dbraw/zinc/91/84/65/1196918465.db2.gz RSPMILIQCUFSIH-INIZCTEOSA-N 2 2 378.473 0.390 20 0 GCADLP CN(C(=O)CC1CCC(=O)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000530561434 1196995166 /nfs/dbraw/zinc/99/51/66/1196995166.db2.gz OZMUJOFGSZBEJF-UHFFFAOYSA-N 2 2 392.544 0.833 20 0 GCADLP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000530675362 1197007709 /nfs/dbraw/zinc/00/77/09/1197007709.db2.gz PCJTYGOIKVCRTQ-LJQANCHMSA-N 2 2 383.500 0.730 20 0 GCADLP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000530675362 1197007712 /nfs/dbraw/zinc/00/77/12/1197007712.db2.gz PCJTYGOIKVCRTQ-LJQANCHMSA-N 2 2 383.500 0.730 20 0 GCADLP CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000452011543 1197031251 /nfs/dbraw/zinc/03/12/51/1197031251.db2.gz GULQMYCJDKGMRE-HZPDHXFCSA-N 2 2 387.488 0.559 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000532027691 1197107196 /nfs/dbraw/zinc/10/71/96/1197107196.db2.gz GFTNFBJKGCCESW-IPMKNSEASA-N 2 2 398.548 0.089 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@H]3C2)CC[N@@H+]1C ZINC000986192495 1197154366 /nfs/dbraw/zinc/15/43/66/1197154366.db2.gz ULIRABZPFITQFJ-KCITZHQASA-N 2 2 387.528 1.000 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@H]3C2)CC[N@H+]1C ZINC000986192495 1197154367 /nfs/dbraw/zinc/15/43/67/1197154367.db2.gz ULIRABZPFITQFJ-KCITZHQASA-N 2 2 387.528 1.000 20 0 GCADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000360093458 1197155915 /nfs/dbraw/zinc/15/59/15/1197155915.db2.gz RYVBFIMDMBPVLK-MOPGFXCFSA-N 2 2 394.560 0.795 20 0 GCADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000360093458 1197155918 /nfs/dbraw/zinc/15/59/18/1197155918.db2.gz RYVBFIMDMBPVLK-MOPGFXCFSA-N 2 2 394.560 0.795 20 0 GCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000175813517 1197185493 /nfs/dbraw/zinc/18/54/93/1197185493.db2.gz WLKMSGDMMNJGOS-UXHICEINSA-N 2 2 394.608 0.681 20 0 GCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000175813517 1197185500 /nfs/dbraw/zinc/18/55/00/1197185500.db2.gz WLKMSGDMMNJGOS-UXHICEINSA-N 2 2 394.608 0.681 20 0 GCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000176190287 1197185851 /nfs/dbraw/zinc/18/58/51/1197185851.db2.gz HJOZKBAPMLOQLW-LJQANCHMSA-N 2 2 381.565 0.765 20 0 GCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000175813559 1197185887 /nfs/dbraw/zinc/18/58/87/1197185887.db2.gz WLKMSGDMMNJGOS-WOJBJXKFSA-N 2 2 394.608 0.681 20 0 GCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000175813559 1197185888 /nfs/dbraw/zinc/18/58/88/1197185888.db2.gz WLKMSGDMMNJGOS-WOJBJXKFSA-N 2 2 394.608 0.681 20 0 GCADLP CN(c1ccccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000180489656 1197201240 /nfs/dbraw/zinc/20/12/40/1197201240.db2.gz LQQFMHAIEHHVLA-GOSISDBHSA-N 2 2 385.512 0.360 20 0 GCADLP CN(c1ccccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000180489656 1197201245 /nfs/dbraw/zinc/20/12/45/1197201245.db2.gz LQQFMHAIEHHVLA-GOSISDBHSA-N 2 2 385.512 0.360 20 0 GCADLP O=C1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CN1CC[NH+]1CCOCC1 ZINC000183293270 1197209185 /nfs/dbraw/zinc/20/91/85/1197209185.db2.gz JSPWAGIQNSAYTA-HNNXBMFYSA-N 2 2 378.439 0.536 20 0 GCADLP C[C@H](O)C[NH+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000189395395 1197236372 /nfs/dbraw/zinc/23/63/72/1197236372.db2.gz CDEUYGPYXPKNRF-SFHVURJKSA-N 2 2 382.549 0.136 20 0 GCADLP C[N@H+](CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000064040114 1197241476 /nfs/dbraw/zinc/24/14/76/1197241476.db2.gz YEEXRQJWELWTBB-LJQANCHMSA-N 2 2 388.512 0.415 20 0 GCADLP C[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000064040114 1197241479 /nfs/dbraw/zinc/24/14/79/1197241479.db2.gz YEEXRQJWELWTBB-LJQANCHMSA-N 2 2 388.512 0.415 20 0 GCADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C)C1 ZINC000192826033 1197248687 /nfs/dbraw/zinc/24/86/87/1197248687.db2.gz CGVLVDILXDMDGF-RBUKOAKNSA-N 2 2 396.576 0.525 20 0 GCADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C)C1 ZINC000192826033 1197248692 /nfs/dbraw/zinc/24/86/92/1197248692.db2.gz CGVLVDILXDMDGF-RBUKOAKNSA-N 2 2 396.576 0.525 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666239835 1197250841 /nfs/dbraw/zinc/25/08/41/1197250841.db2.gz OPHMZSMUZAGTIO-GOSISDBHSA-N 2 2 392.504 0.590 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000785414654 1197280419 /nfs/dbraw/zinc/28/04/19/1197280419.db2.gz LGCRVIMCIYBZLF-INIZCTEOSA-N 2 2 392.500 0.796 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000785414654 1197280424 /nfs/dbraw/zinc/28/04/24/1197280424.db2.gz LGCRVIMCIYBZLF-INIZCTEOSA-N 2 2 392.500 0.796 20 0 GCADLP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@@H+]3CCOCC3(C)C)cn2)CC1 ZINC000171098640 1197312346 /nfs/dbraw/zinc/31/23/46/1197312346.db2.gz WPMXLACHONCOCB-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@H+]3CCOCC3(C)C)cn2)CC1 ZINC000171098640 1197312349 /nfs/dbraw/zinc/31/23/49/1197312349.db2.gz WPMXLACHONCOCB-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)CC1 ZINC000107370205 1197327665 /nfs/dbraw/zinc/32/76/65/1197327665.db2.gz FNBJAQUEJGXRNX-VQTJNVASSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)CC1 ZINC000107370205 1197327669 /nfs/dbraw/zinc/32/76/69/1197327669.db2.gz FNBJAQUEJGXRNX-VQTJNVASSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000107370205 1197327672 /nfs/dbraw/zinc/32/76/72/1197327672.db2.gz FNBJAQUEJGXRNX-VQTJNVASSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000107370205 1197327676 /nfs/dbraw/zinc/32/76/76/1197327676.db2.gz FNBJAQUEJGXRNX-VQTJNVASSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@H]2CCN(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000107370205 1197327679 /nfs/dbraw/zinc/32/76/79/1197327679.db2.gz FNBJAQUEJGXRNX-VQTJNVASSA-N 2 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@H]2CCN(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000107370205 1197327683 /nfs/dbraw/zinc/32/76/83/1197327683.db2.gz FNBJAQUEJGXRNX-VQTJNVASSA-N 2 2 395.592 0.171 20 0 GCADLP C[C@H]1C[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)S1 ZINC000532577542 1197330543 /nfs/dbraw/zinc/33/05/43/1197330543.db2.gz KGAWXEHJKVPUIF-KBPBESRZSA-N 2 2 389.529 0.838 20 0 GCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000897453386 1197333777 /nfs/dbraw/zinc/33/37/77/1197333777.db2.gz KNRZCKACPAEUGI-RTBURBONSA-N 2 2 387.528 0.302 20 0 GCADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000897453386 1197333779 /nfs/dbraw/zinc/33/37/79/1197333779.db2.gz KNRZCKACPAEUGI-RTBURBONSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000332971423 1197348644 /nfs/dbraw/zinc/34/86/44/1197348644.db2.gz YKXFKSKXSIJENX-YESZJQIVSA-N 2 2 381.521 0.044 20 0 GCADLP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000332971423 1197348648 /nfs/dbraw/zinc/34/86/48/1197348648.db2.gz YKXFKSKXSIJENX-YESZJQIVSA-N 2 2 381.521 0.044 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000643476790 1197351852 /nfs/dbraw/zinc/35/18/52/1197351852.db2.gz WSTJCFHJXGXVCN-GOSISDBHSA-N 2 2 378.517 0.300 20 0 GCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000123859773 1197352068 /nfs/dbraw/zinc/35/20/68/1197352068.db2.gz JOIGPBIRZDWUQB-QGZVFWFLSA-N 2 2 399.495 0.855 20 0 GCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000123859773 1197352069 /nfs/dbraw/zinc/35/20/69/1197352069.db2.gz JOIGPBIRZDWUQB-QGZVFWFLSA-N 2 2 399.495 0.855 20 0 GCADLP COc1ccc2c(c1)C[C@H](n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O)C2 ZINC001168258767 1197355537 /nfs/dbraw/zinc/35/55/37/1197355537.db2.gz GECWRDOWNIKLQA-MNEFBYGVSA-N 2 2 397.479 0.578 20 0 GCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1C ZINC000536553539 1197359700 /nfs/dbraw/zinc/35/97/00/1197359700.db2.gz BMVUQXBPMJEURF-IAGOWNOFSA-N 2 2 375.521 0.723 20 0 GCADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1C ZINC000536553539 1197359704 /nfs/dbraw/zinc/35/97/04/1197359704.db2.gz BMVUQXBPMJEURF-IAGOWNOFSA-N 2 2 375.521 0.723 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1Cc1cnnn1C ZINC001088574682 1197368290 /nfs/dbraw/zinc/36/82/90/1197368290.db2.gz JYMMWMMUVUGMKL-OAOYMFHYSA-N 2 2 390.532 0.641 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1Cc1cnnn1C ZINC001088574682 1197368293 /nfs/dbraw/zinc/36/82/93/1197368293.db2.gz JYMMWMMUVUGMKL-OAOYMFHYSA-N 2 2 390.532 0.641 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSc3nnnn3C3CC3)CC2)CC1 ZINC000050799238 1197380945 /nfs/dbraw/zinc/38/09/45/1197380945.db2.gz IQTXBVWKQVGADG-UHFFFAOYSA-N 2 2 379.534 0.775 20 0 GCADLP COCCn1nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1=O ZINC000050800446 1197381251 /nfs/dbraw/zinc/38/12/51/1197381251.db2.gz FLAPSDSVADKFFL-UHFFFAOYSA-N 2 2 377.489 0.178 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNC(=O)COc3ccccc3)CC2)CC1 ZINC000051464003 1197382780 /nfs/dbraw/zinc/38/27/80/1197382780.db2.gz NZJCESHGDIEFDI-UHFFFAOYSA-N 2 2 388.512 0.856 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCNC(=O)c3ccco3)CC2)CC1 ZINC000051758919 1197383729 /nfs/dbraw/zinc/38/37/29/1197383729.db2.gz BEXSJDOHYWMXPV-UHFFFAOYSA-N 2 2 377.489 0.867 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000139773581 1197394544 /nfs/dbraw/zinc/39/45/44/1197394544.db2.gz UZYVJSHKAJNIIA-WBVHZDCISA-N 2 2 386.562 0.621 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000139773581 1197394547 /nfs/dbraw/zinc/39/45/47/1197394547.db2.gz UZYVJSHKAJNIIA-WBVHZDCISA-N 2 2 386.562 0.621 20 0 GCADLP COC[C@]1(CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000666734229 1197398699 /nfs/dbraw/zinc/39/86/99/1197398699.db2.gz DBCYWRVXAMYUJW-HXUWFJFHSA-N 2 2 389.500 0.964 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000532799002 1197411831 /nfs/dbraw/zinc/41/18/31/1197411831.db2.gz HBAZUQRJSVJKSD-MRXNPFEDSA-N 2 2 389.566 0.078 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000532799002 1197411832 /nfs/dbraw/zinc/41/18/32/1197411832.db2.gz HBAZUQRJSVJKSD-MRXNPFEDSA-N 2 2 389.566 0.078 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000532902948 1197419788 /nfs/dbraw/zinc/41/97/88/1197419788.db2.gz OSNVTCQVZCTBDY-SFHVURJKSA-N 2 2 381.565 0.907 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000532902948 1197419791 /nfs/dbraw/zinc/41/97/91/1197419791.db2.gz OSNVTCQVZCTBDY-SFHVURJKSA-N 2 2 381.565 0.907 20 0 GCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245941171 1197440162 /nfs/dbraw/zinc/44/01/62/1197440162.db2.gz UWGLOCDISNDNOG-MSOLQXFVSA-N 2 2 380.533 0.642 20 0 GCADLP C[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[NH+](C)C ZINC000455439508 1197462123 /nfs/dbraw/zinc/46/21/23/1197462123.db2.gz ZTYDYTKCSABLCO-HNNXBMFYSA-N 2 2 377.493 0.095 20 0 GCADLP C[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[NH+](C)C ZINC000455439508 1197462126 /nfs/dbraw/zinc/46/21/26/1197462126.db2.gz ZTYDYTKCSABLCO-HNNXBMFYSA-N 2 2 377.493 0.095 20 0 GCADLP CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000533649049 1197464745 /nfs/dbraw/zinc/46/47/45/1197464745.db2.gz PAHFOWNCVDOSAI-RCCFBDPRSA-N 2 2 395.548 0.162 20 0 GCADLP CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000533649049 1197464747 /nfs/dbraw/zinc/46/47/47/1197464747.db2.gz PAHFOWNCVDOSAI-RCCFBDPRSA-N 2 2 395.548 0.162 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000069229400 1197468664 /nfs/dbraw/zinc/46/86/64/1197468664.db2.gz OVCPAVQXUVZSON-MOPGFXCFSA-N 2 2 388.512 0.586 20 0 GCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000428571239 1197471908 /nfs/dbraw/zinc/47/19/08/1197471908.db2.gz FCCFSAVEIBBYSY-HNNXBMFYSA-N 2 2 376.505 0.948 20 0 GCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000428571239 1197471909 /nfs/dbraw/zinc/47/19/09/1197471909.db2.gz FCCFSAVEIBBYSY-HNNXBMFYSA-N 2 2 376.505 0.948 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)S(C)(=O)=O ZINC000248150368 1197478307 /nfs/dbraw/zinc/47/83/07/1197478307.db2.gz QSYFCMCUCZLWND-IRXDYDNUSA-N 2 2 388.578 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)S(C)(=O)=O ZINC000248150368 1197478310 /nfs/dbraw/zinc/47/83/10/1197478310.db2.gz QSYFCMCUCZLWND-IRXDYDNUSA-N 2 2 388.578 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC000248150368 1197478312 /nfs/dbraw/zinc/47/83/12/1197478312.db2.gz QSYFCMCUCZLWND-IRXDYDNUSA-N 2 2 388.578 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)S(C)(=O)=O ZINC000248150368 1197478315 /nfs/dbraw/zinc/47/83/15/1197478315.db2.gz QSYFCMCUCZLWND-IRXDYDNUSA-N 2 2 388.578 0.579 20 0 GCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000261766029 1197514175 /nfs/dbraw/zinc/51/41/75/1197514175.db2.gz NLMXFPWOWHGYLQ-LJQANCHMSA-N 2 2 398.511 0.837 20 0 GCADLP CC1CCN(C(=[NH2+])NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000261882842 1197517572 /nfs/dbraw/zinc/51/75/72/1197517572.db2.gz RGUKQOCOKZGXLY-UHFFFAOYSA-N 2 2 394.545 0.790 20 0 GCADLP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000261896057 1197518122 /nfs/dbraw/zinc/51/81/22/1197518122.db2.gz RCBMDVQTMHWYRO-WBVHZDCISA-N 2 2 399.495 0.552 20 0 GCADLP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000261896057 1197518126 /nfs/dbraw/zinc/51/81/26/1197518126.db2.gz RCBMDVQTMHWYRO-WBVHZDCISA-N 2 2 399.495 0.552 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262563418 1197535176 /nfs/dbraw/zinc/53/51/76/1197535176.db2.gz ZGCMWSCMQKIIDG-ZMMAXQRCSA-N 2 2 380.533 0.543 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262563418 1197535180 /nfs/dbraw/zinc/53/51/80/1197535180.db2.gz ZGCMWSCMQKIIDG-ZMMAXQRCSA-N 2 2 380.533 0.543 20 0 GCADLP [NH3+]C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000429753876 1197553833 /nfs/dbraw/zinc/55/38/33/1197553833.db2.gz ASDYNDUSVGJKCV-UHFFFAOYSA-N 2 2 380.514 0.084 20 0 GCADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000611963290 1197568289 /nfs/dbraw/zinc/56/82/89/1197568289.db2.gz HCLWLMLRESJECX-AWEZNQCLSA-N 2 2 376.457 0.554 20 0 GCADLP CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C12CCC2 ZINC000459782472 1197587733 /nfs/dbraw/zinc/58/77/33/1197587733.db2.gz ZAEGNWWBAUIORD-HZPDHXFCSA-N 2 2 399.499 0.559 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000999715235 1198965381 /nfs/dbraw/zinc/96/53/81/1198965381.db2.gz OCJSZTPJMSZZEY-ZSXDVEMLSA-N 2 2 392.544 0.686 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000999715235 1198965384 /nfs/dbraw/zinc/96/53/84/1198965384.db2.gz OCJSZTPJMSZZEY-ZSXDVEMLSA-N 2 2 392.544 0.686 20 0 GCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265717813 1198984631 /nfs/dbraw/zinc/98/46/31/1198984631.db2.gz FRQXGJPJTULQHH-MRXNPFEDSA-N 2 2 389.504 0.239 20 0 GCADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265717813 1198984636 /nfs/dbraw/zinc/98/46/36/1198984636.db2.gz FRQXGJPJTULQHH-MRXNPFEDSA-N 2 2 389.504 0.239 20 0 GCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000265717813 1198984639 /nfs/dbraw/zinc/98/46/39/1198984639.db2.gz FRQXGJPJTULQHH-MRXNPFEDSA-N 2 2 389.504 0.239 20 0 GCADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000265717813 1198984642 /nfs/dbraw/zinc/98/46/42/1198984642.db2.gz FRQXGJPJTULQHH-MRXNPFEDSA-N 2 2 389.504 0.239 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009472 1199001929 /nfs/dbraw/zinc/00/19/29/1199001929.db2.gz IDOUWYAVLRHBQL-DOTOQJQBSA-N 3 2 379.549 0.118 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009472 1199001937 /nfs/dbraw/zinc/00/19/37/1199001937.db2.gz IDOUWYAVLRHBQL-DOTOQJQBSA-N 3 2 379.549 0.118 20 0 GCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795253 1199010990 /nfs/dbraw/zinc/01/09/90/1199010990.db2.gz PHXVFRPGXALKQR-HCXYKTFWSA-N 2 2 384.480 0.990 20 0 GCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795253 1199011001 /nfs/dbraw/zinc/01/10/01/1199011001.db2.gz PHXVFRPGXALKQR-HCXYKTFWSA-N 2 2 384.480 0.990 20 0 GCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795253 1199011009 /nfs/dbraw/zinc/01/10/09/1199011009.db2.gz PHXVFRPGXALKQR-HCXYKTFWSA-N 2 2 384.480 0.990 20 0 GCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795253 1199011014 /nfs/dbraw/zinc/01/10/14/1199011014.db2.gz PHXVFRPGXALKQR-HCXYKTFWSA-N 2 2 384.480 0.990 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000656059504 1199083881 /nfs/dbraw/zinc/08/38/81/1199083881.db2.gz BHPVSQLOQLVYTB-QGZVFWFLSA-N 2 2 380.533 0.642 20 0 GCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672098389 1199089221 /nfs/dbraw/zinc/08/92/21/1199089221.db2.gz SAAYQESKPLMSLX-FUHWJXTLSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672098389 1199089224 /nfs/dbraw/zinc/08/92/24/1199089224.db2.gz SAAYQESKPLMSLX-FUHWJXTLSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672098389 1199089226 /nfs/dbraw/zinc/08/92/26/1199089226.db2.gz SAAYQESKPLMSLX-FUHWJXTLSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672098389 1199089232 /nfs/dbraw/zinc/08/92/32/1199089232.db2.gz SAAYQESKPLMSLX-FUHWJXTLSA-N 3 2 381.565 0.460 20 0 GCADLP Cn1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000172698046 1199144219 /nfs/dbraw/zinc/14/42/19/1199144219.db2.gz WLMOFUBRCXAYTE-GOSISDBHSA-N 2 2 384.484 0.505 20 0 GCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000672166244 1199151654 /nfs/dbraw/zinc/15/16/54/1199151654.db2.gz VUFXWXLCQVVYNV-QGZVFWFLSA-N 2 2 377.489 0.664 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672203828 1199158442 /nfs/dbraw/zinc/15/84/42/1199158442.db2.gz NVRSNGMHZNYNCJ-RTBURBONSA-N 3 2 393.576 0.604 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672203828 1199158444 /nfs/dbraw/zinc/15/84/44/1199158444.db2.gz NVRSNGMHZNYNCJ-RTBURBONSA-N 3 2 393.576 0.604 20 0 GCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672203828 1199158447 /nfs/dbraw/zinc/15/84/47/1199158447.db2.gz NVRSNGMHZNYNCJ-RTBURBONSA-N 3 2 393.576 0.604 20 0 GCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672203828 1199158450 /nfs/dbraw/zinc/15/84/50/1199158450.db2.gz NVRSNGMHZNYNCJ-RTBURBONSA-N 3 2 393.576 0.604 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672305372 1199198350 /nfs/dbraw/zinc/19/83/50/1199198350.db2.gz MIANWHXWXPFHDT-IEBWSBKVSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672305372 1199198353 /nfs/dbraw/zinc/19/83/53/1199198353.db2.gz MIANWHXWXPFHDT-IEBWSBKVSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672305372 1199198355 /nfs/dbraw/zinc/19/83/55/1199198355.db2.gz MIANWHXWXPFHDT-IEBWSBKVSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672305372 1199198358 /nfs/dbraw/zinc/19/83/58/1199198358.db2.gz MIANWHXWXPFHDT-IEBWSBKVSA-N 3 2 391.560 0.214 20 0 GCADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000672311222 1199201102 /nfs/dbraw/zinc/20/11/02/1199201102.db2.gz BLEKJPXMYAZELV-FQEVSTJZSA-N 2 2 384.524 0.974 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000672535548 1199263908 /nfs/dbraw/zinc/26/39/08/1199263908.db2.gz MLNLBISLHRDZRD-RHSMWYFYSA-N 2 2 376.505 0.224 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000672535548 1199263911 /nfs/dbraw/zinc/26/39/11/1199263911.db2.gz MLNLBISLHRDZRD-RHSMWYFYSA-N 2 2 376.505 0.224 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672593335 1199276218 /nfs/dbraw/zinc/27/62/18/1199276218.db2.gz OLTOPHNUNIJRCC-NUJGCVRESA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672593335 1199276220 /nfs/dbraw/zinc/27/62/20/1199276220.db2.gz OLTOPHNUNIJRCC-NUJGCVRESA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000672593335 1199276221 /nfs/dbraw/zinc/27/62/21/1199276221.db2.gz OLTOPHNUNIJRCC-NUJGCVRESA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000672593335 1199276223 /nfs/dbraw/zinc/27/62/23/1199276223.db2.gz OLTOPHNUNIJRCC-NUJGCVRESA-N 3 2 379.549 0.212 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000672598698 1199280041 /nfs/dbraw/zinc/28/00/41/1199280041.db2.gz YNVQFXSMZGPKTP-FGTMMUONSA-N 2 2 380.533 0.735 20 0 GCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672598723 1199280327 /nfs/dbraw/zinc/28/03/27/1199280327.db2.gz DJMPXACETJYDNB-OTWHNJEPSA-N 2 2 392.544 0.833 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000672598700 1199280396 /nfs/dbraw/zinc/28/03/96/1199280396.db2.gz YNVQFXSMZGPKTP-KZNAEPCWSA-N 2 2 380.533 0.735 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]43)C2)CC1 ZINC000672638558 1199288622 /nfs/dbraw/zinc/28/86/22/1199288622.db2.gz VCALUKXTTWGTNW-DZOHQFGASA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]43)C2)CC1 ZINC000672638558 1199288626 /nfs/dbraw/zinc/28/86/26/1199288626.db2.gz VCALUKXTTWGTNW-DZOHQFGASA-N 2 2 378.517 0.345 20 0 GCADLP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672638451 1199288663 /nfs/dbraw/zinc/28/86/63/1199288663.db2.gz SQAACALFNOUSKB-JZXOWHBKSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672638451 1199288666 /nfs/dbraw/zinc/28/86/66/1199288666.db2.gz SQAACALFNOUSKB-JZXOWHBKSA-N 2 2 380.533 0.591 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccco3)C2)CC1 ZINC000672637891 1199290522 /nfs/dbraw/zinc/29/05/22/1199290522.db2.gz AGXIGRUOPKHDPA-NVXWUHKLSA-N 2 2 390.484 0.464 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccco3)C2)CC1 ZINC000672637891 1199290529 /nfs/dbraw/zinc/29/05/29/1199290529.db2.gz AGXIGRUOPKHDPA-NVXWUHKLSA-N 2 2 390.484 0.464 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](OCC4CC4)C3)C2)CC1 ZINC000672638657 1199290635 /nfs/dbraw/zinc/29/06/35/1199290635.db2.gz UHQZSZMIYNZZQT-PKOBYXMFSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](OCC4CC4)C3)C2)CC1 ZINC000672638657 1199290642 /nfs/dbraw/zinc/29/06/42/1199290642.db2.gz UHQZSZMIYNZZQT-PKOBYXMFSA-N 2 2 392.544 0.689 20 0 GCADLP C[C@@H]1C[C@H](CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637823 1199290746 /nfs/dbraw/zinc/29/07/46/1199290746.db2.gz CYCYKYVOXCTEMG-ZACQAIPSSA-N 2 2 380.533 0.593 20 0 GCADLP C[C@@H]1C[C@H](CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637823 1199290750 /nfs/dbraw/zinc/29/07/50/1199290750.db2.gz CYCYKYVOXCTEMG-ZACQAIPSSA-N 2 2 380.533 0.593 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](OCC4CC4)C3)C2)CC1 ZINC000672638654 1199291292 /nfs/dbraw/zinc/29/12/92/1199291292.db2.gz UHQZSZMIYNZZQT-MJGOQNOKSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](OCC4CC4)C3)C2)CC1 ZINC000672638654 1199291296 /nfs/dbraw/zinc/29/12/96/1199291296.db2.gz UHQZSZMIYNZZQT-MJGOQNOKSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ncsc4C3)C2)CC1 ZINC000672638098 1199291936 /nfs/dbraw/zinc/29/19/36/1199291936.db2.gz JLFGPMDCHDGSMN-CYBMUJFWSA-N 2 2 377.514 0.313 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ncsc4C3)C2)CC1 ZINC000672638098 1199291938 /nfs/dbraw/zinc/29/19/38/1199291938.db2.gz JLFGPMDCHDGSMN-CYBMUJFWSA-N 2 2 377.514 0.313 20 0 GCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637819 1199292093 /nfs/dbraw/zinc/29/20/93/1199292093.db2.gz CUKKXEIDGBRUIM-WMZOPIPTSA-N 3 2 379.549 0.214 20 0 GCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637819 1199292096 /nfs/dbraw/zinc/29/20/96/1199292096.db2.gz CUKKXEIDGBRUIM-WMZOPIPTSA-N 3 2 379.549 0.214 20 0 GCADLP COCC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672637994 1199292221 /nfs/dbraw/zinc/29/22/21/1199292221.db2.gz CEFHARZCFMOERT-DOTOQJQBSA-N 2 2 392.500 0.758 20 0 GCADLP COCC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672637994 1199292226 /nfs/dbraw/zinc/29/22/26/1199292226.db2.gz CEFHARZCFMOERT-DOTOQJQBSA-N 2 2 392.500 0.758 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(Cc3cccnc3)C3CC3)C2)CC1 ZINC000672639121 1199294521 /nfs/dbraw/zinc/29/45/21/1199294521.db2.gz ZIOLCSBLMQYXQT-QGZVFWFLSA-N 2 2 385.512 0.857 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(Cc3cccnc3)C3CC3)C2)CC1 ZINC000672639121 1199294524 /nfs/dbraw/zinc/29/45/24/1199294524.db2.gz ZIOLCSBLMQYXQT-QGZVFWFLSA-N 2 2 385.512 0.857 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C4CCOCC4)C3)C2)CC1 ZINC000672639962 1199295281 /nfs/dbraw/zinc/29/52/81/1199295281.db2.gz UXFQMKKHCDMUGM-MSOLQXFVSA-N 2 2 392.544 0.546 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C4CCOCC4)C3)C2)CC1 ZINC000672639962 1199295284 /nfs/dbraw/zinc/29/52/84/1199295284.db2.gz UXFQMKKHCDMUGM-MSOLQXFVSA-N 2 2 392.544 0.546 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[NH+](C)CC[C@@H]43)C2)CC1 ZINC000672640264 1199295791 /nfs/dbraw/zinc/29/57/91/1199295791.db2.gz UZECEMJDZHUADM-LNLFQRSKSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[NH+](C)CC[C@@H]43)C2)CC1 ZINC000672640264 1199295799 /nfs/dbraw/zinc/29/57/99/1199295799.db2.gz UZECEMJDZHUADM-LNLFQRSKSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640264 1199295805 /nfs/dbraw/zinc/29/58/05/1199295805.db2.gz UZECEMJDZHUADM-LNLFQRSKSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640264 1199295814 /nfs/dbraw/zinc/29/58/14/1199295814.db2.gz UZECEMJDZHUADM-LNLFQRSKSA-N 3 2 391.560 0.214 20 0 GCADLP COc1cc(F)cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672640248 1199296132 /nfs/dbraw/zinc/29/61/32/1199296132.db2.gz YFDVECKRQINAMT-INIZCTEOSA-N 2 2 392.475 0.735 20 0 GCADLP COc1cc(F)cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672640248 1199296138 /nfs/dbraw/zinc/29/61/38/1199296138.db2.gz YFDVECKRQINAMT-INIZCTEOSA-N 2 2 392.475 0.735 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(OCC4CC4)CC3)C2)CC1 ZINC000672639573 1199296211 /nfs/dbraw/zinc/29/62/11/1199296211.db2.gz LYUIBLNVIMXIEF-KRWDZBQOSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(OCC4CC4)CC3)C2)CC1 ZINC000672639573 1199296214 /nfs/dbraw/zinc/29/62/14/1199296214.db2.gz LYUIBLNVIMXIEF-KRWDZBQOSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C4CCOCC4)C3)C2)CC1 ZINC000672639964 1199296252 /nfs/dbraw/zinc/29/62/52/1199296252.db2.gz UXFQMKKHCDMUGM-ROUUACIJSA-N 2 2 392.544 0.546 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C4CCOCC4)C3)C2)CC1 ZINC000672639964 1199296258 /nfs/dbraw/zinc/29/62/58/1199296258.db2.gz UXFQMKKHCDMUGM-ROUUACIJSA-N 2 2 392.544 0.546 20 0 GCADLP Cc1ncsc1CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640075 1199296649 /nfs/dbraw/zinc/29/66/49/1199296649.db2.gz HWWXKNITHGOBSE-AWEZNQCLSA-N 2 2 379.530 0.695 20 0 GCADLP Cc1ncsc1CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640075 1199296650 /nfs/dbraw/zinc/29/66/50/1199296650.db2.gz HWWXKNITHGOBSE-AWEZNQCLSA-N 2 2 379.530 0.695 20 0 GCADLP Cc1nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000672639960 1199296961 /nfs/dbraw/zinc/29/69/61/1199296961.db2.gz PUAZBZMXRBDJAQ-AWEZNQCLSA-N 2 2 379.530 0.661 20 0 GCADLP Cc1nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000672639960 1199296965 /nfs/dbraw/zinc/29/69/65/1199296965.db2.gz PUAZBZMXRBDJAQ-AWEZNQCLSA-N 2 2 379.530 0.661 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000672640969 1199297753 /nfs/dbraw/zinc/29/77/53/1199297753.db2.gz HTDDJIFMDCEYNY-KRWDZBQOSA-N 3 2 393.576 0.604 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000672640969 1199297761 /nfs/dbraw/zinc/29/77/61/1199297761.db2.gz HTDDJIFMDCEYNY-KRWDZBQOSA-N 3 2 393.576 0.604 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640969 1199297765 /nfs/dbraw/zinc/29/77/65/1199297765.db2.gz HTDDJIFMDCEYNY-KRWDZBQOSA-N 3 2 393.576 0.604 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640969 1199297771 /nfs/dbraw/zinc/29/77/71/1199297771.db2.gz HTDDJIFMDCEYNY-KRWDZBQOSA-N 3 2 393.576 0.604 20 0 GCADLP CCC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640848 1199298022 /nfs/dbraw/zinc/29/80/22/1199298022.db2.gz CLRWZHJBRIJKGW-JXFKEZNVSA-N 2 2 380.533 0.425 20 0 GCADLP CCC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640848 1199298025 /nfs/dbraw/zinc/29/80/25/1199298025.db2.gz CLRWZHJBRIJKGW-JXFKEZNVSA-N 2 2 380.533 0.425 20 0 GCADLP CCOC1CC(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641125 1199298169 /nfs/dbraw/zinc/29/81/69/1199298169.db2.gz LOWINHGRKJBARO-UPTPFMHGSA-N 2 2 380.533 0.593 20 0 GCADLP CCOC1CC(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641125 1199298177 /nfs/dbraw/zinc/29/81/77/1199298177.db2.gz LOWINHGRKJBARO-UPTPFMHGSA-N 2 2 380.533 0.593 20 0 GCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641112 1199298538 /nfs/dbraw/zinc/29/85/38/1199298538.db2.gz NFAZVRVHSABKJJ-KRWDZBQOSA-N 2 2 390.532 0.373 20 0 GCADLP CCC[C@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640850 1199298934 /nfs/dbraw/zinc/29/89/34/1199298934.db2.gz CLRWZHJBRIJKGW-OXQOHEQNSA-N 2 2 380.533 0.425 20 0 GCADLP CCC[C@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640850 1199298939 /nfs/dbraw/zinc/29/89/39/1199298939.db2.gz CLRWZHJBRIJKGW-OXQOHEQNSA-N 2 2 380.533 0.425 20 0 GCADLP CCC[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640849 1199299094 /nfs/dbraw/zinc/29/90/94/1199299094.db2.gz CLRWZHJBRIJKGW-OXJNMPFZSA-N 2 2 380.533 0.425 20 0 GCADLP CCC[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640849 1199299095 /nfs/dbraw/zinc/29/90/95/1199299095.db2.gz CLRWZHJBRIJKGW-OXJNMPFZSA-N 2 2 380.533 0.425 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000672642301 1199299993 /nfs/dbraw/zinc/29/99/93/1199299993.db2.gz FOVXJYHUKABMHG-GDBMZVCRSA-N 2 2 380.533 0.733 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000672642301 1199299999 /nfs/dbraw/zinc/29/99/99/1199299999.db2.gz FOVXJYHUKABMHG-GDBMZVCRSA-N 2 2 380.533 0.733 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C2CC2)O1 ZINC000672642124 1199300052 /nfs/dbraw/zinc/30/00/52/1199300052.db2.gz YKIQHZVKFVOZPT-HFTRVMKXSA-N 2 2 378.517 0.297 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C2CC2)O1 ZINC000672642124 1199300056 /nfs/dbraw/zinc/30/00/56/1199300056.db2.gz YKIQHZVKFVOZPT-HFTRVMKXSA-N 2 2 378.517 0.297 20 0 GCADLP CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672641830 1199302735 /nfs/dbraw/zinc/30/27/35/1199302735.db2.gz UNJODLCOZOFBLL-PTSWNOGYSA-N 2 2 380.533 0.591 20 0 GCADLP CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672641830 1199302737 /nfs/dbraw/zinc/30/27/37/1199302737.db2.gz UNJODLCOZOFBLL-PTSWNOGYSA-N 2 2 380.533 0.591 20 0 GCADLP COCCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CC[C@H](C)C1 ZINC000672641745 1199303008 /nfs/dbraw/zinc/30/30/08/1199303008.db2.gz SYBWTFRVWQYCII-SCTDSRPQSA-N 2 2 394.560 0.935 20 0 GCADLP COCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CC[C@H](C)C1 ZINC000672641745 1199303012 /nfs/dbraw/zinc/30/30/12/1199303012.db2.gz SYBWTFRVWQYCII-SCTDSRPQSA-N 2 2 394.560 0.935 20 0 GCADLP CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641708 1199303594 /nfs/dbraw/zinc/30/35/94/1199303594.db2.gz SMEHARHQFDXEPI-LAUBAEHRSA-N 2 2 394.560 0.671 20 0 GCADLP CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641708 1199303598 /nfs/dbraw/zinc/30/35/98/1199303598.db2.gz SMEHARHQFDXEPI-LAUBAEHRSA-N 2 2 394.560 0.671 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643050 1199305912 /nfs/dbraw/zinc/30/59/12/1199305912.db2.gz NNLLWSQBRZWBBZ-HKUYNNGSSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643050 1199305915 /nfs/dbraw/zinc/30/59/15/1199305915.db2.gz NNLLWSQBRZWBBZ-HKUYNNGSSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000672642834 1199306198 /nfs/dbraw/zinc/30/61/98/1199306198.db2.gz VXTYWSJGDIOIBQ-QGZVFWFLSA-N 3 2 393.576 0.509 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000672642834 1199306204 /nfs/dbraw/zinc/30/62/04/1199306204.db2.gz VXTYWSJGDIOIBQ-QGZVFWFLSA-N 3 2 393.576 0.509 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001002835640 1199308097 /nfs/dbraw/zinc/30/80/97/1199308097.db2.gz QUNBWZTUTMNAGQ-IDCNUPLLSA-N 2 2 382.468 0.899 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672692645 1199317601 /nfs/dbraw/zinc/31/76/01/1199317601.db2.gz HIHOPNDJQWGLLR-HKUYNNGSSA-N 3 2 393.576 0.604 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672692645 1199317607 /nfs/dbraw/zinc/31/76/07/1199317607.db2.gz HIHOPNDJQWGLLR-HKUYNNGSSA-N 3 2 393.576 0.604 20 0 GCADLP CC1(C)CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[N@@H+]1CCO ZINC000672756174 1199327685 /nfs/dbraw/zinc/32/76/85/1199327685.db2.gz IHPXYZQRLAAMIE-GOSISDBHSA-N 2 2 386.562 0.292 20 0 GCADLP CC1(C)CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[N@H+]1CCO ZINC000672756174 1199327688 /nfs/dbraw/zinc/32/76/88/1199327688.db2.gz IHPXYZQRLAAMIE-GOSISDBHSA-N 2 2 386.562 0.292 20 0 GCADLP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1(C)C ZINC000672854905 1199353555 /nfs/dbraw/zinc/35/35/55/1199353555.db2.gz JNLDQQYGVHRIMU-MRXNPFEDSA-N 2 2 376.505 0.189 20 0 GCADLP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1(C)C ZINC000672854905 1199353560 /nfs/dbraw/zinc/35/35/60/1199353560.db2.gz JNLDQQYGVHRIMU-MRXNPFEDSA-N 2 2 376.505 0.189 20 0 GCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCSC23CN(C(=O)Cc2c[nH+]c[nH]2)C3)CC1 ZINC001272970699 1199372819 /nfs/dbraw/zinc/37/28/19/1199372819.db2.gz KEKJEAFYQVSYFZ-HNNXBMFYSA-N 2 2 377.514 0.497 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000499639222 1199388737 /nfs/dbraw/zinc/38/87/37/1199388737.db2.gz CTMREGHIMOFUKM-AEFFLSMTSA-N 2 2 398.511 0.435 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673054343 1199401570 /nfs/dbraw/zinc/40/15/70/1199401570.db2.gz HQMVOKLSVZOEQR-WNRNVDISSA-N 2 2 392.544 0.543 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673054343 1199401574 /nfs/dbraw/zinc/40/15/74/1199401574.db2.gz HQMVOKLSVZOEQR-WNRNVDISSA-N 2 2 392.544 0.543 20 0 GCADLP CC(C)[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000079100270 1199476934 /nfs/dbraw/zinc/47/69/34/1199476934.db2.gz CLLASLXTAYHNNR-RTBURBONSA-N 2 2 383.581 0.914 20 0 GCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCO1 ZINC000673301672 1199528202 /nfs/dbraw/zinc/52/82/02/1199528202.db2.gz GSZZXSSWEJCUHX-DLBZAZTESA-N 2 2 389.500 0.394 20 0 GCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCO1 ZINC000673301672 1199528207 /nfs/dbraw/zinc/52/82/07/1199528207.db2.gz GSZZXSSWEJCUHX-DLBZAZTESA-N 2 2 389.500 0.394 20 0 GCADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000080012662 1199563897 /nfs/dbraw/zinc/56/38/97/1199563897.db2.gz YJEMSQHPKZWZEW-KRWDZBQOSA-N 2 2 377.537 0.874 20 0 GCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1C[NH+](C)CCO1 ZINC000673349144 1199569325 /nfs/dbraw/zinc/56/93/25/1199569325.db2.gz SUNCWGMVIWGBIW-RHSMWYFYSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1C[NH+](C)CCO1 ZINC000673349144 1199569328 /nfs/dbraw/zinc/56/93/28/1199569328.db2.gz SUNCWGMVIWGBIW-RHSMWYFYSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000673349144 1199569330 /nfs/dbraw/zinc/56/93/30/1199569330.db2.gz SUNCWGMVIWGBIW-RHSMWYFYSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000673349144 1199569337 /nfs/dbraw/zinc/56/93/37/1199569337.db2.gz SUNCWGMVIWGBIW-RHSMWYFYSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000673349141 1199569854 /nfs/dbraw/zinc/56/98/54/1199569854.db2.gz SUNCWGMVIWGBIW-PBHICJAKSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000673349141 1199569858 /nfs/dbraw/zinc/56/98/58/1199569858.db2.gz SUNCWGMVIWGBIW-PBHICJAKSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000673349141 1199569862 /nfs/dbraw/zinc/56/98/62/1199569862.db2.gz SUNCWGMVIWGBIW-PBHICJAKSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673349141 1199569865 /nfs/dbraw/zinc/56/98/65/1199569865.db2.gz SUNCWGMVIWGBIW-PBHICJAKSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCO1 ZINC000673428098 1199630385 /nfs/dbraw/zinc/63/03/85/1199630385.db2.gz XAZNMQVQNANDBI-IAGOWNOFSA-N 2 2 377.489 0.664 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCO1 ZINC000673428098 1199630390 /nfs/dbraw/zinc/63/03/90/1199630390.db2.gz XAZNMQVQNANDBI-IAGOWNOFSA-N 2 2 377.489 0.664 20 0 GCADLP CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2)[NH+](C)C ZINC001003808266 1199675874 /nfs/dbraw/zinc/67/58/74/1199675874.db2.gz KVBLAMNEJVCSKG-WNOSKKOXSA-N 2 2 377.489 0.938 20 0 GCADLP C[NH+]1CCN(C[C@H](NC(=O)NCCC[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000069864704 1199739709 /nfs/dbraw/zinc/73/97/09/1199739709.db2.gz CLMBCCWQDRAELJ-FQEVSTJZSA-N 2 2 389.544 0.997 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001004217212 1199820884 /nfs/dbraw/zinc/82/08/84/1199820884.db2.gz WUWSQPPUFLCCFG-IDCNUPLLSA-N 2 2 382.468 0.899 20 0 GCADLP CC(=O)NC[C@H]1CN(c2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)c(F)c2)C(=O)O1 ZINC001168736608 1199893143 /nfs/dbraw/zinc/89/31/43/1199893143.db2.gz JGRYJEHPUWOPBH-AWEZNQCLSA-N 2 2 392.435 0.881 20 0 GCADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000673669776 1199926205 /nfs/dbraw/zinc/92/62/05/1199926205.db2.gz UELCWPJGHVPJJE-HNNXBMFYSA-N 2 2 380.514 0.541 20 0 GCADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000673669776 1199926207 /nfs/dbraw/zinc/92/62/07/1199926207.db2.gz UELCWPJGHVPJJE-HNNXBMFYSA-N 2 2 380.514 0.541 20 0 GCADLP C[NH+](C)CCn1cc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000159114345 1199929411 /nfs/dbraw/zinc/92/94/11/1199929411.db2.gz IGUFFKDNVGTNSI-UHFFFAOYSA-N 2 2 399.499 0.907 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)C1 ZINC001004906143 1200003866 /nfs/dbraw/zinc/00/38/66/1200003866.db2.gz JYLAACHOOLREQO-NCOADZHNSA-N 2 2 378.517 0.440 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)C1 ZINC001004906143 1200003870 /nfs/dbraw/zinc/00/38/70/1200003870.db2.gz JYLAACHOOLREQO-NCOADZHNSA-N 2 2 378.517 0.440 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000670468641 1200193162 /nfs/dbraw/zinc/19/31/62/1200193162.db2.gz CSDRHSRUPGSJOR-OAHLLOKOSA-N 2 2 388.468 0.316 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000670468641 1200193165 /nfs/dbraw/zinc/19/31/65/1200193165.db2.gz CSDRHSRUPGSJOR-OAHLLOKOSA-N 2 2 388.468 0.316 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670486206 1200330325 /nfs/dbraw/zinc/33/03/25/1200330325.db2.gz WTBDIPCFQUPERV-GOSISDBHSA-N 2 2 388.512 0.938 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670486206 1200330331 /nfs/dbraw/zinc/33/03/31/1200330331.db2.gz WTBDIPCFQUPERV-GOSISDBHSA-N 2 2 388.512 0.938 20 0 GCADLP COc1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670504252 1200381043 /nfs/dbraw/zinc/38/10/43/1200381043.db2.gz BRWLSLHEKVGTFE-SFHVURJKSA-N 2 2 388.512 0.938 20 0 GCADLP COc1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670504252 1200381051 /nfs/dbraw/zinc/38/10/51/1200381051.db2.gz BRWLSLHEKVGTFE-SFHVURJKSA-N 2 2 388.512 0.938 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[C@H](C)[NH2+]C)cc2)CC1 ZINC001118016362 1200432370 /nfs/dbraw/zinc/43/23/70/1200432370.db2.gz DIUNCTCAMYHYQV-INIZCTEOSA-N 2 2 375.517 0.877 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675819022 1200461942 /nfs/dbraw/zinc/46/19/42/1200461942.db2.gz JTIIZTGFFLXPAI-MJGOQNOKSA-N 2 2 395.573 0.459 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675819022 1200461947 /nfs/dbraw/zinc/46/19/47/1200461947.db2.gz JTIIZTGFFLXPAI-MJGOQNOKSA-N 2 2 395.573 0.459 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000675968691 1200474783 /nfs/dbraw/zinc/47/47/83/1200474783.db2.gz UTRNQHVSAUGGHG-LJQANCHMSA-N 2 2 385.512 0.950 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000675968691 1200474792 /nfs/dbraw/zinc/47/47/92/1200474792.db2.gz UTRNQHVSAUGGHG-LJQANCHMSA-N 2 2 385.512 0.950 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676043893 1200480495 /nfs/dbraw/zinc/48/04/95/1200480495.db2.gz YGNLFILZPMWLHP-JQFCIGGWSA-N 2 2 396.919 0.894 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676043893 1200480496 /nfs/dbraw/zinc/48/04/96/1200480496.db2.gz YGNLFILZPMWLHP-JQFCIGGWSA-N 2 2 396.919 0.894 20 0 GCADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676241855 1200513785 /nfs/dbraw/zinc/51/37/85/1200513785.db2.gz IPURJUDRPODTHT-IAGOWNOFSA-N 2 2 391.520 0.007 20 0 GCADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241855 1200513789 /nfs/dbraw/zinc/51/37/89/1200513789.db2.gz IPURJUDRPODTHT-IAGOWNOFSA-N 2 2 391.520 0.007 20 0 GCADLP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000676417947 1200557619 /nfs/dbraw/zinc/55/76/19/1200557619.db2.gz KCYPWMYVPQQQAT-IBGZPJMESA-N 3 2 390.528 0.650 20 0 GCADLP O=C(C[N@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000676567189 1200570794 /nfs/dbraw/zinc/57/07/94/1200570794.db2.gz RFPRXTPPPORFAJ-FUHWJXTLSA-N 2 2 379.526 0.849 20 0 GCADLP O=C(C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000676567189 1200570801 /nfs/dbraw/zinc/57/08/01/1200570801.db2.gz RFPRXTPPPORFAJ-FUHWJXTLSA-N 2 2 379.526 0.849 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000676712516 1200586497 /nfs/dbraw/zinc/58/64/97/1200586497.db2.gz LDBJDTAMBACMPB-HKUYNNGSSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000676712516 1200586509 /nfs/dbraw/zinc/58/65/09/1200586509.db2.gz LDBJDTAMBACMPB-HKUYNNGSSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000676712516 1200586517 /nfs/dbraw/zinc/58/65/17/1200586517.db2.gz LDBJDTAMBACMPB-HKUYNNGSSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000676712516 1200586526 /nfs/dbraw/zinc/58/65/26/1200586526.db2.gz LDBJDTAMBACMPB-HKUYNNGSSA-N 2 2 391.560 0.168 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000524031596 1200712936 /nfs/dbraw/zinc/71/29/36/1200712936.db2.gz JBFYKZXRBIIYTN-KRWDZBQOSA-N 2 2 394.520 0.694 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000524031596 1200712937 /nfs/dbraw/zinc/71/29/37/1200712937.db2.gz JBFYKZXRBIIYTN-KRWDZBQOSA-N 2 2 394.520 0.694 20 0 GCADLP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[NH+](C(C)C)CC3)O2)CC1 ZINC000188120524 1200734055 /nfs/dbraw/zinc/73/40/55/1200734055.db2.gz RIDYUMOTGBOVAM-HDICACEKSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000477108588 1200829519 /nfs/dbraw/zinc/82/95/19/1200829519.db2.gz QYHAWBMTYUZFME-MJGOQNOKSA-N 2 2 390.528 0.850 20 0 GCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000477108588 1200829525 /nfs/dbraw/zinc/82/95/25/1200829525.db2.gz QYHAWBMTYUZFME-MJGOQNOKSA-N 2 2 390.528 0.850 20 0 GCADLP Cc1sc2nc(CN3CC[NH+]([C@H]4C[C@H]([NH3+])C[C@@H]4O)CC3)[nH]c(=O)c2c1C ZINC000923320258 1200947877 /nfs/dbraw/zinc/94/78/77/1200947877.db2.gz WHVGYQVAFLHPJS-IHRRRGAJSA-N 2 2 377.514 0.982 20 0 GCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923332835 1200952545 /nfs/dbraw/zinc/95/25/45/1200952545.db2.gz MFQFJQNCTXNJQQ-QZTJIDSGSA-N 2 2 390.484 0.281 20 0 GCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923332835 1200952547 /nfs/dbraw/zinc/95/25/47/1200952547.db2.gz MFQFJQNCTXNJQQ-QZTJIDSGSA-N 2 2 390.484 0.281 20 0 GCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923332836 1200952668 /nfs/dbraw/zinc/95/26/68/1200952668.db2.gz MFQFJQNCTXNJQQ-ROUUACIJSA-N 2 2 390.484 0.281 20 0 GCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923332836 1200952672 /nfs/dbraw/zinc/95/26/72/1200952672.db2.gz MFQFJQNCTXNJQQ-ROUUACIJSA-N 2 2 390.484 0.281 20 0 GCADLP [NH3+]CC(C[NH3+])NCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000923350987 1200962158 /nfs/dbraw/zinc/96/21/58/1200962158.db2.gz DKRPHZJGJJPXPI-UHFFFAOYSA-N 3 2 381.524 0.796 20 0 GCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC000923370872 1200969746 /nfs/dbraw/zinc/96/97/46/1200969746.db2.gz YSUPUKMJZBNWCZ-SZMVWBNQSA-N 2 2 390.509 0.782 20 0 GCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC000923370872 1200969751 /nfs/dbraw/zinc/96/97/51/1200969751.db2.gz YSUPUKMJZBNWCZ-SZMVWBNQSA-N 2 2 390.509 0.782 20 0 GCADLP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000923437616 1201001495 /nfs/dbraw/zinc/00/14/95/1201001495.db2.gz VFMOSUXGIFLJOQ-KKUMJFAQSA-N 2 2 386.504 0.083 20 0 GCADLP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000923437620 1201001813 /nfs/dbraw/zinc/00/18/13/1201001813.db2.gz VFMOSUXGIFLJOQ-SOUVJXGZSA-N 2 2 386.504 0.083 20 0 GCADLP Cc1onc(N)c1S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420471007 1201148762 /nfs/dbraw/zinc/14/87/62/1201148762.db2.gz OWENEHUXLIJKHJ-UHFFFAOYSA-N 2 2 379.486 0.837 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001079143854 1201247423 /nfs/dbraw/zinc/24/74/23/1201247423.db2.gz RSOWWMYSOWSXJJ-HNBVOPMISA-N 2 2 384.480 0.590 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001079143854 1201247429 /nfs/dbraw/zinc/24/74/29/1201247429.db2.gz RSOWWMYSOWSXJJ-HNBVOPMISA-N 2 2 384.480 0.590 20 0 GCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079720110 1201255297 /nfs/dbraw/zinc/25/52/97/1201255297.db2.gz VSHFVQSWMYSTPR-AXUOBQJMSA-N 2 2 390.532 0.499 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079720110 1201255302 /nfs/dbraw/zinc/25/53/02/1201255302.db2.gz VSHFVQSWMYSTPR-AXUOBQJMSA-N 2 2 390.532 0.499 20 0 GCADLP C[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951482 1201261936 /nfs/dbraw/zinc/26/19/36/1201261936.db2.gz PSPSTSFYCFDDDN-TWKYDXJASA-N 2 2 379.476 0.974 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951482 1201261940 /nfs/dbraw/zinc/26/19/40/1201261940.db2.gz PSPSTSFYCFDDDN-TWKYDXJASA-N 2 2 379.476 0.974 20 0 GCADLP C[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951482 1201261945 /nfs/dbraw/zinc/26/19/45/1201261945.db2.gz PSPSTSFYCFDDDN-TWKYDXJASA-N 2 2 379.476 0.974 20 0 GCADLP C[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951482 1201261951 /nfs/dbraw/zinc/26/19/51/1201261951.db2.gz PSPSTSFYCFDDDN-TWKYDXJASA-N 2 2 379.476 0.974 20 0 GCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691942 1201301043 /nfs/dbraw/zinc/30/10/43/1201301043.db2.gz ZNLYIEIZQMQUNC-BRSBDYLESA-N 2 2 380.533 0.401 20 0 GCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691942 1201301051 /nfs/dbraw/zinc/30/10/51/1201301051.db2.gz ZNLYIEIZQMQUNC-BRSBDYLESA-N 2 2 380.533 0.401 20 0 GCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691942 1201301056 /nfs/dbraw/zinc/30/10/56/1201301056.db2.gz ZNLYIEIZQMQUNC-BRSBDYLESA-N 2 2 380.533 0.401 20 0 GCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691942 1201301065 /nfs/dbraw/zinc/30/10/65/1201301065.db2.gz ZNLYIEIZQMQUNC-BRSBDYLESA-N 2 2 380.533 0.401 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846916 1201305860 /nfs/dbraw/zinc/30/58/60/1201305860.db2.gz MHOLTUFWZVOMCM-LMFCIFFHSA-N 2 2 389.496 0.751 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846916 1201305866 /nfs/dbraw/zinc/30/58/66/1201305866.db2.gz MHOLTUFWZVOMCM-LMFCIFFHSA-N 2 2 389.496 0.751 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081846916 1201305869 /nfs/dbraw/zinc/30/58/69/1201305869.db2.gz MHOLTUFWZVOMCM-LMFCIFFHSA-N 2 2 389.496 0.751 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081846916 1201305874 /nfs/dbraw/zinc/30/58/74/1201305874.db2.gz MHOLTUFWZVOMCM-LMFCIFFHSA-N 2 2 389.496 0.751 20 0 GCADLP CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848006 1201307046 /nfs/dbraw/zinc/30/70/46/1201307046.db2.gz GTTZFOOUCBOPBG-DTZQCDIJSA-N 2 2 382.530 0.529 20 0 GCADLP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848006 1201307052 /nfs/dbraw/zinc/30/70/52/1201307052.db2.gz GTTZFOOUCBOPBG-DTZQCDIJSA-N 2 2 382.530 0.529 20 0 GCADLP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848006 1201307058 /nfs/dbraw/zinc/30/70/58/1201307058.db2.gz GTTZFOOUCBOPBG-DTZQCDIJSA-N 2 2 382.530 0.529 20 0 GCADLP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848006 1201307062 /nfs/dbraw/zinc/30/70/62/1201307062.db2.gz GTTZFOOUCBOPBG-DTZQCDIJSA-N 2 2 382.530 0.529 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC001082590093 1201338329 /nfs/dbraw/zinc/33/83/29/1201338329.db2.gz BQPCTMFPDVVGTE-MUIFIZLQSA-N 2 2 390.532 0.738 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC001082590093 1201338337 /nfs/dbraw/zinc/33/83/37/1201338337.db2.gz BQPCTMFPDVVGTE-MUIFIZLQSA-N 2 2 390.532 0.738 20 0 GCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1C1CC1 ZINC001082590170 1201338358 /nfs/dbraw/zinc/33/83/58/1201338358.db2.gz GTOVOYICTTTWGK-BQGCOEIASA-N 2 2 376.505 0.577 20 0 GCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1C1CC1 ZINC001082590170 1201338363 /nfs/dbraw/zinc/33/83/63/1201338363.db2.gz GTOVOYICTTTWGK-BQGCOEIASA-N 2 2 376.505 0.577 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082590123 1201339345 /nfs/dbraw/zinc/33/93/45/1201339345.db2.gz DOOONCHIIVWKAP-RRCSTGOVSA-N 2 2 376.505 0.348 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082590123 1201339351 /nfs/dbraw/zinc/33/93/51/1201339351.db2.gz DOOONCHIIVWKAP-RRCSTGOVSA-N 2 2 376.505 0.348 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082657258 1201342391 /nfs/dbraw/zinc/34/23/91/1201342391.db2.gz QCRPKQZLEMXFLD-OWYHZJEWSA-N 2 2 391.516 0.236 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000727941889 1201386525 /nfs/dbraw/zinc/38/65/25/1201386525.db2.gz KXOYHIVEDIYGGN-AZUAARDMSA-N 2 2 389.544 0.995 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000727941889 1201386527 /nfs/dbraw/zinc/38/65/27/1201386527.db2.gz KXOYHIVEDIYGGN-AZUAARDMSA-N 2 2 389.544 0.995 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000727941893 1201386708 /nfs/dbraw/zinc/38/67/08/1201386708.db2.gz KXOYHIVEDIYGGN-UYAOXDASSA-N 2 2 389.544 0.995 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000727941893 1201386711 /nfs/dbraw/zinc/38/67/11/1201386711.db2.gz KXOYHIVEDIYGGN-UYAOXDASSA-N 2 2 389.544 0.995 20 0 GCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCc2c[nH+]cn2C)c1 ZINC000290018543 1201401697 /nfs/dbraw/zinc/40/16/97/1201401697.db2.gz JUORHMXXPAUKEZ-UHFFFAOYSA-N 2 2 386.456 0.955 20 0 GCADLP CN(C(=O)/C=C\c1cnn(C)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729979994 1201422979 /nfs/dbraw/zinc/42/29/79/1201422979.db2.gz JYZOQJZCBDXXCR-PLNGDYQASA-N 2 2 388.516 0.130 20 0 GCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001084673053 1201433577 /nfs/dbraw/zinc/43/35/77/1201433577.db2.gz BSOOECSXLQXBTL-YWTNHNAXSA-N 2 2 383.500 0.965 20 0 GCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001084673053 1201433578 /nfs/dbraw/zinc/43/35/78/1201433578.db2.gz BSOOECSXLQXBTL-YWTNHNAXSA-N 2 2 383.500 0.965 20 0 GCADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175075913 1201437447 /nfs/dbraw/zinc/43/74/47/1201437447.db2.gz WOBHTVIAZZRRAG-PKOBYXMFSA-N 2 2 380.533 0.994 20 0 GCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000175914104 1201493106 /nfs/dbraw/zinc/49/31/06/1201493106.db2.gz SYFLFVBRMCKRIT-SJORKVTESA-N 2 2 375.521 0.771 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084963319 1201512589 /nfs/dbraw/zinc/51/25/89/1201512589.db2.gz MCLLIZPEXNHUSG-ANQUJSFKSA-N 2 2 385.468 0.585 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084963319 1201512593 /nfs/dbraw/zinc/51/25/93/1201512593.db2.gz MCLLIZPEXNHUSG-ANQUJSFKSA-N 2 2 385.468 0.585 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cc5n(n4)CCC5)[C@H]3C2)O1 ZINC001084969934 1201514238 /nfs/dbraw/zinc/51/42/38/1201514238.db2.gz FWNITIOTOICWKO-YAJHFMINSA-N 2 2 387.528 0.971 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cc5n(n4)CCC5)[C@H]3C2)O1 ZINC001084969934 1201514242 /nfs/dbraw/zinc/51/42/42/1201514242.db2.gz FWNITIOTOICWKO-YAJHFMINSA-N 2 2 387.528 0.971 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cc5n(n4)CCC5)[C@H]3C2)O1 ZINC001084969934 1201514248 /nfs/dbraw/zinc/51/42/48/1201514248.db2.gz FWNITIOTOICWKO-YAJHFMINSA-N 2 2 387.528 0.971 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc5n(n4)CCC5)[C@H]3C2)O1 ZINC001084969934 1201514253 /nfs/dbraw/zinc/51/42/53/1201514253.db2.gz FWNITIOTOICWKO-YAJHFMINSA-N 2 2 387.528 0.971 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085037216 1201555700 /nfs/dbraw/zinc/55/57/00/1201555700.db2.gz PHKIZAIFGGPTIT-KONPQCLYSA-N 2 2 386.500 0.472 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085037216 1201555704 /nfs/dbraw/zinc/55/57/04/1201555704.db2.gz PHKIZAIFGGPTIT-KONPQCLYSA-N 2 2 386.500 0.472 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)C2)CC1 ZINC000732780568 1201561256 /nfs/dbraw/zinc/56/12/56/1201561256.db2.gz KYMQUMOVTMSRHL-ZDUSSCGKSA-N 2 2 384.477 0.371 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)C2)CC1 ZINC000732780568 1201561259 /nfs/dbraw/zinc/56/12/59/1201561259.db2.gz KYMQUMOVTMSRHL-ZDUSSCGKSA-N 2 2 384.477 0.371 20 0 GCADLP Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)C2=O)cn1 ZINC000746373503 1201915034 /nfs/dbraw/zinc/91/50/34/1201915034.db2.gz TWLCPPIAIGVUSP-SFHVURJKSA-N 2 2 389.500 0.339 20 0 GCADLP CC(=O)N1CCC2(CC1)c1ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc1NC2=O ZINC001169073789 1201931875 /nfs/dbraw/zinc/93/18/75/1201931875.db2.gz LNWSTISLKNYBGB-CQSZACIVSA-N 2 2 383.452 0.567 20 0 GCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC001169074791 1201932077 /nfs/dbraw/zinc/93/20/77/1201932077.db2.gz ODBPZTDKKWVCCH-QGZVFWFLSA-N 3 2 398.511 0.830 20 0 GCADLP CC(=O)N1CC[C@H]([N@@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)C1 ZINC001169548299 1201950821 /nfs/dbraw/zinc/95/08/21/1201950821.db2.gz FRAXVHYYDKYRPP-KRWDZBQOSA-N 2 2 376.505 0.717 20 0 GCADLP CC(=O)N1CC[C@H]([N@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)C1 ZINC001169548299 1201950825 /nfs/dbraw/zinc/95/08/25/1201950825.db2.gz FRAXVHYYDKYRPP-KRWDZBQOSA-N 2 2 376.505 0.717 20 0 GCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301811 1202017803 /nfs/dbraw/zinc/01/78/03/1202017803.db2.gz MAIUORXVZGYSSM-PVAVHDDUSA-N 2 2 376.505 0.306 20 0 GCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301811 1202017804 /nfs/dbraw/zinc/01/78/04/1202017804.db2.gz MAIUORXVZGYSSM-PVAVHDDUSA-N 2 2 376.505 0.306 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCCCOC)CC[N@@H+]1C ZINC001109305031 1202018472 /nfs/dbraw/zinc/01/84/72/1202018472.db2.gz BXRSXKLMCMUESH-ICUGJSFKSA-N 2 2 380.533 0.591 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCCCOC)CC[N@H+]1C ZINC001109305031 1202018475 /nfs/dbraw/zinc/01/84/75/1202018475.db2.gz BXRSXKLMCMUESH-ICUGJSFKSA-N 2 2 380.533 0.591 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCOC)CC[NH+]1C ZINC001109305031 1202018478 /nfs/dbraw/zinc/01/84/78/1202018478.db2.gz BXRSXKLMCMUESH-ICUGJSFKSA-N 2 2 380.533 0.591 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCOC)CC[NH+]1C ZINC001109305031 1202018480 /nfs/dbraw/zinc/01/84/80/1202018480.db2.gz BXRSXKLMCMUESH-ICUGJSFKSA-N 2 2 380.533 0.591 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305768 1202018554 /nfs/dbraw/zinc/01/85/54/1202018554.db2.gz ORUUUJMCNHRYLN-SUJAAXHWSA-N 2 2 379.505 0.284 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305768 1202018557 /nfs/dbraw/zinc/01/85/57/1202018557.db2.gz ORUUUJMCNHRYLN-SUJAAXHWSA-N 2 2 379.505 0.284 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109305768 1202018560 /nfs/dbraw/zinc/01/85/60/1202018560.db2.gz ORUUUJMCNHRYLN-SUJAAXHWSA-N 2 2 379.505 0.284 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109305768 1202018564 /nfs/dbraw/zinc/01/85/64/1202018564.db2.gz ORUUUJMCNHRYLN-SUJAAXHWSA-N 2 2 379.505 0.284 20 0 GCADLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001109402430 1202039199 /nfs/dbraw/zinc/03/91/99/1202039199.db2.gz QMLFNAUIKANWPU-AESZEHBQSA-N 2 2 377.489 0.036 20 0 GCADLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001109402430 1202039200 /nfs/dbraw/zinc/03/92/00/1202039200.db2.gz QMLFNAUIKANWPU-AESZEHBQSA-N 2 2 377.489 0.036 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419550 1202041870 /nfs/dbraw/zinc/04/18/70/1202041870.db2.gz VESVYOSHTFTYEE-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419550 1202041873 /nfs/dbraw/zinc/04/18/73/1202041873.db2.gz VESVYOSHTFTYEE-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109419550 1202041874 /nfs/dbraw/zinc/04/18/74/1202041874.db2.gz VESVYOSHTFTYEE-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109419550 1202041877 /nfs/dbraw/zinc/04/18/77/1202041877.db2.gz VESVYOSHTFTYEE-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428020 1202047147 /nfs/dbraw/zinc/04/71/47/1202047147.db2.gz IRKQVDPENOSULN-AESZEHBQSA-N 2 2 381.521 0.530 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428020 1202047150 /nfs/dbraw/zinc/04/71/50/1202047150.db2.gz IRKQVDPENOSULN-AESZEHBQSA-N 2 2 381.521 0.530 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)COCCOCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000769147292 1202047825 /nfs/dbraw/zinc/04/78/25/1202047825.db2.gz WYCOXLXPAVHMAZ-USTZCAOPSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)COCCOCC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000769147292 1202047827 /nfs/dbraw/zinc/04/78/27/1202047827.db2.gz WYCOXLXPAVHMAZ-USTZCAOPSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COCCOCC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000769147292 1202047828 /nfs/dbraw/zinc/04/78/28/1202047828.db2.gz WYCOXLXPAVHMAZ-USTZCAOPSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COCCOCC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000769147292 1202047831 /nfs/dbraw/zinc/04/78/31/1202047831.db2.gz WYCOXLXPAVHMAZ-USTZCAOPSA-N 2 2 398.548 0.122 20 0 GCADLP NC(=O)C1CC[NH+](CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000746497794 1202056189 /nfs/dbraw/zinc/05/61/89/1202056189.db2.gz LXMVBOFTLIDMKT-OAQYLSRUSA-N 2 2 399.495 0.728 20 0 GCADLP NC(=O)C1CC[NH+](CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000746497794 1202056192 /nfs/dbraw/zinc/05/61/92/1202056192.db2.gz LXMVBOFTLIDMKT-OAQYLSRUSA-N 2 2 399.495 0.728 20 0 GCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109463877 1202056942 /nfs/dbraw/zinc/05/69/42/1202056942.db2.gz BEFNAYTVQMXQHW-YVSFHVDLSA-N 2 2 380.533 0.591 20 0 GCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109463877 1202056945 /nfs/dbraw/zinc/05/69/45/1202056945.db2.gz BEFNAYTVQMXQHW-YVSFHVDLSA-N 2 2 380.533 0.591 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109463877 1202056948 /nfs/dbraw/zinc/05/69/48/1202056948.db2.gz BEFNAYTVQMXQHW-YVSFHVDLSA-N 2 2 380.533 0.591 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109463877 1202056951 /nfs/dbraw/zinc/05/69/51/1202056951.db2.gz BEFNAYTVQMXQHW-YVSFHVDLSA-N 2 2 380.533 0.591 20 0 GCADLP Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000769434666 1202056995 /nfs/dbraw/zinc/05/69/95/1202056995.db2.gz PCKZIOVJCKVNKC-SFHVURJKSA-N 2 2 385.516 0.908 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109466267 1202057062 /nfs/dbraw/zinc/05/70/62/1202057062.db2.gz SDRRQQDJEPIBCS-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109466267 1202057066 /nfs/dbraw/zinc/05/70/66/1202057066.db2.gz SDRRQQDJEPIBCS-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109466267 1202057069 /nfs/dbraw/zinc/05/70/69/1202057069.db2.gz SDRRQQDJEPIBCS-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109466267 1202057072 /nfs/dbraw/zinc/05/70/72/1202057072.db2.gz SDRRQQDJEPIBCS-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001109526265 1202071650 /nfs/dbraw/zinc/07/16/50/1202071650.db2.gz XLEOOZXYPGVPFB-PMPSAXMXSA-N 2 2 380.514 0.738 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001109526265 1202071651 /nfs/dbraw/zinc/07/16/51/1202071651.db2.gz XLEOOZXYPGVPFB-PMPSAXMXSA-N 2 2 380.514 0.738 20 0 GCADLP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639180 1202094335 /nfs/dbraw/zinc/09/43/35/1202094335.db2.gz SBENRLMOTSOHJY-VSZNYVQBSA-N 2 2 380.533 0.684 20 0 GCADLP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639180 1202094336 /nfs/dbraw/zinc/09/43/36/1202094336.db2.gz SBENRLMOTSOHJY-VSZNYVQBSA-N 2 2 380.533 0.684 20 0 GCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639180 1202094340 /nfs/dbraw/zinc/09/43/40/1202094340.db2.gz SBENRLMOTSOHJY-VSZNYVQBSA-N 2 2 380.533 0.684 20 0 GCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639180 1202094342 /nfs/dbraw/zinc/09/43/42/1202094342.db2.gz SBENRLMOTSOHJY-VSZNYVQBSA-N 2 2 380.533 0.684 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643450 1202097050 /nfs/dbraw/zinc/09/70/50/1202097050.db2.gz HYIXGFIUOFBNFT-JCECYMMASA-N 2 2 380.533 0.591 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643450 1202097052 /nfs/dbraw/zinc/09/70/52/1202097052.db2.gz HYIXGFIUOFBNFT-JCECYMMASA-N 2 2 380.533 0.591 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001109643450 1202097054 /nfs/dbraw/zinc/09/70/54/1202097054.db2.gz HYIXGFIUOFBNFT-JCECYMMASA-N 2 2 380.533 0.591 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109643450 1202097056 /nfs/dbraw/zinc/09/70/56/1202097056.db2.gz HYIXGFIUOFBNFT-JCECYMMASA-N 2 2 380.533 0.591 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCOCC2)CC1 ZINC001109649013 1202097985 /nfs/dbraw/zinc/09/79/85/1202097985.db2.gz NWQGPTQWKCDQMH-IKGGRYGDSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCOCC2)CC1 ZINC001109649013 1202097988 /nfs/dbraw/zinc/09/79/88/1202097988.db2.gz NWQGPTQWKCDQMH-IKGGRYGDSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@H]2CCCO2)CC1 ZINC001109650006 1202097995 /nfs/dbraw/zinc/09/79/95/1202097995.db2.gz NRUSOZORZFKRKB-NCOADZHNSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@H]2CCCO2)CC1 ZINC001109650006 1202097999 /nfs/dbraw/zinc/09/79/99/1202097999.db2.gz NRUSOZORZFKRKB-NCOADZHNSA-N 2 2 378.517 0.345 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671636 1202103529 /nfs/dbraw/zinc/10/35/29/1202103529.db2.gz VEVPJXMMIJTUAX-PMPSAXMXSA-N 2 2 379.505 0.286 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671636 1202103531 /nfs/dbraw/zinc/10/35/31/1202103531.db2.gz VEVPJXMMIJTUAX-PMPSAXMXSA-N 2 2 379.505 0.286 20 0 GCADLP COCCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674327 1202103873 /nfs/dbraw/zinc/10/38/73/1202103873.db2.gz BUGWMUUJJBSQGG-PMPSAXMXSA-N 2 2 375.535 0.111 20 0 GCADLP COCCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674327 1202103874 /nfs/dbraw/zinc/10/38/74/1202103874.db2.gz BUGWMUUJJBSQGG-PMPSAXMXSA-N 2 2 375.535 0.111 20 0 GCADLP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109772590 1202120862 /nfs/dbraw/zinc/12/08/62/1202120862.db2.gz OSZBTACVHHTSNC-RANZSIQMSA-N 2 2 377.489 0.708 20 0 GCADLP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109772590 1202120864 /nfs/dbraw/zinc/12/08/64/1202120864.db2.gz OSZBTACVHHTSNC-RANZSIQMSA-N 2 2 377.489 0.708 20 0 GCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000771661465 1202153549 /nfs/dbraw/zinc/15/35/49/1202153549.db2.gz RXABENINSDPSFI-QGZVFWFLSA-N 2 2 398.548 0.939 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981657 1202166707 /nfs/dbraw/zinc/16/67/07/1202166707.db2.gz XQMNLXNAEALELM-KBXIAJHMSA-N 2 2 377.489 0.038 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981657 1202166712 /nfs/dbraw/zinc/16/67/12/1202166712.db2.gz XQMNLXNAEALELM-KBXIAJHMSA-N 2 2 377.489 0.038 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110006169 1202172604 /nfs/dbraw/zinc/17/26/04/1202172604.db2.gz ZTFPYIOQEKHDDO-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110006169 1202172605 /nfs/dbraw/zinc/17/26/05/1202172605.db2.gz ZTFPYIOQEKHDDO-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP C[C@@H](Cc1ccco1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787945369 1205409172 /nfs/dbraw/zinc/40/91/72/1205409172.db2.gz ZTBYJMYPAJJWGR-DOTOQJQBSA-N 2 2 376.501 0.954 20 0 GCADLP C[C@@H](Cc1ccco1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787945369 1205409173 /nfs/dbraw/zinc/40/91/73/1205409173.db2.gz ZTBYJMYPAJJWGR-DOTOQJQBSA-N 2 2 376.501 0.954 20 0 GCADLP COCCNC(=O)C1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790371128 1205463720 /nfs/dbraw/zinc/46/37/20/1205463720.db2.gz TZMSDLBJXFJPSW-LJQANCHMSA-N 2 2 380.489 0.335 20 0 GCADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791623350 1205478819 /nfs/dbraw/zinc/47/88/19/1205478819.db2.gz JKAUNHSHLUJJIX-CRAIPNDOSA-N 2 2 378.521 0.254 20 0 GCADLP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000792011566 1205482969 /nfs/dbraw/zinc/48/29/69/1205482969.db2.gz JPUVWHLCWKPBML-UHFFFAOYSA-N 2 2 384.521 0.768 20 0 GCADLP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000792168846 1205484427 /nfs/dbraw/zinc/48/44/27/1205484427.db2.gz CFUNBMZRPQZVKZ-KRWDZBQOSA-N 2 2 397.564 0.681 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000793706324 1205504648 /nfs/dbraw/zinc/50/46/48/1205504648.db2.gz GKCMUVNZWPEATF-KURKYZTESA-N 2 2 380.533 0.737 20 0 GCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793865350 1205507992 /nfs/dbraw/zinc/50/79/92/1205507992.db2.gz KUFNGDDALGEFOY-HZPDHXFCSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793865350 1205507993 /nfs/dbraw/zinc/50/79/93/1205507993.db2.gz KUFNGDDALGEFOY-HZPDHXFCSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793865350 1205507994 /nfs/dbraw/zinc/50/79/94/1205507994.db2.gz KUFNGDDALGEFOY-HZPDHXFCSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793865350 1205507995 /nfs/dbraw/zinc/50/79/95/1205507995.db2.gz KUFNGDDALGEFOY-HZPDHXFCSA-N 2 2 392.525 0.202 20 0 GCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000793873903 1205508308 /nfs/dbraw/zinc/50/83/08/1205508308.db2.gz DHLHEYZYJCDJNQ-IAGOWNOFSA-N 2 2 398.548 0.843 20 0 GCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000793873903 1205508310 /nfs/dbraw/zinc/50/83/10/1205508310.db2.gz DHLHEYZYJCDJNQ-IAGOWNOFSA-N 2 2 398.548 0.843 20 0 GCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001110102022 1205512801 /nfs/dbraw/zinc/51/28/01/1205512801.db2.gz PLICCUNSJUXYGL-RDBSUJKOSA-N 2 2 376.423 0.872 20 0 GCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNC(=O)C(F)(F)F ZINC001110102022 1205512802 /nfs/dbraw/zinc/51/28/02/1205512802.db2.gz PLICCUNSJUXYGL-RDBSUJKOSA-N 2 2 376.423 0.872 20 0 GCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001110101900 1205512845 /nfs/dbraw/zinc/51/28/45/1205512845.db2.gz KBHUAWMZECVIBJ-XGUBFFRZSA-N 2 2 379.505 0.284 20 0 GCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001110101900 1205512847 /nfs/dbraw/zinc/51/28/47/1205512847.db2.gz KBHUAWMZECVIBJ-XGUBFFRZSA-N 2 2 379.505 0.284 20 0 GCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001110101900 1205512849 /nfs/dbraw/zinc/51/28/49/1205512849.db2.gz KBHUAWMZECVIBJ-XGUBFFRZSA-N 2 2 379.505 0.284 20 0 GCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001110101900 1205512851 /nfs/dbraw/zinc/51/28/51/1205512851.db2.gz KBHUAWMZECVIBJ-XGUBFFRZSA-N 2 2 379.505 0.284 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110102149 1205513648 /nfs/dbraw/zinc/51/36/48/1205513648.db2.gz VEYLXNULKSZGFR-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110102149 1205513650 /nfs/dbraw/zinc/51/36/50/1205513650.db2.gz VEYLXNULKSZGFR-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP CCCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110102149 1205513652 /nfs/dbraw/zinc/51/36/52/1205513652.db2.gz VEYLXNULKSZGFR-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP CCCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110102149 1205513653 /nfs/dbraw/zinc/51/36/53/1205513653.db2.gz VEYLXNULKSZGFR-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001130012109 1205528575 /nfs/dbraw/zinc/52/85/75/1205528575.db2.gz PGLYNYKOQXJXGU-LKNLZZGLSA-N 2 2 375.864 0.909 20 0 GCADLP Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000806210418 1205551653 /nfs/dbraw/zinc/55/16/53/1205551653.db2.gz PSTXPMMMQWPWMY-YJBOKZPZSA-N 2 2 389.500 0.931 20 0 GCADLP Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000806210418 1205551654 /nfs/dbraw/zinc/55/16/54/1205551654.db2.gz PSTXPMMMQWPWMY-YJBOKZPZSA-N 2 2 389.500 0.931 20 0 GCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806210528 1205551922 /nfs/dbraw/zinc/55/19/22/1205551922.db2.gz SLHUPVOBVFSGQP-SOLBZPMBSA-N 3 2 379.549 0.260 20 0 GCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806210528 1205551923 /nfs/dbraw/zinc/55/19/23/1205551923.db2.gz SLHUPVOBVFSGQP-SOLBZPMBSA-N 3 2 379.549 0.260 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806502855 1205557874 /nfs/dbraw/zinc/55/78/74/1205557874.db2.gz JDLJXKMMOPDZNO-WDSOQIARSA-N 3 2 393.576 0.602 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806502855 1205557875 /nfs/dbraw/zinc/55/78/75/1205557875.db2.gz JDLJXKMMOPDZNO-WDSOQIARSA-N 3 2 393.576 0.602 20 0 GCADLP C[NH+](C)CCn1ncc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c1-c1ccccc1 ZINC000806487435 1205558393 /nfs/dbraw/zinc/55/83/93/1205558393.db2.gz YTYXZICSSTXRMB-UHFFFAOYSA-N 2 2 398.511 0.745 20 0 GCADLP C[NH+](C)CCn1ncc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1-c1ccccc1 ZINC000806487435 1205558395 /nfs/dbraw/zinc/55/83/95/1205558395.db2.gz YTYXZICSSTXRMB-UHFFFAOYSA-N 2 2 398.511 0.745 20 0 GCADLP CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103060 1205594392 /nfs/dbraw/zinc/59/43/92/1205594392.db2.gz BVXRVSSXONCLMK-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103060 1205594394 /nfs/dbraw/zinc/59/43/94/1205594394.db2.gz BVXRVSSXONCLMK-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000807926997 1205594527 /nfs/dbraw/zinc/59/45/27/1205594527.db2.gz OUESJWANZMHSIG-DLBZAZTESA-N 2 2 391.516 0.743 20 0 GCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000807926997 1205594530 /nfs/dbraw/zinc/59/45/30/1205594530.db2.gz OUESJWANZMHSIG-DLBZAZTESA-N 2 2 391.516 0.743 20 0 GCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC000808751909 1205611389 /nfs/dbraw/zinc/61/13/89/1205611389.db2.gz ORURXABAQBZVHU-VQIMIIECSA-N 2 2 376.501 0.442 20 0 GCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC000808751909 1205611390 /nfs/dbraw/zinc/61/13/90/1205611390.db2.gz ORURXABAQBZVHU-VQIMIIECSA-N 2 2 376.501 0.442 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808938399 1205614934 /nfs/dbraw/zinc/61/49/34/1205614934.db2.gz VTKYNEGMKFLGIN-UHFFFAOYSA-N 2 2 388.468 0.780 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808938399 1205614935 /nfs/dbraw/zinc/61/49/35/1205614935.db2.gz VTKYNEGMKFLGIN-UHFFFAOYSA-N 2 2 388.468 0.780 20 0 GCADLP CN(C(=O)C(=O)Nc1cnnn1C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000810399506 1205636834 /nfs/dbraw/zinc/63/68/34/1205636834.db2.gz RWEGAPGMTBUWSQ-HZPDHXFCSA-N 2 2 391.520 0.549 20 0 GCADLP CN(C(=O)C(=O)Nc1cnnn1C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000810399506 1205636835 /nfs/dbraw/zinc/63/68/35/1205636835.db2.gz RWEGAPGMTBUWSQ-HZPDHXFCSA-N 2 2 391.520 0.549 20 0 GCADLP CCCc1nnc(SCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1N ZINC000813451398 1205676061 /nfs/dbraw/zinc/67/60/61/1205676061.db2.gz MWNYNOJBKXRUBQ-UHFFFAOYSA-N 2 2 383.566 0.521 20 0 GCADLP CCCc1nnc(SCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1N ZINC000813451398 1205676064 /nfs/dbraw/zinc/67/60/64/1205676064.db2.gz MWNYNOJBKXRUBQ-UHFFFAOYSA-N 2 2 383.566 0.521 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001110103415 1205676783 /nfs/dbraw/zinc/67/67/83/1205676783.db2.gz TUFSTFLKJVGXHT-SQNIBIBYSA-N 2 2 382.468 0.624 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001110103415 1205676784 /nfs/dbraw/zinc/67/67/84/1205676784.db2.gz TUFSTFLKJVGXHT-SQNIBIBYSA-N 2 2 382.468 0.624 20 0 GCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@H]1Cc2cccc(F)c2C1 ZINC001171790473 1205710072 /nfs/dbraw/zinc/71/00/72/1205710072.db2.gz LTIRZAXPQISDJA-KKXDTOCCSA-N 2 2 385.443 0.708 20 0 GCADLP CCN1CC[C@@H]([N@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CC1=O ZINC001172044052 1205712480 /nfs/dbraw/zinc/71/24/80/1205712480.db2.gz RPFLKEAFJOVWIU-MRXNPFEDSA-N 2 2 399.499 0.416 20 0 GCADLP CCN1CC[C@@H]([N@@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CC1=O ZINC001172044052 1205712481 /nfs/dbraw/zinc/71/24/81/1205712481.db2.gz RPFLKEAFJOVWIU-MRXNPFEDSA-N 2 2 399.499 0.416 20 0 GCADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172139019 1205712853 /nfs/dbraw/zinc/71/28/53/1205712853.db2.gz IMMFIMHBUBHKRM-MVCQKVDPSA-N 2 2 388.560 0.869 20 0 GCADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172139019 1205712856 /nfs/dbraw/zinc/71/28/56/1205712856.db2.gz IMMFIMHBUBHKRM-MVCQKVDPSA-N 2 2 388.560 0.869 20 0 GCADLP COC(=O)[C@@H]1C[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173504927 1205721983 /nfs/dbraw/zinc/72/19/83/1205721983.db2.gz WTGOAXPXPGLPKY-IRXDYDNUSA-N 2 2 387.484 0.605 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+]([C@H]1CCC[C@H](n3ncnn3)C1)C2 ZINC001173755168 1205727740 /nfs/dbraw/zinc/72/77/40/1205727740.db2.gz UKOMFGXOGLXGPR-IRXDYDNUSA-N 2 2 395.471 0.864 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+]([C@H]1CCC[C@H](n3ncnn3)C1)C2 ZINC001173755168 1205727742 /nfs/dbraw/zinc/72/77/42/1205727742.db2.gz UKOMFGXOGLXGPR-IRXDYDNUSA-N 2 2 395.471 0.864 20 0 GCADLP O=C(N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001175181118 1205736032 /nfs/dbraw/zinc/73/60/32/1205736032.db2.gz RVLRWGWEZJDXAI-YRXWBPOGSA-N 2 2 381.517 0.360 20 0 GCADLP O=C(N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001175181116 1205736049 /nfs/dbraw/zinc/73/60/49/1205736049.db2.gz RVLRWGWEZJDXAI-XWSJACJDSA-N 2 2 381.517 0.360 20 0 GCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193204 1205744562 /nfs/dbraw/zinc/74/45/62/1205744562.db2.gz UKJGOKXXOPOBPO-BDXSIMOUSA-N 2 2 380.489 0.409 20 0 GCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193204 1205744563 /nfs/dbraw/zinc/74/45/63/1205744563.db2.gz UKJGOKXXOPOBPO-BDXSIMOUSA-N 2 2 380.489 0.409 20 0 GCADLP O=C(Cc1c[nH]c[nH+]1)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001176832357 1205756150 /nfs/dbraw/zinc/75/61/50/1205756150.db2.gz PFUJCKOWXNANBZ-UHFFFAOYSA-N 2 2 375.454 0.798 20 0 GCADLP C[C@H](NC(=O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1)C(=O)N1CCCCC1 ZINC001176879297 1205757459 /nfs/dbraw/zinc/75/74/59/1205757459.db2.gz HVVIGTYFFLHAJL-SFHVURJKSA-N 2 2 394.560 0.816 20 0 GCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177089214 1205761722 /nfs/dbraw/zinc/76/17/22/1205761722.db2.gz UTGKEXQCNGWFDR-ZDUSSCGKSA-N 2 2 375.433 0.629 20 0 GCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177089214 1205761724 /nfs/dbraw/zinc/76/17/24/1205761724.db2.gz UTGKEXQCNGWFDR-ZDUSSCGKSA-N 2 2 375.433 0.629 20 0 GCADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177093217 1205762401 /nfs/dbraw/zinc/76/24/01/1205762401.db2.gz VDYDSIZQMLALTI-CYBMUJFWSA-N 2 2 383.449 0.196 20 0 GCADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177093217 1205762403 /nfs/dbraw/zinc/76/24/03/1205762403.db2.gz VDYDSIZQMLALTI-CYBMUJFWSA-N 2 2 383.449 0.196 20 0 GCADLP CCn1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1 ZINC001178571199 1205789959 /nfs/dbraw/zinc/78/99/59/1205789959.db2.gz KEWRGYNDMLOAJF-MRXNPFEDSA-N 2 2 385.516 0.839 20 0 GCADLP Cc1ccc(N(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761142 1205830113 /nfs/dbraw/zinc/83/01/13/1205830113.db2.gz XHIZRZXDRUDONT-JTDSTZFVSA-N 2 2 375.473 0.360 20 0 GCADLP Cc1ccc(N(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761142 1205830114 /nfs/dbraw/zinc/83/01/14/1205830114.db2.gz XHIZRZXDRUDONT-JTDSTZFVSA-N 2 2 375.473 0.360 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)C1 ZINC001180759352 1205831067 /nfs/dbraw/zinc/83/10/67/1205831067.db2.gz PCFDHRSDRXFHTM-QGZVFWFLSA-N 2 2 386.500 0.549 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)C1 ZINC001180759352 1205831070 /nfs/dbraw/zinc/83/10/70/1205831070.db2.gz PCFDHRSDRXFHTM-QGZVFWFLSA-N 2 2 386.500 0.549 20 0 GCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1(C)CC[NH+](C)CC1 ZINC001181988017 1205852935 /nfs/dbraw/zinc/85/29/35/1205852935.db2.gz ZNVUNMHXXGJNMN-OXJNMPFZSA-N 2 2 381.517 0.973 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[NH+]3C)C1 ZINC001181975266 1205853247 /nfs/dbraw/zinc/85/32/47/1205853247.db2.gz BNDMWUAQYZPDBG-GOSISDBHSA-N 3 2 393.576 0.414 20 0 GCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[NH+]3C)C1 ZINC001181975266 1205853250 /nfs/dbraw/zinc/85/32/50/1205853250.db2.gz BNDMWUAQYZPDBG-GOSISDBHSA-N 3 2 393.576 0.414 20 0 GCADLP CC(C)[NH+]1CC[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001181975266 1205853252 /nfs/dbraw/zinc/85/32/52/1205853252.db2.gz BNDMWUAQYZPDBG-GOSISDBHSA-N 3 2 393.576 0.414 20 0 GCADLP CC(C)[NH+]1CC[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001181975266 1205853253 /nfs/dbraw/zinc/85/32/53/1205853253.db2.gz BNDMWUAQYZPDBG-GOSISDBHSA-N 3 2 393.576 0.414 20 0 GCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001181975914 1205853380 /nfs/dbraw/zinc/85/33/80/1205853380.db2.gz DXTPITKDCKEHNN-INIZCTEOSA-N 2 2 384.484 0.951 20 0 GCADLP CC(C)[N@H+]1CC[C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001181975914 1205853381 /nfs/dbraw/zinc/85/33/81/1205853381.db2.gz DXTPITKDCKEHNN-INIZCTEOSA-N 2 2 384.484 0.951 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)C1=O ZINC001182025396 1205853622 /nfs/dbraw/zinc/85/36/22/1205853622.db2.gz YWZCBCJPCZPOBV-KRWDZBQOSA-N 2 2 394.560 0.888 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)C1=O ZINC001182025396 1205853625 /nfs/dbraw/zinc/85/36/25/1205853625.db2.gz YWZCBCJPCZPOBV-KRWDZBQOSA-N 2 2 394.560 0.888 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)n2cc(C[NH3+])cnc2=N)C1 ZINC001182304541 1205863911 /nfs/dbraw/zinc/86/39/11/1205863911.db2.gz BMKGKJHZKILNEI-AWEZNQCLSA-N 2 2 378.477 0.793 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)n2cc(C[NH3+])cnc2=N)C1 ZINC001182304541 1205863913 /nfs/dbraw/zinc/86/39/13/1205863913.db2.gz BMKGKJHZKILNEI-AWEZNQCLSA-N 2 2 378.477 0.793 20 0 GCADLP COC(=O)C(C)(C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001182528981 1205876079 /nfs/dbraw/zinc/87/60/79/1205876079.db2.gz RHQYLAULTKSRGK-UHFFFAOYSA-N 2 2 396.532 0.273 20 0 GCADLP COC(=O)C(C)(C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001182528981 1205876080 /nfs/dbraw/zinc/87/60/80/1205876080.db2.gz RHQYLAULTKSRGK-UHFFFAOYSA-N 2 2 396.532 0.273 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C=CN=C4N=CC=C43)CC2)C1=O ZINC001183586917 1205896061 /nfs/dbraw/zinc/89/60/61/1205896061.db2.gz CXHCIOQMBRVMOO-QGZVFWFLSA-N 2 2 398.511 0.236 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C=CN=C4N=CC=C43)CC2)C1=O ZINC001183586917 1205896063 /nfs/dbraw/zinc/89/60/63/1205896063.db2.gz CXHCIOQMBRVMOO-QGZVFWFLSA-N 2 2 398.511 0.236 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[C@]34CCCOC4)CC2)C1=O ZINC001183714997 1205898991 /nfs/dbraw/zinc/89/89/91/1205898991.db2.gz LESXSVNGFOLPDW-PXNSSMCTSA-N 2 2 392.544 0.500 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[C@]34CCCOC4)CC2)C1=O ZINC001183714997 1205898992 /nfs/dbraw/zinc/89/89/92/1205898992.db2.gz LESXSVNGFOLPDW-PXNSSMCTSA-N 2 2 392.544 0.500 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCCC[C@@H]3CO)CC2)C1=O ZINC001184159957 1205906268 /nfs/dbraw/zinc/90/62/68/1205906268.db2.gz FTBDIEFWRFDGAM-MSOLQXFVSA-N 2 2 394.560 0.482 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCCC[C@@H]3CO)CC2)C1=O ZINC001184159957 1205906269 /nfs/dbraw/zinc/90/62/69/1205906269.db2.gz FTBDIEFWRFDGAM-MSOLQXFVSA-N 2 2 394.560 0.482 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)C[NH+](Cc1ccoc1)CCO2 ZINC001185252325 1205919375 /nfs/dbraw/zinc/91/93/75/1205919375.db2.gz RZPAVOGSBSDHMF-GOSISDBHSA-N 2 2 376.501 0.719 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)C[NH+](Cc1ccoc1)CCO2 ZINC001185252325 1205919376 /nfs/dbraw/zinc/91/93/76/1205919376.db2.gz RZPAVOGSBSDHMF-GOSISDBHSA-N 2 2 376.501 0.719 20 0 GCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001185252325 1205919377 /nfs/dbraw/zinc/91/93/77/1205919377.db2.gz RZPAVOGSBSDHMF-GOSISDBHSA-N 2 2 376.501 0.719 20 0 GCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001185252325 1205919378 /nfs/dbraw/zinc/91/93/78/1205919378.db2.gz RZPAVOGSBSDHMF-GOSISDBHSA-N 2 2 376.501 0.719 20 0 GCADLP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2C[N@H+](C)CCN2C)S(C)(=O)=O)c(F)c1 ZINC001185269145 1205920247 /nfs/dbraw/zinc/92/02/47/1205920247.db2.gz JXMRUKUKJCXUMJ-QMTHXVAHSA-N 2 2 390.456 0.523 20 0 GCADLP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2C[N@@H+](C)CCN2C)S(C)(=O)=O)c(F)c1 ZINC001185269145 1205920249 /nfs/dbraw/zinc/92/02/49/1205920249.db2.gz JXMRUKUKJCXUMJ-QMTHXVAHSA-N 2 2 390.456 0.523 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)C1 ZINC001186106401 1205935101 /nfs/dbraw/zinc/93/51/01/1205935101.db2.gz NJQNRUPPXKEASO-AWEZNQCLSA-N 2 2 386.452 0.338 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)C1 ZINC001186106401 1205935103 /nfs/dbraw/zinc/93/51/03/1205935103.db2.gz NJQNRUPPXKEASO-AWEZNQCLSA-N 2 2 386.452 0.338 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N(c2nc(C)cc(OC)n2)C2CC[NH2+]CC2)C1 ZINC001186106907 1205935144 /nfs/dbraw/zinc/93/51/44/1205935144.db2.gz JVKCKZRCPOPFMM-AWEZNQCLSA-N 2 2 391.472 0.374 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(c2nc(C)cc(OC)n2)C2CC[NH2+]CC2)C1 ZINC001186106907 1205935146 /nfs/dbraw/zinc/93/51/46/1205935146.db2.gz JVKCKZRCPOPFMM-AWEZNQCLSA-N 2 2 391.472 0.374 20 0 GCADLP CCc1n[nH]cc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001190135370 1206026033 /nfs/dbraw/zinc/02/60/33/1206026033.db2.gz CIAMICSEPPCZSG-UHFFFAOYSA-N 2 2 376.505 0.283 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435236 1206055149 /nfs/dbraw/zinc/05/51/49/1206055149.db2.gz VAFGHKJZVUJWSQ-HZPDHXFCSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435236 1206055154 /nfs/dbraw/zinc/05/51/54/1206055154.db2.gz VAFGHKJZVUJWSQ-HZPDHXFCSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435236 1206055158 /nfs/dbraw/zinc/05/51/58/1206055158.db2.gz VAFGHKJZVUJWSQ-HZPDHXFCSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435236 1206055160 /nfs/dbraw/zinc/05/51/60/1206055160.db2.gz VAFGHKJZVUJWSQ-HZPDHXFCSA-N 2 2 399.536 0.557 20 0 GCADLP c1ccc(N2CCN(c3cc(N4CCN5CC[NH2+]C[C@H]5C4)nc[nH+]3)CC2)cc1 ZINC001164408180 718841435 /nfs/dbraw/zinc/84/14/35/718841435.db2.gz YPNYQSKHXCQHET-IBGZPJMESA-N 2 2 379.512 0.897 20 0 GCADLP CC(C)[N@H+](C)Cc1nn(-c2ccnc(N3CC[NH+](C)CC3)n2)c2c1CC[NH2+]C2 ZINC001164679554 719644457 /nfs/dbraw/zinc/64/44/57/719644457.db2.gz GIEQDBRZFJVODR-UHFFFAOYSA-N 3 2 384.532 0.900 20 0 GCADLP CC(C)[N@@H+](C)Cc1nn(-c2ccnc(N3CC[NH+](C)CC3)n2)c2c1CC[NH2+]C2 ZINC001164679554 719644467 /nfs/dbraw/zinc/64/44/67/719644467.db2.gz GIEQDBRZFJVODR-UHFFFAOYSA-N 3 2 384.532 0.900 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@H]4OCCN(c5ncccn5)[C@@H]4C3)[nH+]2)CC1 ZINC001164690841 719800133 /nfs/dbraw/zinc/80/01/33/719800133.db2.gz ATHCOLSLDNBMGO-IAGOWNOFSA-N 2 2 381.484 0.717 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@H]4OCCN(c5ncccn5)[C@H]4C3)[nH+]2)CC1 ZINC001164690840 719800198 /nfs/dbraw/zinc/80/01/98/719800198.db2.gz ATHCOLSLDNBMGO-DLBZAZTESA-N 2 2 381.484 0.717 20 0 GCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CC[NH2+]CC2 ZINC001164697349 719838962 /nfs/dbraw/zinc/83/89/62/719838962.db2.gz CSHBFCYBOJXULW-MGPUTAFESA-N 2 2 389.500 0.398 20 0 GCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001164703916 719844453 /nfs/dbraw/zinc/84/44/53/719844453.db2.gz REQUWYYBSCIQHM-DNVCBOLYSA-N 2 2 375.473 0.355 20 0 GCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001164697789 719861307 /nfs/dbraw/zinc/86/13/07/719861307.db2.gz AQHFNMCWBPECGR-HNAYVOBHSA-N 2 2 375.473 0.355 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164707995 719930991 /nfs/dbraw/zinc/93/09/91/719930991.db2.gz ACUZKMWRQYLQRP-UHFFFAOYSA-N 2 2 397.527 0.827 20 0 GCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)c(C4C[NH2+]C4)n3)C2)C1 ZINC001164726071 720310022 /nfs/dbraw/zinc/31/00/22/720310022.db2.gz XTCWPOLKSRBYSG-FQEVSTJZSA-N 2 2 388.516 0.137 20 0 GCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)c(C4C[NH2+]C4)n3)C2)C1 ZINC001164726071 720310026 /nfs/dbraw/zinc/31/00/26/720310026.db2.gz XTCWPOLKSRBYSG-FQEVSTJZSA-N 2 2 388.516 0.137 20 0 GCADLP CC(=O)N(C)Cc1nnc2n1CCCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164824273 720414280 /nfs/dbraw/zinc/41/42/80/720414280.db2.gz KENCBIPPIJCXAB-UHFFFAOYSA-N 2 2 398.515 0.814 20 0 GCADLP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164744171 720726479 /nfs/dbraw/zinc/72/64/79/720726479.db2.gz RIWQEJRLBPBHJQ-JKSUJKDBSA-N 2 2 383.456 0.445 20 0 GCADLP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164744171 720726485 /nfs/dbraw/zinc/72/64/85/720726485.db2.gz RIWQEJRLBPBHJQ-JKSUJKDBSA-N 2 2 383.456 0.445 20 0 GCADLP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164744165 720726629 /nfs/dbraw/zinc/72/66/29/720726629.db2.gz RIWQEJRLBPBHJQ-CVEARBPZSA-N 2 2 383.456 0.445 20 0 GCADLP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164744165 720726640 /nfs/dbraw/zinc/72/66/40/720726640.db2.gz RIWQEJRLBPBHJQ-CVEARBPZSA-N 2 2 383.456 0.445 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@H]43)[nH+]2)CC1 ZINC001164846218 720802047 /nfs/dbraw/zinc/80/20/47/720802047.db2.gz IOYYVJGYUPXMPU-OKZBNKHCSA-N 2 2 385.512 0.953 20 0 GCADLP CS(=O)(=O)c1nc2c(c(N3CC[NH+](C4CCCC4)CC3)n1)CC[NH2+]CC2 ZINC001165028613 721852610 /nfs/dbraw/zinc/85/26/10/721852610.db2.gz BZXDOQAMCVWVKJ-UHFFFAOYSA-N 2 2 379.530 0.633 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001571264207 945477310 /nfs/dbraw/zinc/47/73/10/945477310.db2.gz IRCOOIOSAMOWTP-QGZVFWFLSA-N 2 2 385.472 0.278 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001571264207 945477316 /nfs/dbraw/zinc/47/73/16/945477316.db2.gz IRCOOIOSAMOWTP-QGZVFWFLSA-N 2 2 385.472 0.278 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001571264529 945485160 /nfs/dbraw/zinc/48/51/60/945485160.db2.gz QRWSGPUVBSMDOS-IXDOHACOSA-N 2 2 385.472 0.276 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001571264529 945485163 /nfs/dbraw/zinc/48/51/63/945485163.db2.gz QRWSGPUVBSMDOS-IXDOHACOSA-N 2 2 385.472 0.276 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001571264529 945485165 /nfs/dbraw/zinc/48/51/65/945485165.db2.gz QRWSGPUVBSMDOS-IXDOHACOSA-N 2 2 385.472 0.276 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001571264529 945485167 /nfs/dbraw/zinc/48/51/67/945485167.db2.gz QRWSGPUVBSMDOS-IXDOHACOSA-N 2 2 385.472 0.276 20 0 GCADLP O=C(CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCOCC1 ZINC000826407230 948240042 /nfs/dbraw/zinc/24/00/42/948240042.db2.gz FYTNZTBAPHKGHH-UHFFFAOYSA-N 2 2 399.499 0.670 20 0 GCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574920226 948891669 /nfs/dbraw/zinc/89/16/69/948891669.db2.gz GFXHPVOXORGXEV-GFCCVEGCSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920618 948907378 /nfs/dbraw/zinc/90/73/78/948907378.db2.gz NBQBRTSXHUOBER-GFCCVEGCSA-N 2 2 386.435 0.966 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574427718 948911078 /nfs/dbraw/zinc/91/10/78/948911078.db2.gz MENNPNZBWPDBQM-ZDUSSCGKSA-N 2 2 383.460 0.963 20 0 GCADLP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574713911 949618200 /nfs/dbraw/zinc/61/82/00/949618200.db2.gz ZIOIHWDPOMCENE-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574713911 949618212 /nfs/dbraw/zinc/61/82/12/949618212.db2.gz ZIOIHWDPOMCENE-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574728464 949983192 /nfs/dbraw/zinc/98/31/92/949983192.db2.gz ATZAFQOVTWAUGG-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574728486 949991132 /nfs/dbraw/zinc/99/11/32/949991132.db2.gz BJRAWTYSOAEHMJ-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575901844 950240085 /nfs/dbraw/zinc/24/00/85/950240085.db2.gz QQQYPLUQNMJNTK-MLGOLLRUSA-N 2 2 384.419 0.982 20 0 GCADLP C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574497906 950252093 /nfs/dbraw/zinc/25/20/93/950252093.db2.gz GABLOHOHZZNJEV-VXGBXAGGSA-N 2 2 390.473 0.343 20 0 GCADLP C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574498328 950271101 /nfs/dbraw/zinc/27/11/01/950271101.db2.gz MGPXYNMWDOWPEY-BBRMVZONSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575908591 950369160 /nfs/dbraw/zinc/36/91/60/950369160.db2.gz VOTAGXNWVMMFEG-WBMJQRKESA-N 2 2 384.419 0.982 20 0 GCADLP CC1CC[NH+](CC(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576204746 950474014 /nfs/dbraw/zinc/47/40/14/950474014.db2.gz BNSQXYALDUGQGT-KRWDZBQOSA-N 2 2 384.488 0.722 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205847 950542351 /nfs/dbraw/zinc/54/23/51/950542351.db2.gz QIWPUXNPVYJFNQ-CABCVRRESA-N 2 2 384.488 0.936 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205847 950542357 /nfs/dbraw/zinc/54/23/57/950542357.db2.gz QIWPUXNPVYJFNQ-CABCVRRESA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206339 950569273 /nfs/dbraw/zinc/56/92/73/950569273.db2.gz WSLSQTDOPQTBDP-GJZGRUSLSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206339 950569292 /nfs/dbraw/zinc/56/92/92/950569292.db2.gz WSLSQTDOPQTBDP-GJZGRUSLSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206338 950573257 /nfs/dbraw/zinc/57/32/57/950573257.db2.gz WSLSQTDOPQTBDP-CABCVRRESA-N 2 2 384.488 0.936 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206338 950573272 /nfs/dbraw/zinc/57/32/72/950573272.db2.gz WSLSQTDOPQTBDP-CABCVRRESA-N 2 2 384.488 0.936 20 0 GCADLP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576207403 950595396 /nfs/dbraw/zinc/59/53/96/950595396.db2.gz HIJYFTYZCCSOMC-GASCZTMLSA-N 2 2 384.488 0.722 20 0 GCADLP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1c[nH+]cn1C ZINC001575926774 950724478 /nfs/dbraw/zinc/72/44/78/950724478.db2.gz LVWSNIQFZGYPDG-DOMZBBRYSA-N 2 2 381.444 0.451 20 0 GCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575077506 951669378 /nfs/dbraw/zinc/66/93/78/951669378.db2.gz FTRPZEQILCTBDH-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001575144078 952161588 /nfs/dbraw/zinc/16/15/88/952161588.db2.gz FZABYRQZNWUSKP-GOSISDBHSA-N 2 2 381.444 0.667 20 0 GCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001575145013 952177338 /nfs/dbraw/zinc/17/73/38/952177338.db2.gz OEUJNPPKWMVAPR-CHWSQXEVSA-N 2 2 381.444 0.402 20 0 GCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001575145496 952185986 /nfs/dbraw/zinc/18/59/86/952185986.db2.gz YSDKLVWQBFSBTO-OLZOCXBDSA-N 2 2 381.444 0.402 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120231 952502240 /nfs/dbraw/zinc/50/22/40/952502240.db2.gz JXKCMCPGCGRUDO-OLZOCXBDSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120231 952502246 /nfs/dbraw/zinc/50/22/46/952502246.db2.gz JXKCMCPGCGRUDO-OLZOCXBDSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120231 952502252 /nfs/dbraw/zinc/50/22/52/952502252.db2.gz JXKCMCPGCGRUDO-OLZOCXBDSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120231 952502257 /nfs/dbraw/zinc/50/22/57/952502257.db2.gz JXKCMCPGCGRUDO-OLZOCXBDSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575202633 952515206 /nfs/dbraw/zinc/51/52/06/952515206.db2.gz WOJCZJLLELLIEQ-MLGOLLRUSA-N 2 2 384.444 0.035 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571146561 952649845 /nfs/dbraw/zinc/64/98/45/952649845.db2.gz IQWNRDCUUDUUOW-XJKSGUPXSA-N 2 2 379.428 0.586 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571158092 952710154 /nfs/dbraw/zinc/71/01/54/952710154.db2.gz QTQGMUIVIDJFTL-HALDLXJZSA-N 2 2 379.428 0.326 20 0 GCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166618 952762655 /nfs/dbraw/zinc/76/26/55/952762655.db2.gz NSVLWEQKPMJOFC-DYVFJYSZSA-N 2 2 380.456 0.779 20 0 GCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166622 952762857 /nfs/dbraw/zinc/76/28/57/952762857.db2.gz NSVLWEQKPMJOFC-GUYCJALGSA-N 2 2 380.456 0.779 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571188983 952922977 /nfs/dbraw/zinc/92/29/77/952922977.db2.gz LECBHLQERHGVON-IUODEOHRSA-N 2 2 381.444 0.357 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571212483 953089244 /nfs/dbraw/zinc/08/92/44/953089244.db2.gz MJUWNSVAZKVIIN-APWZRJJASA-N 2 2 382.472 0.785 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571212483 953089249 /nfs/dbraw/zinc/08/92/49/953089249.db2.gz MJUWNSVAZKVIIN-APWZRJJASA-N 2 2 382.472 0.785 20 0 GCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C1 ZINC001571247644 953283959 /nfs/dbraw/zinc/28/39/59/953283959.db2.gz BKINZXFSJSPGBH-TXEJJXNPSA-N 2 2 384.469 0.784 20 0 GCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C1 ZINC001571247644 953283962 /nfs/dbraw/zinc/28/39/62/953283962.db2.gz BKINZXFSJSPGBH-TXEJJXNPSA-N 2 2 384.469 0.784 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@H+](C)C[C@@H](C(=O)[O-])C3)CC2)CC1 ZINC001598585866 993381724 /nfs/dbraw/zinc/38/17/24/993381724.db2.gz OBGYFJTZEXJXLC-OAHLLOKOSA-N 2 2 381.521 0.203 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@@H+](C)C[C@@H](C(=O)[O-])C3)CC2)CC1 ZINC001598585866 993381730 /nfs/dbraw/zinc/38/17/30/993381730.db2.gz OBGYFJTZEXJXLC-OAHLLOKOSA-N 2 2 381.521 0.203 20 0 GCADLP C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000583990150 530127926 /nfs/dbraw/zinc/12/79/26/530127926.db2.gz IWIPGUURRQXNMA-ZDUSSCGKSA-N 2 2 379.885 0.802 20 0 GCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000583990150 530127929 /nfs/dbraw/zinc/12/79/29/530127929.db2.gz IWIPGUURRQXNMA-ZDUSSCGKSA-N 2 2 379.885 0.802 20 0 GCADLP C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584230467 530206065 /nfs/dbraw/zinc/20/60/65/530206065.db2.gz HIKIDYVHRQIEHC-VHSXEESVSA-N 2 2 389.319 0.730 20 0 GCADLP C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584230467 530206066 /nfs/dbraw/zinc/20/60/66/530206066.db2.gz HIKIDYVHRQIEHC-VHSXEESVSA-N 2 2 389.319 0.730 20 0 GCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C[C@@H](C)O1 ZINC000569351285 530228125 /nfs/dbraw/zinc/22/81/25/530228125.db2.gz WWVNOKYACCRHSW-IIAWOOMASA-N 2 2 375.535 0.003 20 0 GCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571656711 530323038 /nfs/dbraw/zinc/32/30/38/530323038.db2.gz DKLJQRQYHNICQU-CHWSQXEVSA-N 2 2 393.535 0.286 20 0 GCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571656711 530323041 /nfs/dbraw/zinc/32/30/41/530323041.db2.gz DKLJQRQYHNICQU-CHWSQXEVSA-N 2 2 393.535 0.286 20 0 GCADLP C[N@H+]1CCN(C(=O)COc2cccc(I)c2)[C@H](C[NH3+])C1 ZINC000570799499 530325121 /nfs/dbraw/zinc/32/51/21/530325121.db2.gz RIRTUTSMGIBVFH-GFCCVEGCSA-N 2 2 389.237 0.771 20 0 GCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000562996534 530346907 /nfs/dbraw/zinc/34/69/07/530346907.db2.gz LLSDWCOUIPPCRJ-GUTXKFCHSA-N 2 2 391.559 0.395 20 0 GCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000562996534 530346908 /nfs/dbraw/zinc/34/69/08/530346908.db2.gz LLSDWCOUIPPCRJ-GUTXKFCHSA-N 2 2 391.559 0.395 20 0 GCADLP C[C@H](CC[NH+](C)C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000580305661 530353794 /nfs/dbraw/zinc/35/37/94/530353794.db2.gz OSZPQHUJZJOQKL-CQSZACIVSA-N 2 2 391.559 0.640 20 0 GCADLP O=C1C[C@H]([NH2+]Cc2cncc(Br)c2)CN1CC[NH+]1CCOCC1 ZINC000183714727 530374936 /nfs/dbraw/zinc/37/49/36/530374936.db2.gz ONFDYFSYSBCIQY-HNNXBMFYSA-N 2 2 383.290 0.867 20 0 GCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000601326299 530377571 /nfs/dbraw/zinc/37/75/71/530377571.db2.gz LQYBHWUVOPSVKD-ZDUSSCGKSA-N 2 2 391.257 0.174 20 0 GCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000460264414 530370984 /nfs/dbraw/zinc/37/09/84/530370984.db2.gz JKUWMQOWYGBBEC-OAHLLOKOSA-N 2 2 382.262 0.963 20 0 GCADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000460264414 530370986 /nfs/dbraw/zinc/37/09/86/530370986.db2.gz JKUWMQOWYGBBEC-OAHLLOKOSA-N 2 2 382.262 0.963 20 0 GCADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874707 530443036 /nfs/dbraw/zinc/44/30/36/530443036.db2.gz PVFCEWSJQYWJBW-UKRRQHHQSA-N 2 2 395.301 0.651 20 0 GCADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874707 530443038 /nfs/dbraw/zinc/44/30/38/530443038.db2.gz PVFCEWSJQYWJBW-UKRRQHHQSA-N 2 2 395.301 0.651 20 0 GCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(Br)cc1 ZINC000594874639 530443092 /nfs/dbraw/zinc/44/30/92/530443092.db2.gz LIWJEHQZBSTTIH-NILFDRSVSA-N 2 2 395.301 0.870 20 0 GCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(Br)cc1 ZINC000594874639 530443093 /nfs/dbraw/zinc/44/30/93/530443093.db2.gz LIWJEHQZBSTTIH-NILFDRSVSA-N 2 2 395.301 0.870 20 0 GCADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594874708 530443212 /nfs/dbraw/zinc/44/32/12/530443212.db2.gz PVFCEWSJQYWJBW-ZFWWWQNUSA-N 2 2 395.301 0.651 20 0 GCADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594874708 530443217 /nfs/dbraw/zinc/44/32/17/530443217.db2.gz PVFCEWSJQYWJBW-ZFWWWQNUSA-N 2 2 395.301 0.651 20 0 GCADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC000296542365 530470716 /nfs/dbraw/zinc/47/07/16/530470716.db2.gz BNBMSRHRDHKHIU-KRWDZBQOSA-N 2 2 387.933 0.731 20 0 GCADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC000296542370 530470894 /nfs/dbraw/zinc/47/08/94/530470894.db2.gz BNBMSRHRDHKHIU-QGZVFWFLSA-N 2 2 387.933 0.731 20 0 GCADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000563521581 530526674 /nfs/dbraw/zinc/52/66/74/530526674.db2.gz YDQXZSWRUVKMLG-CQSZACIVSA-N 2 2 398.305 0.463 20 0 GCADLP C[N@H+]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000563521581 530526675 /nfs/dbraw/zinc/52/66/75/530526675.db2.gz YDQXZSWRUVKMLG-CQSZACIVSA-N 2 2 398.305 0.463 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000629607622 530593906 /nfs/dbraw/zinc/59/39/06/530593906.db2.gz XAQAAMUAOQEQHG-SWLSCSKDSA-N 2 2 386.290 0.600 20 0 GCADLP C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[N@@H+]1C1CC1 ZINC000573983017 530585617 /nfs/dbraw/zinc/58/56/17/530585617.db2.gz ZHKAHEALIHTNMM-NEPJUHHUSA-N 2 2 391.519 0.086 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CS(=O)(=O)CC ZINC000465915659 530667816 /nfs/dbraw/zinc/66/78/16/530667816.db2.gz AMZNKRHKWHZPFO-CVEARBPZSA-N 2 2 376.567 0.867 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CS(=O)(=O)CC ZINC000465915659 530667819 /nfs/dbraw/zinc/66/78/19/530667819.db2.gz AMZNKRHKWHZPFO-CVEARBPZSA-N 2 2 376.567 0.867 20 0 GCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(S(C)(=O)=O)s3)cn2)CC1 ZINC000469045278 530685166 /nfs/dbraw/zinc/68/51/66/530685166.db2.gz ONMFMARYQJOHOI-UHFFFAOYSA-N 2 2 381.527 0.983 20 0 GCADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000362853708 530707861 /nfs/dbraw/zinc/70/78/61/530707861.db2.gz VEOVRZUQBWEQNI-QGZVFWFLSA-N 2 2 376.567 0.043 20 0 GCADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000362853708 530707863 /nfs/dbraw/zinc/70/78/63/530707863.db2.gz VEOVRZUQBWEQNI-QGZVFWFLSA-N 2 2 376.567 0.043 20 0 GCADLP C[C@@H]1C[NH+](CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000579236040 530740011 /nfs/dbraw/zinc/74/00/11/530740011.db2.gz STDZUZBTUCAXAS-HUUCEWRRSA-N 2 2 375.535 0.159 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@H](C[NH3+])C1 ZINC000579350931 530741522 /nfs/dbraw/zinc/74/15/22/530741522.db2.gz ABEWDJDCIUINMO-CABCVRRESA-N 2 2 395.301 0.903 20 0 GCADLP C[C@@]1(O)CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000373429600 530780492 /nfs/dbraw/zinc/78/04/92/530780492.db2.gz CVFZJHMPJJSXQM-QZTJIDSGSA-N 2 2 376.563 0.875 20 0 GCADLP C[C@@]1(O)CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000373429600 530780494 /nfs/dbraw/zinc/78/04/94/530780494.db2.gz CVFZJHMPJJSXQM-QZTJIDSGSA-N 2 2 376.563 0.875 20 0 GCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000654857200 530787938 /nfs/dbraw/zinc/78/79/38/530787938.db2.gz HHMQUSYUPTUKEC-UHFFFAOYSA-N 2 2 388.921 0.743 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000674037066 530830470 /nfs/dbraw/zinc/83/04/70/530830470.db2.gz VECLMHFSDWHMHG-HNNXBMFYSA-N 2 2 376.567 0.867 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000674037066 530830471 /nfs/dbraw/zinc/83/04/71/530830471.db2.gz VECLMHFSDWHMHG-HNNXBMFYSA-N 2 2 376.567 0.867 20 0 GCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000376949369 530820343 /nfs/dbraw/zinc/82/03/43/530820343.db2.gz OGIRSONNKOKPOV-IKGGRYGDSA-N 2 2 375.535 0.222 20 0 GCADLP CC[N@@H+]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@@H]1C ZINC000583155497 530860592 /nfs/dbraw/zinc/86/05/92/530860592.db2.gz UHLNFCWLTUPCLW-STQMWFEESA-N 2 2 393.535 0.286 20 0 GCADLP CC[N@H+]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@@H]1C ZINC000583155497 530860596 /nfs/dbraw/zinc/86/05/96/530860596.db2.gz UHLNFCWLTUPCLW-STQMWFEESA-N 2 2 393.535 0.286 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000653060133 530862193 /nfs/dbraw/zinc/86/21/93/530862193.db2.gz ZRGKGGJDICZQCL-LLVKDONJSA-N 2 2 394.950 0.513 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000653061393 530862233 /nfs/dbraw/zinc/86/22/33/530862233.db2.gz NVQIHGAFQPWWBZ-LBPRGKRZSA-N 2 2 382.408 0.745 20 0 GCADLP CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000656375578 530840892 /nfs/dbraw/zinc/84/08/92/530840892.db2.gz ZJMLTRFSWXYGIQ-ZDUSSCGKSA-N 2 2 393.535 0.286 20 0 GCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419850130 530963402 /nfs/dbraw/zinc/96/34/02/530963402.db2.gz ZYQDHVVRFRLMLR-LLVKDONJSA-N 2 2 380.246 0.581 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419934666 530964263 /nfs/dbraw/zinc/96/42/63/530964263.db2.gz RLHHYLVAWRQZBL-UHFFFAOYSA-N 2 2 382.262 0.829 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)[nH+]c12 ZINC000419036621 530952854 /nfs/dbraw/zinc/95/28/54/530952854.db2.gz BSSUHONRSWQNFT-CYBMUJFWSA-N 2 2 394.273 0.875 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N[C@@H](C)CC[NH3+])[nH+]c12 ZINC000419036585 530952977 /nfs/dbraw/zinc/95/29/77/530952977.db2.gz BLVLTJLRRGETKY-NSHDSACASA-N 2 2 396.289 0.917 20 0 GCADLP C[NH2+]CCNC(=O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419038338 530953259 /nfs/dbraw/zinc/95/32/59/530953259.db2.gz FMFBEINSSDFWGM-UHFFFAOYSA-N 2 2 382.262 0.400 20 0 GCADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420357707 530967635 /nfs/dbraw/zinc/96/76/35/530967635.db2.gz SPKBQZIKFWDJNU-CABZTGNLSA-N 2 2 377.226 0.870 20 0 GCADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420357707 530967640 /nfs/dbraw/zinc/96/76/40/530967640.db2.gz SPKBQZIKFWDJNU-CABZTGNLSA-N 2 2 377.226 0.870 20 0 GCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000659682030 530996181 /nfs/dbraw/zinc/99/61/81/530996181.db2.gz FLXRPGZZGAWDFL-SNVBAGLBSA-N 2 2 382.262 0.746 20 0 GCADLP CNS(=O)(=O)c1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000663536307 531034367 /nfs/dbraw/zinc/03/43/67/531034367.db2.gz MGOCTRWKQRCRIB-UHFFFAOYSA-N 2 2 391.563 0.339 20 0 GCADLP CNS(=O)(=O)c1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000663536307 531034371 /nfs/dbraw/zinc/03/43/71/531034371.db2.gz MGOCTRWKQRCRIB-UHFFFAOYSA-N 2 2 391.563 0.339 20 0 GCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000422545979 531013773 /nfs/dbraw/zinc/01/37/73/531013773.db2.gz SVSWUORRQQMXRZ-GFCCVEGCSA-N 2 2 394.273 0.923 20 0 GCADLP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000422545979 531013776 /nfs/dbraw/zinc/01/37/76/531013776.db2.gz SVSWUORRQQMXRZ-GFCCVEGCSA-N 2 2 394.273 0.923 20 0 GCADLP COC(=O)c1nscc1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000540332418 531049168 /nfs/dbraw/zinc/04/91/68/531049168.db2.gz APIGZLOWEOYNAY-UHFFFAOYSA-N 2 2 390.531 0.576 20 0 GCADLP COC(=O)c1nscc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540332418 531049169 /nfs/dbraw/zinc/04/91/69/531049169.db2.gz APIGZLOWEOYNAY-UHFFFAOYSA-N 2 2 390.531 0.576 20 0 GCADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430622514 531113254 /nfs/dbraw/zinc/11/32/54/531113254.db2.gz FNDNQQIVNWBANC-JSGCOSHPSA-N 2 2 383.290 0.762 20 0 GCADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430622514 531113256 /nfs/dbraw/zinc/11/32/56/531113256.db2.gz FNDNQQIVNWBANC-JSGCOSHPSA-N 2 2 383.290 0.762 20 0 GCADLP C[C@](C[NH3+])([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000430561088 531113531 /nfs/dbraw/zinc/11/35/31/531113531.db2.gz YZOIBQMDIMECGM-RHSMWYFYSA-N 2 2 385.555 0.981 20 0 GCADLP COCCCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000433130773 531127362 /nfs/dbraw/zinc/12/73/62/531127362.db2.gz IPVSZKKYVMXVER-MRXNPFEDSA-N 2 2 375.535 0.242 20 0 GCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565433028 531185951 /nfs/dbraw/zinc/18/59/51/531185951.db2.gz PVKZWJUBCVBGBB-OLZOCXBDSA-N 2 2 391.519 0.040 20 0 GCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565433028 531185956 /nfs/dbraw/zinc/18/59/56/531185956.db2.gz PVKZWJUBCVBGBB-OLZOCXBDSA-N 2 2 391.519 0.040 20 0 GCADLP C[N@@H+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000566485862 531198559 /nfs/dbraw/zinc/19/85/59/531198559.db2.gz BHONOZNKQPVFGR-UHFFFAOYSA-N 2 2 393.535 0.287 20 0 GCADLP C[N@H+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000566485862 531198563 /nfs/dbraw/zinc/19/85/63/531198563.db2.gz BHONOZNKQPVFGR-UHFFFAOYSA-N 2 2 393.535 0.287 20 0 GCADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000737738775 599070936 /nfs/dbraw/zinc/07/09/36/599070936.db2.gz IEOSOXCGLKEVFM-SFHVURJKSA-N 2 2 399.499 0.827 20 0 GCADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000737745379 599074087 /nfs/dbraw/zinc/07/40/87/599074087.db2.gz XOUYZSAXKVLYBH-KRWDZBQOSA-N 2 2 385.472 0.437 20 0 GCADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000737410958 599270403 /nfs/dbraw/zinc/27/04/03/599270403.db2.gz WIJMHGAPWHJKNN-UHFFFAOYSA-N 2 2 380.456 0.934 20 0 GCADLP C[NH+](C)CCN1CCC(C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000736769917 598285858 /nfs/dbraw/zinc/28/58/58/598285858.db2.gz XBIRRYPVGNRLNX-UHFFFAOYSA-N 2 2 384.492 0.273 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737876849 598685751 /nfs/dbraw/zinc/68/57/51/598685751.db2.gz KCOWQNWQOFOFGZ-UHFFFAOYSA-N 2 2 385.472 0.486 20 0 GCADLP CN(C(=O)CNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736852591 598743142 /nfs/dbraw/zinc/74/31/42/598743142.db2.gz RFGNAVGEMJXQBR-GOSISDBHSA-N 2 2 398.515 0.906 20 0 GCADLP CN(C(=O)CNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736852591 598743144 /nfs/dbraw/zinc/74/31/44/598743144.db2.gz RFGNAVGEMJXQBR-GOSISDBHSA-N 2 2 398.515 0.906 20 0 GCADLP CN(C(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736853677 598743423 /nfs/dbraw/zinc/74/34/23/598743423.db2.gz ZLYFOOBXMKFDCM-KRWDZBQOSA-N 2 2 399.499 0.872 20 0 GCADLP CN(C(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736853677 598743424 /nfs/dbraw/zinc/74/34/24/598743424.db2.gz ZLYFOOBXMKFDCM-KRWDZBQOSA-N 2 2 399.499 0.872 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736850844 598768762 /nfs/dbraw/zinc/76/87/62/598768762.db2.gz CZRDKIHYUVCVOU-OAHLLOKOSA-N 2 2 385.472 0.530 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736850844 598768765 /nfs/dbraw/zinc/76/87/65/598768765.db2.gz CZRDKIHYUVCVOU-OAHLLOKOSA-N 2 2 385.472 0.530 20 0 GCADLP c1cc(-c2nn[nH]n2)oc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000823809895 599429706 /nfs/dbraw/zinc/42/97/06/599429706.db2.gz ROOASTIAMLXLPW-UHFFFAOYSA-N 2 2 383.460 0.942 20 0 GCADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000822739845 607482335 /nfs/dbraw/zinc/48/23/35/607482335.db2.gz DDCDPMWOUNKMAH-MRXNPFEDSA-N 2 2 375.452 0.502 20 0 GCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000822698702 606067631 /nfs/dbraw/zinc/06/76/31/606067631.db2.gz BIMKCMWABYKGCY-UHFFFAOYSA-N 2 2 381.444 0.751 20 0 GCADLP CNc1cc(N2CCC[C@H]2C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)nc[nH+]1 ZINC000821637713 606859482 /nfs/dbraw/zinc/85/94/82/606859482.db2.gz QMGYWBMWSCBQTD-JKSUJKDBSA-N 2 2 395.471 0.990 20 0 GCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821181073 606895779 /nfs/dbraw/zinc/89/57/79/606895779.db2.gz JOFAYWFLZWEDQL-QGZVFWFLSA-N 2 2 387.488 0.386 20 0 GCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826038345 608087349 /nfs/dbraw/zinc/08/73/49/608087349.db2.gz KKBPTNGHYBJJOM-UHFFFAOYSA-N 2 2 397.487 0.986 20 0 GCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826038345 608087350 /nfs/dbraw/zinc/08/73/50/608087350.db2.gz KKBPTNGHYBJJOM-UHFFFAOYSA-N 2 2 397.487 0.986 20 0 GCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000826506668 608383093 /nfs/dbraw/zinc/38/30/93/608383093.db2.gz ZLWFSFJELIKTFD-UHFFFAOYSA-N 2 2 376.436 0.665 20 0 GCADLP C[C@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824993336 608739097 /nfs/dbraw/zinc/73/90/97/608739097.db2.gz QCDTYTOVLRVJOZ-YJBOKZPZSA-N 2 2 395.515 0.972 20 0 GCADLP C[C@H]1C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824993336 608739098 /nfs/dbraw/zinc/73/90/98/608739098.db2.gz QCDTYTOVLRVJOZ-YJBOKZPZSA-N 2 2 395.515 0.972 20 0 GCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000891412218 638495201 /nfs/dbraw/zinc/49/52/01/638495201.db2.gz VVNCWWUACJXBTK-DZGCQCFKSA-N 2 2 378.489 0.738 20 0 GCADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000891412220 638495224 /nfs/dbraw/zinc/49/52/24/638495224.db2.gz VVNCWWUACJXBTK-UKRRQHHQSA-N 2 2 378.489 0.738 20 0 GCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]nc1I ZINC000898669986 639242973 /nfs/dbraw/zinc/24/29/73/639242973.db2.gz UBESPVLFZBXFKF-UHFFFAOYSA-N 2 2 379.246 0.628 20 0 GCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]nc1I ZINC000898669986 639242977 /nfs/dbraw/zinc/24/29/77/639242977.db2.gz UBESPVLFZBXFKF-UHFFFAOYSA-N 2 2 379.246 0.628 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@H](CCO)C1)CC[N@H+]1CCC[C@H](CCO)C1 ZINC000735871713 640031039 /nfs/dbraw/zinc/03/10/39/640031039.db2.gz UGJIQIQJAHHXKX-QZTJIDSGSA-N 2 2 376.563 0.590 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@H](CCO)C1)CC[N@@H+]1CCC[C@H](CCO)C1 ZINC000735871713 640031047 /nfs/dbraw/zinc/03/10/47/640031047.db2.gz UGJIQIQJAHHXKX-QZTJIDSGSA-N 2 2 376.563 0.590 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000775154879 641067730 /nfs/dbraw/zinc/06/77/30/641067730.db2.gz UJQZDVSFUZPOHR-RYUDHWBXSA-N 2 2 377.316 0.581 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000775154879 641067737 /nfs/dbraw/zinc/06/77/37/641067737.db2.gz UJQZDVSFUZPOHR-RYUDHWBXSA-N 2 2 377.316 0.581 20 0 GCADLP CN(C(=O)C(C)(Cl)Cl)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000777389479 641130242 /nfs/dbraw/zinc/13/02/42/641130242.db2.gz SOWUNKFWSCEFPU-UHFFFAOYSA-N 2 2 379.332 0.877 20 0 GCADLP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000786756919 641337647 /nfs/dbraw/zinc/33/76/47/641337647.db2.gz ASCKIGMKBYLMIP-UHFFFAOYSA-N 2 2 376.567 0.869 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCSC(F)(F)F)C2)CC1 ZINC000788525271 641371063 /nfs/dbraw/zinc/37/10/63/641371063.db2.gz KPEVLBDNLUDHHT-NSHDSACASA-N 2 2 382.452 0.640 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCSC(F)(F)F)C2)CC1 ZINC000788525271 641371068 /nfs/dbraw/zinc/37/10/68/641371068.db2.gz KPEVLBDNLUDHHT-NSHDSACASA-N 2 2 382.452 0.640 20 0 GCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000870667020 641443414 /nfs/dbraw/zinc/44/34/14/641443414.db2.gz BQXMOSTVLQUVKV-CQSZACIVSA-N 2 2 384.527 0.692 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ncc(Cl)s1 ZINC000872828966 641495025 /nfs/dbraw/zinc/49/50/25/641495025.db2.gz GVOTVVDXUWICBJ-UHFFFAOYSA-N 2 2 387.937 0.897 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ncc(Cl)s1 ZINC000872828966 641495028 /nfs/dbraw/zinc/49/50/28/641495028.db2.gz GVOTVVDXUWICBJ-UHFFFAOYSA-N 2 2 387.937 0.897 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884427379 641784118 /nfs/dbraw/zinc/78/41/18/641784118.db2.gz UEUUWCORTRQQCC-LSDHHAIUSA-N 2 2 386.290 0.600 20 0 GCADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817965413 641892997 /nfs/dbraw/zinc/89/29/97/641892997.db2.gz PZCFDBVBLGTTMY-ABAIWWIYSA-N 2 2 375.516 0.800 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@H]1O ZINC000246214004 642061280 /nfs/dbraw/zinc/06/12/80/642061280.db2.gz FDKCSDIHZASHDA-XLAORIBOSA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@H]1O ZINC000246214004 642061284 /nfs/dbraw/zinc/06/12/84/642061284.db2.gz FDKCSDIHZASHDA-XLAORIBOSA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCC[C@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000246214004 642061294 /nfs/dbraw/zinc/06/12/94/642061294.db2.gz FDKCSDIHZASHDA-XLAORIBOSA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCC[C@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000246214004 642061297 /nfs/dbraw/zinc/06/12/97/642061297.db2.gz FDKCSDIHZASHDA-XLAORIBOSA-N 2 2 376.563 0.587 20 0 GCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000843347297 642368042 /nfs/dbraw/zinc/36/80/42/642368042.db2.gz QHOQTLQJQIFZCG-CYBMUJFWSA-N 2 2 375.441 0.970 20 0 GCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000843347297 642368048 /nfs/dbraw/zinc/36/80/48/642368048.db2.gz QHOQTLQJQIFZCG-CYBMUJFWSA-N 2 2 375.441 0.970 20 0 GCADLP C[C@H]1C[N@H+](CCS(=O)(=O)CC[NH+]2C[C@@H](C)[C@](C)(CO)C2)C[C@]1(C)CO ZINC000852702119 642770707 /nfs/dbraw/zinc/77/07/07/642770707.db2.gz HJGSIHPXJPQLJS-FZDBZEDMSA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[N@@H+](CCS(=O)(=O)CC[NH+]2C[C@@H](C)[C@](C)(CO)C2)C[C@]1(C)CO ZINC000852702119 642770713 /nfs/dbraw/zinc/77/07/13/642770713.db2.gz HJGSIHPXJPQLJS-FZDBZEDMSA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)C[C@]1(C)CO ZINC000852702119 642770716 /nfs/dbraw/zinc/77/07/16/642770716.db2.gz HJGSIHPXJPQLJS-FZDBZEDMSA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[NH+](CCS(=O)(=O)CC[N@H+]2C[C@@H](C)[C@](C)(CO)C2)C[C@]1(C)CO ZINC000852702119 642770719 /nfs/dbraw/zinc/77/07/19/642770719.db2.gz HJGSIHPXJPQLJS-FZDBZEDMSA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[N@H+](CCS(=O)(=O)CC[NH+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@]1(C)CO ZINC000852702122 642770782 /nfs/dbraw/zinc/77/07/82/642770782.db2.gz HJGSIHPXJPQLJS-XMTFNYHQSA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[N@@H+](CCS(=O)(=O)CC[NH+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@]1(C)CO ZINC000852702122 642770787 /nfs/dbraw/zinc/77/07/87/642770787.db2.gz HJGSIHPXJPQLJS-XMTFNYHQSA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@]1(C)CO ZINC000852702122 642770790 /nfs/dbraw/zinc/77/07/90/642770790.db2.gz HJGSIHPXJPQLJS-XMTFNYHQSA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[NH+](CCS(=O)(=O)CC[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@]1(C)CO ZINC000852702122 642770794 /nfs/dbraw/zinc/77/07/94/642770794.db2.gz HJGSIHPXJPQLJS-XMTFNYHQSA-N 2 2 376.563 0.302 20 0 GCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C)C[C@@H]3Cc3ccccc3)C2)C1 ZINC000652527852 1192235785 /nfs/dbraw/zinc/23/57/85/1192235785.db2.gz BVRKJVODGDTCPO-UGKGYDQZSA-N 2 2 384.524 0.926 20 0 GCADLP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C)C[C@@H]3Cc3ccccc3)C2)C1 ZINC000652527852 1192235789 /nfs/dbraw/zinc/23/57/89/1192235789.db2.gz BVRKJVODGDTCPO-UGKGYDQZSA-N 2 2 384.524 0.926 20 0 GCADLP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[N@H+](C)C[C@@H]3Cc3ccccc3)C2)C1 ZINC000652527852 1192235792 /nfs/dbraw/zinc/23/57/92/1192235792.db2.gz BVRKJVODGDTCPO-UGKGYDQZSA-N 2 2 384.524 0.926 20 0 GCADLP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3Cc3ccccc3)C2)C1 ZINC000652527852 1192235797 /nfs/dbraw/zinc/23/57/97/1192235797.db2.gz BVRKJVODGDTCPO-UGKGYDQZSA-N 2 2 384.524 0.926 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[N@@H+]1C ZINC000636700382 1192271402 /nfs/dbraw/zinc/27/14/02/1192271402.db2.gz AFELZMZAQRNZDB-ZBFHGGJFSA-N 2 2 391.541 0.850 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[N@H+]1C ZINC000636700382 1192271405 /nfs/dbraw/zinc/27/14/05/1192271405.db2.gz AFELZMZAQRNZDB-ZBFHGGJFSA-N 2 2 391.541 0.850 20 0 GCADLP COc1ccnc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1OC ZINC000662281817 1192276629 /nfs/dbraw/zinc/27/66/29/1192276629.db2.gz PLCAAPXRNSXNQL-HOCLYGCPSA-N 2 2 375.473 0.819 20 0 GCADLP COc1ccnc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1OC ZINC000662281817 1192276632 /nfs/dbraw/zinc/27/66/32/1192276632.db2.gz PLCAAPXRNSXNQL-HOCLYGCPSA-N 2 2 375.473 0.819 20 0 GCADLP CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338967 1192285153 /nfs/dbraw/zinc/28/51/53/1192285153.db2.gz XTTTWVMFSRORFE-CYBMUJFWSA-N 2 2 386.508 0.032 20 0 GCADLP CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338967 1192285158 /nfs/dbraw/zinc/28/51/58/1192285158.db2.gz XTTTWVMFSRORFE-CYBMUJFWSA-N 2 2 386.508 0.032 20 0 GCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662682239 1192327236 /nfs/dbraw/zinc/32/72/36/1192327236.db2.gz OYIPMLAAYNDSFI-INIZCTEOSA-N 2 2 395.529 0.038 20 0 GCADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC000636877723 1192333855 /nfs/dbraw/zinc/33/38/55/1192333855.db2.gz MLHFCHCQLSCSMK-WDSOQIARSA-N 2 2 388.512 0.521 20 0 GCADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC000636877723 1192333861 /nfs/dbraw/zinc/33/38/61/1192333861.db2.gz MLHFCHCQLSCSMK-WDSOQIARSA-N 2 2 388.512 0.521 20 0 GCADLP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000636877723 1192333866 /nfs/dbraw/zinc/33/38/66/1192333866.db2.gz MLHFCHCQLSCSMK-WDSOQIARSA-N 2 2 388.512 0.521 20 0 GCADLP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000636877723 1192333871 /nfs/dbraw/zinc/33/38/71/1192333871.db2.gz MLHFCHCQLSCSMK-WDSOQIARSA-N 2 2 388.512 0.521 20 0 GCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)C2)CC1 ZINC000585683094 1192365507 /nfs/dbraw/zinc/36/55/07/1192365507.db2.gz ZQIORQRGACKTEA-KRWDZBQOSA-N 2 2 376.505 0.016 20 0 GCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1S(N)(=O)=O ZINC000563155040 1192368980 /nfs/dbraw/zinc/36/89/80/1192368980.db2.gz YNJWSJRACPKYRL-CQSZACIVSA-N 2 2 396.513 0.268 20 0 GCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1S(N)(=O)=O ZINC000563155040 1192368984 /nfs/dbraw/zinc/36/89/84/1192368984.db2.gz YNJWSJRACPKYRL-CQSZACIVSA-N 2 2 396.513 0.268 20 0 GCADLP C[C@H](CNc1cnc(NC[C@@H](C)N2CC[NH+](C)CC2)cn1)N1CC[NH+](C)CC1 ZINC000663527948 1192375791 /nfs/dbraw/zinc/37/57/91/1192375791.db2.gz BEBMMXDNFARADX-QZTJIDSGSA-N 2 2 390.580 0.572 20 0 GCADLP CC1(O)CCN(c2cc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nc[nH+]2)CC1 ZINC000663538756 1192379291 /nfs/dbraw/zinc/37/92/91/1192379291.db2.gz KLUZTURLHTXWJA-UHFFFAOYSA-N 2 2 388.516 0.572 20 0 GCADLP CC1(O)CCN(c2cc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)[nH+]cn2)CC1 ZINC000663538756 1192379296 /nfs/dbraw/zinc/37/92/96/1192379296.db2.gz KLUZTURLHTXWJA-UHFFFAOYSA-N 2 2 388.516 0.572 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000663612363 1192416177 /nfs/dbraw/zinc/41/61/77/1192416177.db2.gz QHJFJRQTPUBXOX-PMACEKPBSA-N 2 2 389.544 0.640 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663613202 1192417885 /nfs/dbraw/zinc/41/78/85/1192417885.db2.gz XMBLYYJJYUZAJS-HXUWFJFHSA-N 2 2 387.484 0.157 20 0 GCADLP O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279016608 1192438599 /nfs/dbraw/zinc/43/85/99/1192438599.db2.gz GCUXIAYVOTZMKP-OAQYLSRUSA-N 2 2 399.495 0.573 20 0 GCADLP O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279016608 1192438601 /nfs/dbraw/zinc/43/86/01/1192438601.db2.gz GCUXIAYVOTZMKP-OAQYLSRUSA-N 2 2 399.495 0.573 20 0 GCADLP CNS(=O)(=O)c1cccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000663647266 1192444141 /nfs/dbraw/zinc/44/41/41/1192444141.db2.gz UIIFNLNPPGOSCO-UHFFFAOYSA-N 2 2 385.534 0.277 20 0 GCADLP CNS(=O)(=O)c1cccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000663647266 1192444143 /nfs/dbraw/zinc/44/41/43/1192444143.db2.gz UIIFNLNPPGOSCO-UHFFFAOYSA-N 2 2 385.534 0.277 20 0 GCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000512105123 1192445763 /nfs/dbraw/zinc/44/57/63/1192445763.db2.gz JTXHLXSWOJQZQS-WMZOPIPTSA-N 2 2 386.500 0.860 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000187308255 1192523487 /nfs/dbraw/zinc/52/34/87/1192523487.db2.gz LHBBIJZSQUJDHE-MSOLQXFVSA-N 2 2 383.581 0.745 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000187308255 1192523490 /nfs/dbraw/zinc/52/34/90/1192523490.db2.gz LHBBIJZSQUJDHE-MSOLQXFVSA-N 2 2 383.581 0.745 20 0 GCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c(=O)[nH]c1=O ZINC000106217320 1192568743 /nfs/dbraw/zinc/56/87/43/1192568743.db2.gz IWKBZCWNTVKWHG-ZDUSSCGKSA-N 2 2 388.472 0.808 20 0 GCADLP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c(=O)[nH]c1=O ZINC000106217320 1192568747 /nfs/dbraw/zinc/56/87/47/1192568747.db2.gz IWKBZCWNTVKWHG-ZDUSSCGKSA-N 2 2 388.472 0.808 20 0 GCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000652684520 1192576377 /nfs/dbraw/zinc/57/63/77/1192576377.db2.gz QBUUCYWIYSNKIW-UHFFFAOYSA-N 2 2 387.528 0.431 20 0 GCADLP Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613997618 1192602772 /nfs/dbraw/zinc/60/27/72/1192602772.db2.gz YVNUKZUCBDBEDR-OALUTQOASA-N 2 2 399.539 0.537 20 0 GCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000509738337 1192609500 /nfs/dbraw/zinc/60/95/00/1192609500.db2.gz PMDQUPHYHXQJRE-UHFFFAOYSA-N 2 2 390.528 0.724 20 0 GCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000509738337 1192609503 /nfs/dbraw/zinc/60/95/03/1192609503.db2.gz PMDQUPHYHXQJRE-UHFFFAOYSA-N 2 2 390.528 0.724 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418765351 1192640277 /nfs/dbraw/zinc/64/02/77/1192640277.db2.gz OQTHRBUMTOSLHD-UYAOXDASSA-N 2 2 389.544 0.823 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418765349 1192640371 /nfs/dbraw/zinc/64/03/71/1192640371.db2.gz OQTHRBUMTOSLHD-ICSRJNTNSA-N 2 2 389.544 0.823 20 0 GCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418822105 1192655850 /nfs/dbraw/zinc/65/58/50/1192655850.db2.gz ADQRZPBGYMEXPK-MOPGFXCFSA-N 2 2 388.512 0.591 20 0 GCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418822105 1192655852 /nfs/dbraw/zinc/65/58/52/1192655852.db2.gz ADQRZPBGYMEXPK-MOPGFXCFSA-N 2 2 388.512 0.591 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418823877 1192656402 /nfs/dbraw/zinc/65/64/02/1192656402.db2.gz COQUMNUYXSISJB-KRWDZBQOSA-N 2 2 380.533 0.738 20 0 GCADLP CCCN(C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000418827793 1192657567 /nfs/dbraw/zinc/65/75/67/1192657567.db2.gz HCCPXAYFFQWBBZ-OALUTQOASA-N 2 2 388.512 0.604 20 0 GCADLP CCCN(C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000418827793 1192657570 /nfs/dbraw/zinc/65/75/70/1192657570.db2.gz HCCPXAYFFQWBBZ-OALUTQOASA-N 2 2 388.512 0.604 20 0 GCADLP CCCN(C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000418827792 1192657794 /nfs/dbraw/zinc/65/77/94/1192657794.db2.gz HCCPXAYFFQWBBZ-MOPGFXCFSA-N 2 2 388.512 0.604 20 0 GCADLP CCCN(C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000418827792 1192657797 /nfs/dbraw/zinc/65/77/97/1192657797.db2.gz HCCPXAYFFQWBBZ-MOPGFXCFSA-N 2 2 388.512 0.604 20 0 GCADLP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000418827795 1192657839 /nfs/dbraw/zinc/65/78/39/1192657839.db2.gz HCCPXAYFFQWBBZ-RTBURBONSA-N 2 2 388.512 0.604 20 0 GCADLP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000418827795 1192657841 /nfs/dbraw/zinc/65/78/41/1192657841.db2.gz HCCPXAYFFQWBBZ-RTBURBONSA-N 2 2 388.512 0.604 20 0 GCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000418831612 1192659386 /nfs/dbraw/zinc/65/93/86/1192659386.db2.gz LHNJIXMDUXDRFN-QFBILLFUSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000418831612 1192659390 /nfs/dbraw/zinc/65/93/90/1192659390.db2.gz LHNJIXMDUXDRFN-QFBILLFUSA-N 2 2 388.512 0.589 20 0 GCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418834628 1192660724 /nfs/dbraw/zinc/66/07/24/1192660724.db2.gz OWXWQDIYNGFQMF-QGZVFWFLSA-N 2 2 376.501 0.447 20 0 GCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418834628 1192660728 /nfs/dbraw/zinc/66/07/28/1192660728.db2.gz OWXWQDIYNGFQMF-QGZVFWFLSA-N 2 2 376.501 0.447 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418837701 1192661866 /nfs/dbraw/zinc/66/18/66/1192661866.db2.gz UDIFPPGTGFRNTH-CEXWTWQISA-N 2 2 386.496 0.072 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418837701 1192661867 /nfs/dbraw/zinc/66/18/67/1192661867.db2.gz UDIFPPGTGFRNTH-CEXWTWQISA-N 2 2 386.496 0.072 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418842304 1192663300 /nfs/dbraw/zinc/66/33/00/1192663300.db2.gz ZSUHNFLDFNIRLV-WDSOQIARSA-N 2 2 388.512 0.732 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418842304 1192663305 /nfs/dbraw/zinc/66/33/05/1192663305.db2.gz ZSUHNFLDFNIRLV-WDSOQIARSA-N 2 2 388.512 0.732 20 0 GCADLP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)oc1C ZINC000418851277 1192665682 /nfs/dbraw/zinc/66/56/82/1192665682.db2.gz FCMQUWTUVDMOCD-UHFFFAOYSA-N 2 2 391.516 0.830 20 0 GCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000418913135 1192684455 /nfs/dbraw/zinc/68/44/55/1192684455.db2.gz NRSCHYMQOUJHNM-MRXNPFEDSA-N 2 2 388.512 0.721 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418908297 1192686207 /nfs/dbraw/zinc/68/62/07/1192686207.db2.gz HNQQMNJSTLCHMO-GOSISDBHSA-N 2 2 376.501 0.625 20 0 GCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418908306 1192686526 /nfs/dbraw/zinc/68/65/26/1192686526.db2.gz HOKONKZFNBOQQW-KRWDZBQOSA-N 2 2 388.512 0.722 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418918035 1192689680 /nfs/dbraw/zinc/68/96/80/1192689680.db2.gz VALBITBGERQZTO-QFBILLFUSA-N 2 2 388.512 0.769 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000418948408 1192699443 /nfs/dbraw/zinc/69/94/43/1192699443.db2.gz UCMHLNCHOAVFCI-HUUCEWRRSA-N 2 2 380.514 0.187 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000418948408 1192699447 /nfs/dbraw/zinc/69/94/47/1192699447.db2.gz UCMHLNCHOAVFCI-HUUCEWRRSA-N 2 2 380.514 0.187 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238008859 1192776732 /nfs/dbraw/zinc/77/67/32/1192776732.db2.gz YCOHZBDWKMQIBY-SFHVURJKSA-N 2 2 384.484 0.833 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238008859 1192776736 /nfs/dbraw/zinc/77/67/36/1192776736.db2.gz YCOHZBDWKMQIBY-SFHVURJKSA-N 2 2 384.484 0.833 20 0 GCADLP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419104959 1192792316 /nfs/dbraw/zinc/79/23/16/1192792316.db2.gz LWTYLGMHOWNEMD-AWEZNQCLSA-N 2 2 381.908 0.432 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000419121686 1192794718 /nfs/dbraw/zinc/79/47/18/1192794718.db2.gz SGXCHKDITXICGA-IBGZPJMESA-N 2 2 388.512 0.769 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000419124143 1192796032 /nfs/dbraw/zinc/79/60/32/1192796032.db2.gz WYMIIPHBCUMFFN-WNRNVDISSA-N 2 2 380.533 0.354 20 0 GCADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000419116383 1192800900 /nfs/dbraw/zinc/80/09/00/1192800900.db2.gz ZOGRVQZJEHNEIM-OAHLLOKOSA-N 2 2 393.919 0.385 20 0 GCADLP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCOCC1 ZINC000419117314 1192802210 /nfs/dbraw/zinc/80/22/10/1192802210.db2.gz MEIDQALFVTZVMH-XIRDDKMYSA-N 2 2 398.548 0.469 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000419119398 1192802456 /nfs/dbraw/zinc/80/24/56/1192802456.db2.gz PAYYKCKCBZMCFH-DLBZAZTESA-N 2 2 382.549 0.744 20 0 GCADLP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000419117640 1192802492 /nfs/dbraw/zinc/80/24/92/1192802492.db2.gz MOTWWNHNEJHJJP-GOSISDBHSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000419119407 1192802590 /nfs/dbraw/zinc/80/25/90/1192802590.db2.gz PAYYKCKCBZMCFH-IAGOWNOFSA-N 2 2 382.549 0.744 20 0 GCADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410700550 1192844367 /nfs/dbraw/zinc/84/43/67/1192844367.db2.gz SWWRYMABJBJFSE-GUDVDZBRSA-N 2 2 392.544 0.642 20 0 GCADLP COCCOC[C@@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894017490 1192891917 /nfs/dbraw/zinc/89/19/17/1192891917.db2.gz IISXSALXDLJWDC-IAGOWNOFSA-N 2 2 393.532 0.474 20 0 GCADLP COc1ccc(COC[C@@H](O)C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1OC ZINC000051760435 1192908250 /nfs/dbraw/zinc/90/82/50/1192908250.db2.gz MEMZKSRBWASICE-KRWDZBQOSA-N 2 2 395.500 0.287 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H](C)C1 ZINC000410938980 1192917509 /nfs/dbraw/zinc/91/75/09/1192917509.db2.gz QCGTWSDTRQRQBU-IAGOWNOFSA-N 2 2 394.516 0.169 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H](C)C1 ZINC000410938980 1192917511 /nfs/dbraw/zinc/91/75/11/1192917511.db2.gz QCGTWSDTRQRQBU-IAGOWNOFSA-N 2 2 394.516 0.169 20 0 GCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000579691681 1184095105 /nfs/dbraw/zinc/09/51/05/1184095105.db2.gz SKWOVFDOXSVLRM-AWEZNQCLSA-N 2 2 386.422 0.749 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC[N@H+](CC)CCO)CC1 ZINC000274620996 1184124366 /nfs/dbraw/zinc/12/43/66/1184124366.db2.gz FTTSPASMNMWWQV-UHFFFAOYSA-N 2 2 391.560 0.938 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC[N@@H+](CC)CCO)CC1 ZINC000274620996 1184124374 /nfs/dbraw/zinc/12/43/74/1184124374.db2.gz FTTSPASMNMWWQV-UHFFFAOYSA-N 2 2 391.560 0.938 20 0 GCADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)nc[nH+]1 ZINC000579744062 1184125243 /nfs/dbraw/zinc/12/52/43/1184125243.db2.gz KUNNDAIGTKNOTD-VQHPVUNQSA-N 2 2 378.521 0.547 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000643544374 1184155420 /nfs/dbraw/zinc/15/54/20/1184155420.db2.gz AEDQNRRTJHUZIA-IRXDYDNUSA-N 2 2 378.517 0.158 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000655073799 1184276198 /nfs/dbraw/zinc/27/61/98/1184276198.db2.gz BIOTXSUQHCHOLQ-APWZRJJASA-N 2 2 377.489 0.056 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000655073799 1184276204 /nfs/dbraw/zinc/27/62/04/1184276204.db2.gz BIOTXSUQHCHOLQ-APWZRJJASA-N 2 2 377.489 0.056 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969509387 1184332736 /nfs/dbraw/zinc/33/27/36/1184332736.db2.gz ZQZJKUXXIAFEGG-ANQUJSFKSA-N 2 2 389.500 0.086 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000655352557 1184387094 /nfs/dbraw/zinc/38/70/94/1184387094.db2.gz MVKZIVGAQHEEMX-KSZLIROESA-N 2 2 378.517 0.300 20 0 GCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000655352557 1184387101 /nfs/dbraw/zinc/38/71/01/1184387101.db2.gz MVKZIVGAQHEEMX-KSZLIROESA-N 2 2 378.517 0.300 20 0 GCADLP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000471270817 1184600757 /nfs/dbraw/zinc/60/07/57/1184600757.db2.gz VRRRAUAQVHUWMY-LJQANCHMSA-N 3 2 381.565 0.269 20 0 GCADLP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000275411469 1184657018 /nfs/dbraw/zinc/65/70/18/1184657018.db2.gz KUJSYUZRDHILBD-UHFFFAOYSA-N 2 2 375.473 0.033 20 0 GCADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236983282 1184668917 /nfs/dbraw/zinc/66/89/17/1184668917.db2.gz BUFDBKFPUKFNBS-HNNXBMFYSA-N 2 2 391.491 0.577 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000430407286 1184675381 /nfs/dbraw/zinc/67/53/81/1184675381.db2.gz IGXWFYRMIBUCQZ-WIYYLYMNSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000430407286 1184675386 /nfs/dbraw/zinc/67/53/86/1184675386.db2.gz IGXWFYRMIBUCQZ-WIYYLYMNSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000430407286 1184675390 /nfs/dbraw/zinc/67/53/90/1184675390.db2.gz IGXWFYRMIBUCQZ-WIYYLYMNSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000430407286 1184675396 /nfs/dbraw/zinc/67/53/96/1184675396.db2.gz IGXWFYRMIBUCQZ-WIYYLYMNSA-N 2 2 390.528 0.986 20 0 GCADLP [NH3+]C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000237863404 1184736968 /nfs/dbraw/zinc/73/69/68/1184736968.db2.gz HHTRBGZJVZBSKI-UHFFFAOYSA-N 2 2 384.477 0.082 20 0 GCADLP CCCN(C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647019544 1184786238 /nfs/dbraw/zinc/78/62/38/1184786238.db2.gz MPKLIUSRVWRHMT-LJQANCHMSA-N 3 2 393.576 0.604 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)NC[C@@H]1CCCCO1 ZINC000655728055 1184788416 /nfs/dbraw/zinc/78/84/16/1184788416.db2.gz UHKWUFVXDNESII-ROUUACIJSA-N 2 2 389.562 0.708 20 0 GCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000891006894 1184826481 /nfs/dbraw/zinc/82/64/81/1184826481.db2.gz ASRHTYSYIVZWMY-UHFFFAOYSA-N 2 2 375.473 0.678 20 0 GCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000891006894 1184826489 /nfs/dbraw/zinc/82/64/89/1184826489.db2.gz ASRHTYSYIVZWMY-UHFFFAOYSA-N 2 2 375.473 0.678 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275637882 1184846084 /nfs/dbraw/zinc/84/60/84/1184846084.db2.gz MNZRMLQNYRYKOU-MSOLQXFVSA-N 2 2 389.500 0.442 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275637882 1184846088 /nfs/dbraw/zinc/84/60/88/1184846088.db2.gz MNZRMLQNYRYKOU-MSOLQXFVSA-N 2 2 389.500 0.442 20 0 GCADLP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000579984617 1184884545 /nfs/dbraw/zinc/88/45/45/1184884545.db2.gz JTMADXCJRDUADN-QZTJIDSGSA-N 2 2 378.517 0.489 20 0 GCADLP C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000579990079 1184894098 /nfs/dbraw/zinc/89/40/98/1184894098.db2.gz LKTLLINABLEFBD-APWZRJJASA-N 2 2 394.560 0.813 20 0 GCADLP CN(C(=O)NCCN1CCNC1=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000891077093 1184910535 /nfs/dbraw/zinc/91/05/35/1184910535.db2.gz LFIUSAARTIODAR-ZWKOTPCHSA-N 2 2 394.564 0.990 20 0 GCADLP CN(C(=O)NCCN1CCNC1=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000891077093 1184910539 /nfs/dbraw/zinc/91/05/39/1184910539.db2.gz LFIUSAARTIODAR-ZWKOTPCHSA-N 2 2 394.564 0.990 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246384533 1184927030 /nfs/dbraw/zinc/92/70/30/1184927030.db2.gz HVXALXBUZANPKN-GUDVDZBRSA-N 2 2 381.565 0.907 20 0 GCADLP CCOc1ncccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000275724327 1184985335 /nfs/dbraw/zinc/98/53/35/1184985335.db2.gz SMMKGPQPXVEWCX-UHFFFAOYSA-N 2 2 377.489 0.903 20 0 GCADLP CCOc1ncccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275724327 1184985340 /nfs/dbraw/zinc/98/53/40/1184985340.db2.gz SMMKGPQPXVEWCX-UHFFFAOYSA-N 2 2 377.489 0.903 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000275773179 1185044750 /nfs/dbraw/zinc/04/47/50/1185044750.db2.gz HJTZXIKUGNKQNB-CRAIPNDOSA-N 2 2 389.500 0.667 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000275773179 1185044759 /nfs/dbraw/zinc/04/47/59/1185044759.db2.gz HJTZXIKUGNKQNB-CRAIPNDOSA-N 2 2 389.500 0.667 20 0 GCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000653150257 1185047276 /nfs/dbraw/zinc/04/72/76/1185047276.db2.gz WQQLUIZBBBAQII-SJORKVTESA-N 2 2 388.516 0.788 20 0 GCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000653150257 1185047284 /nfs/dbraw/zinc/04/72/84/1185047284.db2.gz WQQLUIZBBBAQII-SJORKVTESA-N 2 2 388.516 0.788 20 0 GCADLP CO[C@]1(C)C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000580122493 1185072152 /nfs/dbraw/zinc/07/21/52/1185072152.db2.gz BTSUHIDUXUOIEI-OXJNMPFZSA-N 2 2 382.549 0.791 20 0 GCADLP CO[C@]1(C)C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000580122493 1185072156 /nfs/dbraw/zinc/07/21/56/1185072156.db2.gz BTSUHIDUXUOIEI-OXJNMPFZSA-N 2 2 382.549 0.791 20 0 GCADLP [NH3+]C1(C[NH2+]CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCC1 ZINC000580193098 1185112030 /nfs/dbraw/zinc/11/20/30/1185112030.db2.gz FZDAHIHFBPLLSZ-UHFFFAOYSA-N 2 2 394.541 0.948 20 0 GCADLP COCC1(C)CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000580424658 1185227174 /nfs/dbraw/zinc/22/71/74/1185227174.db2.gz RVWWATAJZWADEW-UHFFFAOYSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000580458433 1185237038 /nfs/dbraw/zinc/23/70/38/1185237038.db2.gz PIQYWDKUYRQVKM-GOSISDBHSA-N 2 2 389.544 0.234 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000580458433 1185237041 /nfs/dbraw/zinc/23/70/41/1185237041.db2.gz PIQYWDKUYRQVKM-GOSISDBHSA-N 2 2 389.544 0.234 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3nc4c(s3)CCC4)C2)CC1 ZINC000684026497 1185305933 /nfs/dbraw/zinc/30/59/33/1185305933.db2.gz WHEWRVHWRXEZRI-GFCCVEGCSA-N 2 2 377.514 0.855 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3nc4c(s3)CCC4)C2)CC1 ZINC000684026497 1185305937 /nfs/dbraw/zinc/30/59/37/1185305937.db2.gz WHEWRVHWRXEZRI-GFCCVEGCSA-N 2 2 377.514 0.855 20 0 GCADLP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104315551 1185325088 /nfs/dbraw/zinc/32/50/88/1185325088.db2.gz UUIFNSGLQRNVPU-QBPKDAKJSA-N 2 2 391.516 0.740 20 0 GCADLP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104315551 1185325097 /nfs/dbraw/zinc/32/50/97/1185325097.db2.gz UUIFNSGLQRNVPU-QBPKDAKJSA-N 2 2 391.516 0.740 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCN(C)CC1 ZINC000656288359 1185334828 /nfs/dbraw/zinc/33/48/28/1185334828.db2.gz AYHQHYLJZHJBDR-OTWHNJEPSA-N 2 2 393.576 0.508 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCN(C)CC1 ZINC000656288359 1185334833 /nfs/dbraw/zinc/33/48/33/1185334833.db2.gz AYHQHYLJZHJBDR-OTWHNJEPSA-N 2 2 393.576 0.508 20 0 GCADLP CC[NH+](CC)CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000580762751 1185348630 /nfs/dbraw/zinc/34/86/30/1185348630.db2.gz TVFCGBZMBWAPJR-UHFFFAOYSA-N 2 2 375.517 0.383 20 0 GCADLP CN(C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656305361 1185379910 /nfs/dbraw/zinc/37/99/10/1185379910.db2.gz SLAIRBQZMYCQHW-BZSNNMDCSA-N 2 2 377.533 0.950 20 0 GCADLP CN(C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656305361 1185379917 /nfs/dbraw/zinc/37/99/17/1185379917.db2.gz SLAIRBQZMYCQHW-BZSNNMDCSA-N 2 2 377.533 0.950 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000656316405 1185404061 /nfs/dbraw/zinc/40/40/61/1185404061.db2.gz RNKCDXHTVSOWFW-MANSERQUSA-N 2 2 392.544 0.879 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342943 1185438752 /nfs/dbraw/zinc/43/87/52/1185438752.db2.gz IIUXQASCKWODPN-ZKXLYKBJSA-N 2 2 382.549 0.979 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342943 1185438759 /nfs/dbraw/zinc/43/87/59/1185438759.db2.gz IIUXQASCKWODPN-ZKXLYKBJSA-N 2 2 382.549 0.979 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342941 1185438907 /nfs/dbraw/zinc/43/89/07/1185438907.db2.gz IIUXQASCKWODPN-IECFSIQFSA-N 2 2 382.549 0.979 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342941 1185438909 /nfs/dbraw/zinc/43/89/09/1185438909.db2.gz IIUXQASCKWODPN-IECFSIQFSA-N 2 2 382.549 0.979 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354295 1185448426 /nfs/dbraw/zinc/44/84/26/1185448426.db2.gz BTEKDEJUTBZVJX-RBUKOAKNSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354295 1185448430 /nfs/dbraw/zinc/44/84/30/1185448430.db2.gz BTEKDEJUTBZVJX-RBUKOAKNSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354295 1185448436 /nfs/dbraw/zinc/44/84/36/1185448436.db2.gz BTEKDEJUTBZVJX-RBUKOAKNSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354295 1185448442 /nfs/dbraw/zinc/44/84/42/1185448442.db2.gz BTEKDEJUTBZVJX-RBUKOAKNSA-N 3 2 393.576 0.604 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000580975303 1185462422 /nfs/dbraw/zinc/46/24/22/1185462422.db2.gz ZOGMFDNWNLQBDS-UAGQMJEPSA-N 2 2 389.500 0.610 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000580975304 1185462547 /nfs/dbraw/zinc/46/25/47/1185462547.db2.gz ZOGMFDNWNLQBDS-USXIJHARSA-N 2 2 389.500 0.610 20 0 GCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CCO1 ZINC000581023390 1185470858 /nfs/dbraw/zinc/47/08/58/1185470858.db2.gz NYSDRSBTYICYIS-KRWDZBQOSA-N 2 2 383.537 0.387 20 0 GCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CCO1 ZINC000581023390 1185470863 /nfs/dbraw/zinc/47/08/63/1185470863.db2.gz NYSDRSBTYICYIS-KRWDZBQOSA-N 2 2 383.537 0.387 20 0 GCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CCO1 ZINC000581023391 1185471291 /nfs/dbraw/zinc/47/12/91/1185471291.db2.gz NYSDRSBTYICYIS-QGZVFWFLSA-N 2 2 383.537 0.387 20 0 GCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CCO1 ZINC000581023391 1185471295 /nfs/dbraw/zinc/47/12/95/1185471295.db2.gz NYSDRSBTYICYIS-QGZVFWFLSA-N 2 2 383.537 0.387 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419396042 1185502158 /nfs/dbraw/zinc/50/21/58/1185502158.db2.gz VJANOFBIHWHETJ-JKSUJKDBSA-N 2 2 382.892 0.506 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419396042 1185502161 /nfs/dbraw/zinc/50/21/61/1185502161.db2.gz VJANOFBIHWHETJ-JKSUJKDBSA-N 2 2 382.892 0.506 20 0 GCADLP CN(C(=O)[C@H]1CCCC[C@]1(C)[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152421 1185503579 /nfs/dbraw/zinc/50/35/79/1185503579.db2.gz BZEVKIGOFGWBSG-NQIIRXRSSA-N 3 2 393.576 0.591 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC000581128168 1185508231 /nfs/dbraw/zinc/50/82/31/1185508231.db2.gz HEVZUUPOFNDZBS-INIZCTEOSA-N 2 2 379.505 0.335 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC000581128168 1185508233 /nfs/dbraw/zinc/50/82/33/1185508233.db2.gz HEVZUUPOFNDZBS-INIZCTEOSA-N 2 2 379.505 0.335 20 0 GCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430545507 1185566658 /nfs/dbraw/zinc/56/66/58/1185566658.db2.gz BILZFHYVYGHNFU-APWZRJJASA-N 2 2 388.512 0.834 20 0 GCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430545507 1185566663 /nfs/dbraw/zinc/56/66/63/1185566663.db2.gz BILZFHYVYGHNFU-APWZRJJASA-N 2 2 388.512 0.834 20 0 GCADLP CCc1onc(C)c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000933144066 1185590918 /nfs/dbraw/zinc/59/09/18/1185590918.db2.gz XBSLDVUHYHTUDT-MRXNPFEDSA-N 2 2 391.516 0.789 20 0 GCADLP CCc1onc(C)c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000933144066 1185590925 /nfs/dbraw/zinc/59/09/25/1185590925.db2.gz XBSLDVUHYHTUDT-MRXNPFEDSA-N 2 2 391.516 0.789 20 0 GCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1C ZINC000430563483 1185605678 /nfs/dbraw/zinc/60/56/78/1185605678.db2.gz WDCXMMZVGJLREQ-UHFFFAOYSA-N 2 2 398.529 0.719 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001104346714 1185618438 /nfs/dbraw/zinc/61/84/38/1185618438.db2.gz HVQHIIFLDBLCKH-KCYZZUKISA-N 2 2 391.520 0.301 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000581383650 1185628887 /nfs/dbraw/zinc/62/88/87/1185628887.db2.gz QCEPEWLVHLFRCX-QZTJIDSGSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000430595440 1185668815 /nfs/dbraw/zinc/66/88/15/1185668815.db2.gz XVKXMLGUEOZIFL-MRXNPFEDSA-N 2 2 388.520 0.317 20 0 GCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000430595440 1185668818 /nfs/dbraw/zinc/66/88/18/1185668818.db2.gz XVKXMLGUEOZIFL-MRXNPFEDSA-N 2 2 388.520 0.317 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048457209 1185736454 /nfs/dbraw/zinc/73/64/54/1185736454.db2.gz PMDKFOPFPVTZMD-CALCHBBNSA-N 2 2 397.564 0.776 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048457209 1185736455 /nfs/dbraw/zinc/73/64/55/1185736455.db2.gz PMDKFOPFPVTZMD-CALCHBBNSA-N 2 2 397.564 0.776 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CC[C@H]([NH3+])C3)CC2)cc1OC ZINC000430621847 1185797600 /nfs/dbraw/zinc/79/76/00/1185797600.db2.gz KMVLGTOVAYUDHF-KRWDZBQOSA-N 2 2 376.501 0.689 20 0 GCADLP C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000430622872 1185799260 /nfs/dbraw/zinc/79/92/60/1185799260.db2.gz FZQUYQFBKRBOJV-UHFFFAOYSA-N 2 2 394.541 0.344 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000430622872 1185799264 /nfs/dbraw/zinc/79/92/64/1185799264.db2.gz FZQUYQFBKRBOJV-UHFFFAOYSA-N 2 2 394.541 0.344 20 0 GCADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[NH+]3CCC([NH3+])CC3)CC2)cc1 ZINC000430630569 1185819209 /nfs/dbraw/zinc/81/92/09/1185819209.db2.gz SKBFMPHBIBAWRJ-INIZCTEOSA-N 2 2 394.541 0.640 20 0 GCADLP C[NH2+]C[C@H]1CCCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000891465533 1185880137 /nfs/dbraw/zinc/88/01/37/1185880137.db2.gz VVKQDLVLIFPRTE-QGZVFWFLSA-N 2 2 388.516 0.904 20 0 GCADLP [NH3+]CC12CCC(CC1)N2C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000891463531 1185881011 /nfs/dbraw/zinc/88/10/11/1185881011.db2.gz DEOGHMYWUVKWSV-UHFFFAOYSA-N 2 2 386.500 0.786 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000276551872 1185891542 /nfs/dbraw/zinc/89/15/42/1185891542.db2.gz QKZUZFPLECEYHG-UHFFFAOYSA-N 2 2 388.516 0.116 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000276551872 1185891549 /nfs/dbraw/zinc/89/15/49/1185891549.db2.gz QKZUZFPLECEYHG-UHFFFAOYSA-N 2 2 388.516 0.116 20 0 GCADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000891529244 1185906591 /nfs/dbraw/zinc/90/65/91/1185906591.db2.gz VONNPHYMWVCBST-QFBILLFUSA-N 2 2 375.517 0.987 20 0 GCADLP Nc1ccc(F)c(NC(=O)CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000083170704 1185950746 /nfs/dbraw/zinc/95/07/46/1185950746.db2.gz LBCYRBYJAZLMSU-UHFFFAOYSA-N 2 2 377.464 0.977 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083738690 1185961685 /nfs/dbraw/zinc/96/16/85/1185961685.db2.gz ZFVVMXDYPZJLBJ-UHFFFAOYSA-N 2 2 379.509 0.182 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000419875789 1185975102 /nfs/dbraw/zinc/97/51/02/1185975102.db2.gz ONOIYNBGQNOESY-JKSUJKDBSA-N 2 2 388.516 0.943 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000430894711 1186048914 /nfs/dbraw/zinc/04/89/14/1186048914.db2.gz OGJQBSHVAINAMS-IBGZPJMESA-N 2 2 388.512 0.498 20 0 GCADLP O=C(C[NH2+]C[C@H]1CCCO1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430904222 1186049838 /nfs/dbraw/zinc/04/98/38/1186049838.db2.gz POATWOZELQEZMO-MRXNPFEDSA-N 2 2 375.473 0.005 20 0 GCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000430924937 1186054640 /nfs/dbraw/zinc/05/46/40/1186054640.db2.gz BTJOIPNEAQRVKQ-HNNXBMFYSA-N 2 2 398.504 0.200 20 0 GCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000430924937 1186054644 /nfs/dbraw/zinc/05/46/44/1186054644.db2.gz BTJOIPNEAQRVKQ-HNNXBMFYSA-N 2 2 398.504 0.200 20 0 GCADLP C[C@@H](Cc1cccnc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000933748783 1186058968 /nfs/dbraw/zinc/05/89/68/1186058968.db2.gz UDKRDCIOBQPJLX-QFBILLFUSA-N 2 2 387.528 0.756 20 0 GCADLP C[C@@H](Cc1cccnc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000933748783 1186058974 /nfs/dbraw/zinc/05/89/74/1186058974.db2.gz UDKRDCIOBQPJLX-QFBILLFUSA-N 2 2 387.528 0.756 20 0 GCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430960642 1186070928 /nfs/dbraw/zinc/07/09/28/1186070928.db2.gz KRIIOBUDHDDCNR-SFHVURJKSA-N 2 2 394.541 0.202 20 0 GCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430960642 1186070939 /nfs/dbraw/zinc/07/09/39/1186070939.db2.gz KRIIOBUDHDDCNR-SFHVURJKSA-N 2 2 394.541 0.202 20 0 GCADLP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000430968219 1186076411 /nfs/dbraw/zinc/07/64/11/1186076411.db2.gz WBWOYDULHCYZRY-AWEZNQCLSA-N 3 2 386.504 0.071 20 0 GCADLP CNS(=O)(=O)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000276824017 1186093367 /nfs/dbraw/zinc/09/33/67/1186093367.db2.gz ORLYCEKXWOGGIN-UHFFFAOYSA-N 2 2 398.533 0.479 20 0 GCADLP CNS(=O)(=O)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000276824017 1186093369 /nfs/dbraw/zinc/09/33/69/1186093369.db2.gz ORLYCEKXWOGGIN-UHFFFAOYSA-N 2 2 398.533 0.479 20 0 GCADLP CCOC1CC(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)([NH+]2CCOCC2)C1 ZINC000891858402 1186100875 /nfs/dbraw/zinc/10/08/75/1186100875.db2.gz PECMMDJGIZDRAZ-UQPPLGOBSA-N 2 2 390.475 0.800 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000933843105 1186108173 /nfs/dbraw/zinc/10/81/73/1186108173.db2.gz WFWGXMBEOSRMCK-OXJNMPFZSA-N 2 2 381.517 0.709 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000933843105 1186108174 /nfs/dbraw/zinc/10/81/74/1186108174.db2.gz WFWGXMBEOSRMCK-OXJNMPFZSA-N 2 2 381.517 0.709 20 0 GCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000431041410 1186111040 /nfs/dbraw/zinc/11/10/40/1186111040.db2.gz UMUOYWMXXBIEHO-IBGZPJMESA-N 2 2 377.485 0.782 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277199553 1186293067 /nfs/dbraw/zinc/29/30/67/1186293067.db2.gz MKPCPRVIEQPOEJ-NVXWUHKLSA-N 2 2 396.557 0.797 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277199553 1186293071 /nfs/dbraw/zinc/29/30/71/1186293071.db2.gz MKPCPRVIEQPOEJ-NVXWUHKLSA-N 2 2 396.557 0.797 20 0 GCADLP c1ccc(-n2nnnc2CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000511015306 1186322339 /nfs/dbraw/zinc/32/23/39/1186322339.db2.gz LTOOMPMOZXFHDB-UHFFFAOYSA-N 2 2 385.516 0.591 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000151907073 1186364863 /nfs/dbraw/zinc/36/48/63/1186364863.db2.gz DFEOFAQVDLWNKG-UHFFFAOYSA-N 2 2 390.513 0.619 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)n1 ZINC000151907073 1186364866 /nfs/dbraw/zinc/36/48/66/1186364866.db2.gz DFEOFAQVDLWNKG-UHFFFAOYSA-N 2 2 390.513 0.619 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000151972956 1186371833 /nfs/dbraw/zinc/37/18/33/1186371833.db2.gz RFECJADUCLCQMS-UHFFFAOYSA-N 2 2 381.440 0.885 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892169756 1186395373 /nfs/dbraw/zinc/39/53/73/1186395373.db2.gz QNLGBNWIKRVOQJ-MOPGFXCFSA-N 2 2 376.501 0.874 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892169756 1186395391 /nfs/dbraw/zinc/39/53/91/1186395391.db2.gz QNLGBNWIKRVOQJ-MOPGFXCFSA-N 2 2 376.501 0.874 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[NH2+]CCCO3)C2)c1 ZINC000892170052 1186396023 /nfs/dbraw/zinc/39/60/23/1186396023.db2.gz RPLOGWXGMNQXRP-RTBURBONSA-N 2 2 376.501 0.874 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[NH2+]CCCO3)C2)c1 ZINC000892170052 1186396031 /nfs/dbraw/zinc/39/60/31/1186396031.db2.gz RPLOGWXGMNQXRP-RTBURBONSA-N 2 2 376.501 0.874 20 0 GCADLP C[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000892217847 1186456899 /nfs/dbraw/zinc/45/68/99/1186456899.db2.gz FIVQACITKXNUFU-UHFFFAOYSA-N 2 2 397.907 0.071 20 0 GCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892258815 1186514379 /nfs/dbraw/zinc/51/43/79/1186514379.db2.gz KCPORYHHMJDMFD-ZIFCJYIRSA-N 2 2 398.573 0.435 20 0 GCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892258815 1186514381 /nfs/dbraw/zinc/51/43/81/1186514381.db2.gz KCPORYHHMJDMFD-ZIFCJYIRSA-N 2 2 398.573 0.435 20 0 GCADLP CN(C(=O)CCn1cnc2c1ncnc2N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618136 1186551277 /nfs/dbraw/zinc/55/12/77/1186551277.db2.gz OKDMYUPEKKTYEN-HNNXBMFYSA-N 2 2 386.504 0.426 20 0 GCADLP CN(C(=O)CCn1cnc2c1ncnc2N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618136 1186551283 /nfs/dbraw/zinc/55/12/83/1186551283.db2.gz OKDMYUPEKKTYEN-HNNXBMFYSA-N 2 2 386.504 0.426 20 0 GCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582538903 1186560717 /nfs/dbraw/zinc/56/07/17/1186560717.db2.gz KEFMIVOSUILOLU-MQOOWTBDSA-N 2 2 392.544 0.686 20 0 GCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582538903 1186560719 /nfs/dbraw/zinc/56/07/19/1186560719.db2.gz KEFMIVOSUILOLU-MQOOWTBDSA-N 2 2 392.544 0.686 20 0 GCADLP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582538903 1186560722 /nfs/dbraw/zinc/56/07/22/1186560722.db2.gz KEFMIVOSUILOLU-MQOOWTBDSA-N 2 2 392.544 0.686 20 0 GCADLP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582538903 1186560725 /nfs/dbraw/zinc/56/07/25/1186560725.db2.gz KEFMIVOSUILOLU-MQOOWTBDSA-N 2 2 392.544 0.686 20 0 GCADLP O=C(CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)NCC[NH+]1CCCCCC1 ZINC000431444983 1186564981 /nfs/dbraw/zinc/56/49/81/1186564981.db2.gz KPJRXFYOCIVWPF-KRWDZBQOSA-N 2 2 388.516 0.952 20 0 GCADLP Cn1cc([C@@H]2C[N@H+](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2CO)cn1 ZINC000277699856 1186569555 /nfs/dbraw/zinc/56/95/55/1186569555.db2.gz HQAZMMBCWKTURH-SFTDATJTSA-N 2 2 397.523 0.772 20 0 GCADLP Cn1cc([C@@H]2C[N@@H+](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2CO)cn1 ZINC000277699856 1186569562 /nfs/dbraw/zinc/56/95/62/1186569562.db2.gz HQAZMMBCWKTURH-SFTDATJTSA-N 2 2 397.523 0.772 20 0 GCADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]2CO)cn1 ZINC000277706474 1186572418 /nfs/dbraw/zinc/57/24/18/1186572418.db2.gz IDKMFVUAUGNSIC-OALUTQOASA-N 2 2 398.511 0.562 20 0 GCADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]2CO)cn1 ZINC000277706474 1186572420 /nfs/dbraw/zinc/57/24/20/1186572420.db2.gz IDKMFVUAUGNSIC-OALUTQOASA-N 2 2 398.511 0.562 20 0 GCADLP CCOC1CC(CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)([NH+]2CCOCC2)C1 ZINC000582602690 1186581444 /nfs/dbraw/zinc/58/14/44/1186581444.db2.gz OAKAETHLAFYUEE-SARBKMAYSA-N 2 2 380.533 0.992 20 0 GCADLP CCOC1CC(CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)([NH+]2CCOCC2)C1 ZINC000582602690 1186581445 /nfs/dbraw/zinc/58/14/45/1186581445.db2.gz OAKAETHLAFYUEE-SARBKMAYSA-N 2 2 380.533 0.992 20 0 GCADLP CN(C(=O)COC1CCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329093432 1186609054 /nfs/dbraw/zinc/60/90/54/1186609054.db2.gz AZGPYFMXRHFHFR-UHFFFAOYSA-N 2 2 380.533 0.642 20 0 GCADLP C[C@H](CNc1nccc(NC[C@H](C)N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC000892279663 1186611296 /nfs/dbraw/zinc/61/12/96/1186611296.db2.gz BFFIYIXIVHMGCS-ZWKOTPCHSA-N 2 2 390.580 0.572 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000548777157 1186716333 /nfs/dbraw/zinc/71/63/33/1186716333.db2.gz ASZXVXYQFPFLTB-ICSRJNTNSA-N 2 2 389.544 0.683 20 0 GCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000560865552 1186726228 /nfs/dbraw/zinc/72/62/28/1186726228.db2.gz AEQAVWJDKFZDHG-UHFFFAOYSA-N 2 2 382.549 0.936 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000582991017 1186742911 /nfs/dbraw/zinc/74/29/11/1186742911.db2.gz TTZAGCJSOVWCFL-ILYVXUQDSA-N 2 2 392.544 0.828 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000582991017 1186742915 /nfs/dbraw/zinc/74/29/15/1186742915.db2.gz TTZAGCJSOVWCFL-ILYVXUQDSA-N 2 2 392.544 0.828 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000582991017 1186742919 /nfs/dbraw/zinc/74/29/19/1186742919.db2.gz TTZAGCJSOVWCFL-ILYVXUQDSA-N 2 2 392.544 0.828 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000582991017 1186742921 /nfs/dbraw/zinc/74/29/21/1186742921.db2.gz TTZAGCJSOVWCFL-ILYVXUQDSA-N 2 2 392.544 0.828 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N(CCCO)CC(C)(C)C)CC2)CC1 ZINC000583100383 1186769731 /nfs/dbraw/zinc/76/97/31/1186769731.db2.gz NKQZSMYFRVLSFJ-UHFFFAOYSA-N 2 2 396.576 0.918 20 0 GCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000583143142 1186779395 /nfs/dbraw/zinc/77/93/95/1186779395.db2.gz YRFDLROCLUUOCY-MRXNPFEDSA-N 2 2 375.473 0.005 20 0 GCADLP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657744713 1186809137 /nfs/dbraw/zinc/80/91/37/1186809137.db2.gz KZLPSSMOTBPCJF-IBGZPJMESA-N 2 2 394.560 0.890 20 0 GCADLP CNS(=O)(=O)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)co1 ZINC000125190946 1186810276 /nfs/dbraw/zinc/81/02/76/1186810276.db2.gz UOTNJAKJRRKVKA-UHFFFAOYSA-N 2 2 384.502 0.476 20 0 GCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000583389481 1186842187 /nfs/dbraw/zinc/84/21/87/1186842187.db2.gz ODQAJFUJZHNQRA-QGZVFWFLSA-N 2 2 382.574 0.874 20 0 GCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000583389481 1186842189 /nfs/dbraw/zinc/84/21/89/1186842189.db2.gz ODQAJFUJZHNQRA-QGZVFWFLSA-N 2 2 382.574 0.874 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc(C)[nH+]1 ZINC000583624987 1186902840 /nfs/dbraw/zinc/90/28/40/1186902840.db2.gz RLIJQABFNIPSJX-LJQANCHMSA-N 2 2 387.528 0.942 20 0 GCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000157221903 1186909407 /nfs/dbraw/zinc/90/94/07/1186909407.db2.gz FXYUZKNEYZMDEJ-FQEVSTJZSA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000157221903 1186909409 /nfs/dbraw/zinc/90/94/09/1186909409.db2.gz FXYUZKNEYZMDEJ-FQEVSTJZSA-N 2 2 394.560 0.936 20 0 GCADLP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000583744715 1186930668 /nfs/dbraw/zinc/93/06/68/1186930668.db2.gz VIYVXNKYFFGASI-ZWKOTPCHSA-N 2 2 380.533 0.737 20 0 GCADLP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000583744715 1186930672 /nfs/dbraw/zinc/93/06/72/1186930672.db2.gz VIYVXNKYFFGASI-ZWKOTPCHSA-N 2 2 380.533 0.737 20 0 GCADLP Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050798300 1186935133 /nfs/dbraw/zinc/93/51/33/1186935133.db2.gz PLMQHGGNWRYFMT-UHFFFAOYSA-N 2 2 398.529 0.832 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)CC1 ZINC000050800325 1186952224 /nfs/dbraw/zinc/95/22/24/1186952224.db2.gz GZVAIJCNYCZXAM-KRWDZBQOSA-N 2 2 386.562 0.475 20 0 GCADLP COc1ccc([C@H](CNC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)[NH+]2CCCCC2)cc1 ZINC000278543322 1186972972 /nfs/dbraw/zinc/97/29/72/1186972972.db2.gz AIWROIRHBJBJCL-FHWLQOOXSA-N 2 2 377.485 0.376 20 0 GCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151332583 1186977243 /nfs/dbraw/zinc/97/72/43/1186977243.db2.gz YOGOLKIADIAXLJ-KRWDZBQOSA-N 2 2 388.516 0.836 20 0 GCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151332583 1186977246 /nfs/dbraw/zinc/97/72/46/1186977246.db2.gz YOGOLKIADIAXLJ-KRWDZBQOSA-N 2 2 388.516 0.836 20 0 GCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151332583 1186977248 /nfs/dbraw/zinc/97/72/48/1186977248.db2.gz YOGOLKIADIAXLJ-KRWDZBQOSA-N 2 2 388.516 0.836 20 0 GCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151332583 1186977252 /nfs/dbraw/zinc/97/72/52/1186977252.db2.gz YOGOLKIADIAXLJ-KRWDZBQOSA-N 2 2 388.516 0.836 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151332507 1186977313 /nfs/dbraw/zinc/97/73/13/1186977313.db2.gz YOGOLKIADIAXLJ-QGZVFWFLSA-N 2 2 388.516 0.836 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151332507 1186977314 /nfs/dbraw/zinc/97/73/14/1186977314.db2.gz YOGOLKIADIAXLJ-QGZVFWFLSA-N 2 2 388.516 0.836 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151332507 1186977317 /nfs/dbraw/zinc/97/73/17/1186977317.db2.gz YOGOLKIADIAXLJ-QGZVFWFLSA-N 2 2 388.516 0.836 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151332507 1186977319 /nfs/dbraw/zinc/97/73/19/1186977319.db2.gz YOGOLKIADIAXLJ-QGZVFWFLSA-N 2 2 388.516 0.836 20 0 GCADLP CCC1(O)CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685252230 1186979934 /nfs/dbraw/zinc/97/99/34/1186979934.db2.gz IVBSNPONEGPWCU-NGEICVOHSA-N 2 2 380.533 0.471 20 0 GCADLP CCC1(O)CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685252230 1186979935 /nfs/dbraw/zinc/97/99/35/1186979935.db2.gz IVBSNPONEGPWCU-NGEICVOHSA-N 2 2 380.533 0.471 20 0 GCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329661151 1186995080 /nfs/dbraw/zinc/99/50/80/1186995080.db2.gz IOHIXSQRUGPZDP-ROUUACIJSA-N 2 2 380.533 0.498 20 0 GCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329661151 1186995082 /nfs/dbraw/zinc/99/50/82/1186995082.db2.gz IOHIXSQRUGPZDP-ROUUACIJSA-N 2 2 380.533 0.498 20 0 GCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329661149 1186995199 /nfs/dbraw/zinc/99/51/99/1186995199.db2.gz IOHIXSQRUGPZDP-MSOLQXFVSA-N 2 2 380.533 0.498 20 0 GCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329661149 1186995203 /nfs/dbraw/zinc/99/52/03/1186995203.db2.gz IOHIXSQRUGPZDP-MSOLQXFVSA-N 2 2 380.533 0.498 20 0 GCADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168955474 1187014222 /nfs/dbraw/zinc/01/42/22/1187014222.db2.gz RJFMYNNBJXVEPY-OAHLLOKOSA-N 2 2 384.402 0.828 20 0 GCADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168955474 1187014229 /nfs/dbraw/zinc/01/42/29/1187014229.db2.gz RJFMYNNBJXVEPY-OAHLLOKOSA-N 2 2 384.402 0.828 20 0 GCADLP O=C(CN1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000584235293 1187019906 /nfs/dbraw/zinc/01/99/06/1187019906.db2.gz OARAQNDUBRLNCW-MRXNPFEDSA-N 2 2 378.546 0.657 20 0 GCADLP CCn1ncc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000657839594 1187031888 /nfs/dbraw/zinc/03/18/88/1187031888.db2.gz WPRXORGDTHEXRJ-INIZCTEOSA-N 2 2 376.505 0.777 20 0 GCADLP CCn1ncc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000657839594 1187031893 /nfs/dbraw/zinc/03/18/93/1187031893.db2.gz WPRXORGDTHEXRJ-INIZCTEOSA-N 2 2 376.505 0.777 20 0 GCADLP CCn1ncc(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000657839595 1187032322 /nfs/dbraw/zinc/03/23/22/1187032322.db2.gz WPRXORGDTHEXRJ-MRXNPFEDSA-N 2 2 376.505 0.777 20 0 GCADLP CCn1ncc(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000657839595 1187032325 /nfs/dbraw/zinc/03/23/25/1187032325.db2.gz WPRXORGDTHEXRJ-MRXNPFEDSA-N 2 2 376.505 0.777 20 0 GCADLP [NH3+]CCCn1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nn1 ZINC000584349126 1187036773 /nfs/dbraw/zinc/03/67/73/1187036773.db2.gz FCKQLOPSZAADRE-UHFFFAOYSA-N 2 2 391.907 0.832 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)CCNC4=O)C2)CC1 ZINC000657845826 1187042551 /nfs/dbraw/zinc/04/25/51/1187042551.db2.gz QGUFVLPPKJASNT-MRXNPFEDSA-N 2 2 399.495 0.196 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)CCNC4=O)C2)CC1 ZINC000657845826 1187042553 /nfs/dbraw/zinc/04/25/53/1187042553.db2.gz QGUFVLPPKJASNT-MRXNPFEDSA-N 2 2 399.495 0.196 20 0 GCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000081334850 1187045778 /nfs/dbraw/zinc/04/57/78/1187045778.db2.gz GWEPWNWAQBDTHN-MSOLQXFVSA-N 2 2 380.533 0.357 20 0 GCADLP C[NH+](C)CCOc1cnccc1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413548651 1187067801 /nfs/dbraw/zinc/06/78/01/1187067801.db2.gz KITCLYFIYJAXLN-UHFFFAOYSA-N 2 2 379.505 0.932 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685356986 1187114883 /nfs/dbraw/zinc/11/48/83/1187114883.db2.gz VMCJCYVVOLCMGD-FUHWJXTLSA-N 2 2 392.544 0.831 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685356986 1187114885 /nfs/dbraw/zinc/11/48/85/1187114885.db2.gz VMCJCYVVOLCMGD-FUHWJXTLSA-N 2 2 392.544 0.831 20 0 GCADLP C[C@H](C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000431577167 1187118598 /nfs/dbraw/zinc/11/85/98/1187118598.db2.gz WICVWXGLBHBGMX-MRXNPFEDSA-N 2 2 381.565 0.365 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685412051 1187123816 /nfs/dbraw/zinc/12/38/16/1187123816.db2.gz OKKVZHWZPHDWMK-BPQIPLTHSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685412051 1187123820 /nfs/dbraw/zinc/12/38/20/1187123820.db2.gz OKKVZHWZPHDWMK-BPQIPLTHSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1)S(C)(=O)=O ZINC000685436799 1187128423 /nfs/dbraw/zinc/12/84/23/1187128423.db2.gz XXGWYCJJBYYUFE-INIZCTEOSA-N 2 2 396.561 0.332 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1)S(C)(=O)=O ZINC000685436799 1187128429 /nfs/dbraw/zinc/12/84/29/1187128429.db2.gz XXGWYCJJBYYUFE-INIZCTEOSA-N 2 2 396.561 0.332 20 0 GCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000143220635 1187159113 /nfs/dbraw/zinc/15/91/13/1187159113.db2.gz VROKVDIADDULSF-INIZCTEOSA-N 2 2 384.484 0.774 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431623762 1187220292 /nfs/dbraw/zinc/22/02/92/1187220292.db2.gz UJUWTBIJJYFYKJ-INIZCTEOSA-N 2 2 397.564 0.633 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612036962 1187242802 /nfs/dbraw/zinc/24/28/02/1187242802.db2.gz BAPKMDYNZURSAQ-XWTMOSNGSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612036962 1187242807 /nfs/dbraw/zinc/24/28/07/1187242807.db2.gz BAPKMDYNZURSAQ-XWTMOSNGSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612036959 1187242927 /nfs/dbraw/zinc/24/29/27/1187242927.db2.gz BAPKMDYNZURSAQ-TVFCKZIOSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612036959 1187242931 /nfs/dbraw/zinc/24/29/31/1187242931.db2.gz BAPKMDYNZURSAQ-TVFCKZIOSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612036960 1187243058 /nfs/dbraw/zinc/24/30/58/1187243058.db2.gz BAPKMDYNZURSAQ-XDNAFOTISA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612036960 1187243060 /nfs/dbraw/zinc/24/30/60/1187243060.db2.gz BAPKMDYNZURSAQ-XDNAFOTISA-N 2 2 382.549 0.837 20 0 GCADLP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000658146540 1187249055 /nfs/dbraw/zinc/24/90/55/1187249055.db2.gz QHKZKWIKKMVIJM-KRWDZBQOSA-N 2 2 378.517 0.254 20 0 GCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658262181 1187262988 /nfs/dbraw/zinc/26/29/88/1187262988.db2.gz ATVPJFVZDLNLNP-HNNXBMFYSA-N 2 2 392.504 0.143 20 0 GCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658262181 1187262992 /nfs/dbraw/zinc/26/29/92/1187262992.db2.gz ATVPJFVZDLNLNP-HNNXBMFYSA-N 2 2 392.504 0.143 20 0 GCADLP CN(CC1=CCSC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000658539976 1187333199 /nfs/dbraw/zinc/33/31/99/1187333199.db2.gz MIFAVEWLZXZUHJ-QGZVFWFLSA-N 2 2 380.558 0.745 20 0 GCADLP CN(CC1=CCSC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000658539976 1187333204 /nfs/dbraw/zinc/33/32/04/1187333204.db2.gz MIFAVEWLZXZUHJ-QGZVFWFLSA-N 2 2 380.558 0.745 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658622889 1187389704 /nfs/dbraw/zinc/38/97/04/1187389704.db2.gz ISJFVHCWJGSEOX-QGZVFWFLSA-N 3 2 381.565 0.460 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658622889 1187389705 /nfs/dbraw/zinc/38/97/05/1187389705.db2.gz ISJFVHCWJGSEOX-QGZVFWFLSA-N 3 2 381.565 0.460 20 0 GCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000685742524 1187395655 /nfs/dbraw/zinc/39/56/55/1187395655.db2.gz HEBHCEMWXXVCRF-FQEVSTJZSA-N 2 2 397.523 0.997 20 0 GCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000685742524 1187395658 /nfs/dbraw/zinc/39/56/58/1187395658.db2.gz HEBHCEMWXXVCRF-FQEVSTJZSA-N 2 2 397.523 0.997 20 0 GCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCN(C)CC1 ZINC000612337295 1187466108 /nfs/dbraw/zinc/46/61/08/1187466108.db2.gz PRAWFGDQEMIOQZ-RBUKOAKNSA-N 2 2 381.565 0.765 20 0 GCADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612440702 1187491073 /nfs/dbraw/zinc/49/10/73/1187491073.db2.gz UUUAXGJKWRQOMB-PKOBYXMFSA-N 2 2 392.544 0.833 20 0 GCADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612440702 1187491075 /nfs/dbraw/zinc/49/10/75/1187491075.db2.gz UUUAXGJKWRQOMB-PKOBYXMFSA-N 2 2 392.544 0.833 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413802295 1187518000 /nfs/dbraw/zinc/51/80/00/1187518000.db2.gz UMLFWBMPXTUYFR-DLBZAZTESA-N 2 2 379.505 0.446 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000612596668 1187536591 /nfs/dbraw/zinc/53/65/91/1187536591.db2.gz RSUUCALZPVIGHF-BPQIPLTHSA-N 2 2 389.500 0.662 20 0 GCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612901557 1187615819 /nfs/dbraw/zinc/61/58/19/1187615819.db2.gz GXMIOHJTASYWMB-HZPDHXFCSA-N 2 2 398.515 0.920 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](CC)[C@@H](C)C3)O2)C[C@@H]1C ZINC000612951520 1187624911 /nfs/dbraw/zinc/62/49/11/1187624911.db2.gz FXYNCBZQSKRLOZ-XLAORIBOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](CC)[C@@H](C)C3)O2)C[C@@H]1C ZINC000612951520 1187624914 /nfs/dbraw/zinc/62/49/14/1187624914.db2.gz FXYNCBZQSKRLOZ-XLAORIBOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](CC)[C@@H](C)C3)O2)C[C@@H]1C ZINC000612951520 1187624923 /nfs/dbraw/zinc/62/49/23/1187624923.db2.gz FXYNCBZQSKRLOZ-XLAORIBOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](CC)[C@@H](C)C3)O2)C[C@@H]1C ZINC000612951520 1187624927 /nfs/dbraw/zinc/62/49/27/1187624927.db2.gz FXYNCBZQSKRLOZ-XLAORIBOSA-N 2 2 380.533 0.639 20 0 GCADLP CN(C(=O)c1nc2n(n1)CCCN2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612960531 1187626497 /nfs/dbraw/zinc/62/64/97/1187626497.db2.gz QVLPCHZCDNKCPT-IRXDYDNUSA-N 2 2 389.548 0.760 20 0 GCADLP CN(C(=O)c1nc2n(n1)CCCN2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612960531 1187626503 /nfs/dbraw/zinc/62/65/03/1187626503.db2.gz QVLPCHZCDNKCPT-IRXDYDNUSA-N 2 2 389.548 0.760 20 0 GCADLP CN(C(=O)c1nc2n(n1)CCCN2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612960530 1187626878 /nfs/dbraw/zinc/62/68/78/1187626878.db2.gz QVLPCHZCDNKCPT-IAGOWNOFSA-N 2 2 389.548 0.760 20 0 GCADLP CN(C(=O)c1nc2n(n1)CCCN2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612960530 1187626881 /nfs/dbraw/zinc/62/68/81/1187626881.db2.gz QVLPCHZCDNKCPT-IAGOWNOFSA-N 2 2 389.548 0.760 20 0 GCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612971536 1187628203 /nfs/dbraw/zinc/62/82/03/1187628203.db2.gz RRCLLEURCOTJIK-MRXNPFEDSA-N 2 2 386.500 0.562 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000431711282 1187629566 /nfs/dbraw/zinc/62/95/66/1187629566.db2.gz MTAFJYCKLRSROW-UKRRQHHQSA-N 2 2 375.473 0.764 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000431711282 1187629570 /nfs/dbraw/zinc/62/95/70/1187629570.db2.gz MTAFJYCKLRSROW-UKRRQHHQSA-N 2 2 375.473 0.764 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000431711283 1187629795 /nfs/dbraw/zinc/62/97/95/1187629795.db2.gz MTAFJYCKLRSROW-ZFWWWQNUSA-N 2 2 375.473 0.764 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000431711283 1187629799 /nfs/dbraw/zinc/62/97/99/1187629799.db2.gz MTAFJYCKLRSROW-ZFWWWQNUSA-N 2 2 375.473 0.764 20 0 GCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000376182690 1187655804 /nfs/dbraw/zinc/65/58/04/1187655804.db2.gz SVLPGJCBVWPPRA-ROUUACIJSA-N 2 2 394.560 0.794 20 0 GCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000376182690 1187655809 /nfs/dbraw/zinc/65/58/09/1187655809.db2.gz SVLPGJCBVWPPRA-ROUUACIJSA-N 2 2 394.560 0.794 20 0 GCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)n[nH]1 ZINC000613189868 1187694180 /nfs/dbraw/zinc/69/41/80/1187694180.db2.gz ABSCTGCXNDFOIX-NMWPEEMBSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)n[nH]1 ZINC000613189868 1187694185 /nfs/dbraw/zinc/69/41/85/1187694185.db2.gz ABSCTGCXNDFOIX-NMWPEEMBSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000613189868 1187694188 /nfs/dbraw/zinc/69/41/88/1187694188.db2.gz ABSCTGCXNDFOIX-NMWPEEMBSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000613189868 1187694191 /nfs/dbraw/zinc/69/41/91/1187694191.db2.gz ABSCTGCXNDFOIX-NMWPEEMBSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)[nH]n1 ZINC000613189868 1187694195 /nfs/dbraw/zinc/69/41/95/1187694195.db2.gz ABSCTGCXNDFOIX-NMWPEEMBSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)[nH]n1 ZINC000613189868 1187694197 /nfs/dbraw/zinc/69/41/97/1187694197.db2.gz ABSCTGCXNDFOIX-NMWPEEMBSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)[nH]n1 ZINC000613189868 1187694200 /nfs/dbraw/zinc/69/42/00/1187694200.db2.gz ABSCTGCXNDFOIX-NMWPEEMBSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)[nH]n1 ZINC000613189868 1187694205 /nfs/dbraw/zinc/69/42/05/1187694205.db2.gz ABSCTGCXNDFOIX-NMWPEEMBSA-N 2 2 376.505 0.739 20 0 GCADLP C[NH+](C)[C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000431770561 1187701887 /nfs/dbraw/zinc/70/18/87/1187701887.db2.gz GEGLQKJAAZJMKQ-RBUKOAKNSA-N 2 2 388.512 0.729 20 0 GCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000636317809 1187720917 /nfs/dbraw/zinc/72/09/17/1187720917.db2.gz UYTMLGHAPZGSBL-UHFFFAOYSA-N 2 2 387.528 0.280 20 0 GCADLP C[C@H]1CC[N@H+](CCNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000892544485 1187747859 /nfs/dbraw/zinc/74/78/59/1187747859.db2.gz MCYSOWUFWYZYBX-KRWDZBQOSA-N 2 2 388.516 0.761 20 0 GCADLP C[C@H]1CC[N@@H+](CCNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000892544485 1187747862 /nfs/dbraw/zinc/74/78/62/1187747862.db2.gz MCYSOWUFWYZYBX-KRWDZBQOSA-N 2 2 388.516 0.761 20 0 GCADLP C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000332742561 1187759968 /nfs/dbraw/zinc/75/99/68/1187759968.db2.gz VSTZEZHLXSLPEW-RBUKOAKNSA-N 2 2 393.576 0.463 20 0 GCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)C1=O ZINC000332796022 1187777048 /nfs/dbraw/zinc/77/70/48/1187777048.db2.gz OBPCEYUZLFGVDV-QZTJIDSGSA-N 2 2 378.517 0.441 20 0 GCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)C1=O ZINC000332796022 1187777051 /nfs/dbraw/zinc/77/70/51/1187777051.db2.gz OBPCEYUZLFGVDV-QZTJIDSGSA-N 2 2 378.517 0.441 20 0 GCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000376350833 1187783567 /nfs/dbraw/zinc/78/35/67/1187783567.db2.gz LQFVEALLGBDQIL-NVXWUHKLSA-N 2 2 386.562 0.764 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000249266486 1187821526 /nfs/dbraw/zinc/82/15/26/1187821526.db2.gz IFXHMEUVINXSFZ-IRXDYDNUSA-N 2 2 380.558 0.779 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000249266486 1187821530 /nfs/dbraw/zinc/82/15/30/1187821530.db2.gz IFXHMEUVINXSFZ-IRXDYDNUSA-N 2 2 380.558 0.779 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)c1 ZINC000892609477 1187825571 /nfs/dbraw/zinc/82/55/71/1187825571.db2.gz QEEMRACWSFMOSS-MOPGFXCFSA-N 2 2 375.517 0.480 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)c1 ZINC000892609477 1187825572 /nfs/dbraw/zinc/82/55/72/1187825572.db2.gz QEEMRACWSFMOSS-MOPGFXCFSA-N 2 2 375.517 0.480 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000892614260 1187829550 /nfs/dbraw/zinc/82/95/50/1187829550.db2.gz ITTKSPCZJKRHOF-SFHVURJKSA-N 2 2 386.500 0.526 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000892614260 1187829556 /nfs/dbraw/zinc/82/95/56/1187829556.db2.gz ITTKSPCZJKRHOF-SFHVURJKSA-N 2 2 386.500 0.526 20 0 GCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000186623233 1187847852 /nfs/dbraw/zinc/84/78/52/1187847852.db2.gz ORNAQCVFUVWBAN-QGZVFWFLSA-N 2 2 399.561 0.404 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc2)CC1 ZINC000659089697 1187872802 /nfs/dbraw/zinc/87/28/02/1187872802.db2.gz JNCMZSOHCJDVEU-UHFFFAOYSA-N 2 2 389.500 0.485 20 0 GCADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCS(=O)(=O)CC1 ZINC000187123635 1187882776 /nfs/dbraw/zinc/88/27/76/1187882776.db2.gz YEKCOSRFPNHZHC-MRXNPFEDSA-N 2 2 394.541 0.923 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC2(CCC2)O1 ZINC000647558312 1187883616 /nfs/dbraw/zinc/88/36/16/1187883616.db2.gz CTLIKUGFSWIQFQ-SJLPKXTDSA-N 2 2 392.544 0.783 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC2(CCC2)O1 ZINC000647558312 1187883622 /nfs/dbraw/zinc/88/36/22/1187883622.db2.gz CTLIKUGFSWIQFQ-SJLPKXTDSA-N 2 2 392.544 0.783 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000566479941 1187897224 /nfs/dbraw/zinc/89/72/24/1187897224.db2.gz DCTSRDAAMGTPGD-JTDSTZFVSA-N 2 2 382.468 0.926 20 0 GCADLP C[C@H](CNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[NH+]1CCOCC1 ZINC000105124450 1187903751 /nfs/dbraw/zinc/90/37/51/1187903751.db2.gz FPLRVBRTNAQQOQ-GUDVDZBRSA-N 2 2 381.565 0.907 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423498013 1187915809 /nfs/dbraw/zinc/91/58/09/1187915809.db2.gz AWZCDMCSUMUZDW-MSOLQXFVSA-N 3 2 381.565 0.460 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423498013 1187915812 /nfs/dbraw/zinc/91/58/12/1187915812.db2.gz AWZCDMCSUMUZDW-MSOLQXFVSA-N 3 2 381.565 0.460 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134915056 1187928013 /nfs/dbraw/zinc/92/80/13/1187928013.db2.gz LDBJDTAMBACMPB-MJGOQNOKSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134915056 1187928018 /nfs/dbraw/zinc/92/80/18/1187928018.db2.gz LDBJDTAMBACMPB-MJGOQNOKSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134915056 1187928019 /nfs/dbraw/zinc/92/80/19/1187928019.db2.gz LDBJDTAMBACMPB-MJGOQNOKSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134915056 1187928024 /nfs/dbraw/zinc/92/80/24/1187928024.db2.gz LDBJDTAMBACMPB-MJGOQNOKSA-N 2 2 391.560 0.168 20 0 GCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345082 1187945582 /nfs/dbraw/zinc/94/55/82/1187945582.db2.gz YNZPOWLQCRQITN-OALUTQOASA-N 3 2 393.576 0.556 20 0 GCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345082 1187945583 /nfs/dbraw/zinc/94/55/83/1187945583.db2.gz YNZPOWLQCRQITN-OALUTQOASA-N 3 2 393.576 0.556 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344786 1187946055 /nfs/dbraw/zinc/94/60/55/1187946055.db2.gz KQXDZUBIZRMBLL-RTBURBONSA-N 3 2 391.560 0.310 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344786 1187946056 /nfs/dbraw/zinc/94/60/56/1187946056.db2.gz KQXDZUBIZRMBLL-RTBURBONSA-N 3 2 391.560 0.310 20 0 GCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344545 1187946559 /nfs/dbraw/zinc/94/65/59/1187946559.db2.gz DUCNPJWPSULIIG-MSOLQXFVSA-N 2 2 380.533 0.641 20 0 GCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344545 1187946563 /nfs/dbraw/zinc/94/65/63/1187946563.db2.gz DUCNPJWPSULIIG-MSOLQXFVSA-N 2 2 380.533 0.641 20 0 GCADLP CCO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659344574 1187946797 /nfs/dbraw/zinc/94/67/97/1187946797.db2.gz GSTDOFZRTKNTGK-QZTJIDSGSA-N 2 2 380.533 0.641 20 0 GCADLP CCO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659344574 1187946801 /nfs/dbraw/zinc/94/68/01/1187946801.db2.gz GSTDOFZRTKNTGK-QZTJIDSGSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C[C@H]1CCCCO1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344590 1187947150 /nfs/dbraw/zinc/94/71/50/1187947150.db2.gz HQRXHWIQTFHNMJ-ZWKOTPCHSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C[C@H]1CCCCO1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344590 1187947153 /nfs/dbraw/zinc/94/71/53/1187947153.db2.gz HQRXHWIQTFHNMJ-ZWKOTPCHSA-N 2 2 380.533 0.641 20 0 GCADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659551598 1187971156 /nfs/dbraw/zinc/97/11/56/1187971156.db2.gz WXQJLBNNXCYPCI-RTBURBONSA-N 2 2 375.517 0.480 20 0 GCADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659551598 1187971159 /nfs/dbraw/zinc/97/11/59/1187971159.db2.gz WXQJLBNNXCYPCI-RTBURBONSA-N 2 2 375.517 0.480 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659585011 1187972973 /nfs/dbraw/zinc/97/29/73/1187972973.db2.gz PSQPRTVYMIBJNV-IPMKNSEASA-N 2 2 394.491 0.606 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000659684753 1187997128 /nfs/dbraw/zinc/99/71/28/1187997128.db2.gz LBCJRUXXPRDKMW-RBUKOAKNSA-N 2 2 394.560 0.698 20 0 GCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000659698184 1187999351 /nfs/dbraw/zinc/99/93/51/1187999351.db2.gz AGBFWHQXSHTORZ-UHFFFAOYSA-N 2 2 379.480 0.260 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000376638379 1188012648 /nfs/dbraw/zinc/01/26/48/1188012648.db2.gz BDKSGVGVFXPBDL-BQFCYCMXSA-N 2 2 386.562 0.291 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000376638379 1188012651 /nfs/dbraw/zinc/01/26/51/1188012651.db2.gz BDKSGVGVFXPBDL-BQFCYCMXSA-N 2 2 386.562 0.291 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000659756341 1188020742 /nfs/dbraw/zinc/02/07/42/1188020742.db2.gz QVCDRZNVLLODJM-JQHSSLGASA-N 3 2 381.565 0.506 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000659756341 1188020751 /nfs/dbraw/zinc/02/07/51/1188020751.db2.gz QVCDRZNVLLODJM-JQHSSLGASA-N 3 2 381.565 0.506 20 0 GCADLP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415323728 1188037944 /nfs/dbraw/zinc/03/79/44/1188037944.db2.gz GZKONBTYPPFDLG-UHFFFAOYSA-N 2 2 396.495 0.846 20 0 GCADLP CC(C)[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000909323069 1188055691 /nfs/dbraw/zinc/05/56/91/1188055691.db2.gz HPKNRLWYPBNKGG-ZIFCJYIRSA-N 2 2 382.549 0.839 20 0 GCADLP CC(C)[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000909323069 1188055695 /nfs/dbraw/zinc/05/56/95/1188055695.db2.gz HPKNRLWYPBNKGG-ZIFCJYIRSA-N 2 2 382.549 0.839 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000377553827 1188072459 /nfs/dbraw/zinc/07/24/59/1188072459.db2.gz RETWBRZGVBCBAL-UHFFFAOYSA-N 2 2 390.532 0.958 20 0 GCADLP C[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000415408133 1188073705 /nfs/dbraw/zinc/07/37/05/1188073705.db2.gz ZGVGMTYHOIXCHX-UHFFFAOYSA-N 2 2 387.528 0.831 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000415539091 1188101130 /nfs/dbraw/zinc/10/11/30/1188101130.db2.gz LGDHMQBUYAQXSJ-HOTGVXAUSA-N 2 2 392.500 0.587 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000415536562 1188101975 /nfs/dbraw/zinc/10/19/75/1188101975.db2.gz YMUDKVIERKEIAV-UHFFFAOYSA-N 2 2 375.517 0.878 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000415551860 1188103945 /nfs/dbraw/zinc/10/39/45/1188103945.db2.gz DXKHYHGFWLZZHO-GJZGRUSLSA-N 2 2 387.484 0.222 20 0 GCADLP CC(C)[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000377740895 1188128778 /nfs/dbraw/zinc/12/87/78/1188128778.db2.gz HLRFVFXYHRFLSR-MJGOQNOKSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896746 1188165576 /nfs/dbraw/zinc/16/55/76/1188165576.db2.gz AHMBOIRVGQQREP-RTBURBONSA-N 2 2 393.576 0.604 20 0 GCADLP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415868222 1189389487 /nfs/dbraw/zinc/38/94/87/1189389487.db2.gz QEAOQHHYPXRJAY-QGZVFWFLSA-N 2 2 383.452 0.930 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415880413 1189395051 /nfs/dbraw/zinc/39/50/51/1189395051.db2.gz RQXYZSDJFYJTSA-QWFCFKBJSA-N 2 2 399.539 0.877 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000651333103 1189441740 /nfs/dbraw/zinc/44/17/40/1189441740.db2.gz YLEPXBWVCGVOEN-SFHVURJKSA-N 2 2 394.491 0.401 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000651333103 1189441742 /nfs/dbraw/zinc/44/17/42/1189441742.db2.gz YLEPXBWVCGVOEN-SFHVURJKSA-N 2 2 394.491 0.401 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000106928685 1189447845 /nfs/dbraw/zinc/44/78/45/1189447845.db2.gz NETSNISCKKXGPE-RCCFBDPRSA-N 2 2 379.549 0.071 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000106928685 1189447847 /nfs/dbraw/zinc/44/78/47/1189447847.db2.gz NETSNISCKKXGPE-RCCFBDPRSA-N 2 2 379.549 0.071 20 0 GCADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000378442888 1189508368 /nfs/dbraw/zinc/50/83/68/1189508368.db2.gz LIFDEKKLEWQAGF-GVDBMIGSSA-N 2 2 396.532 0.955 20 0 GCADLP COC(=O)C1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000378614725 1189550937 /nfs/dbraw/zinc/55/09/37/1189550937.db2.gz DQLFHMISCAUHFP-OAHLLOKOSA-N 2 2 382.505 0.424 20 0 GCADLP COC(=O)C1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000378614725 1189550941 /nfs/dbraw/zinc/55/09/41/1189550941.db2.gz DQLFHMISCAUHFP-OAHLLOKOSA-N 2 2 382.505 0.424 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)C2)CC1 ZINC000363912641 1189571621 /nfs/dbraw/zinc/57/16/21/1189571621.db2.gz UOQQNMRZOSFPBI-INIZCTEOSA-N 2 2 397.483 0.491 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)C2)CC1 ZINC000363912641 1189571624 /nfs/dbraw/zinc/57/16/24/1189571624.db2.gz UOQQNMRZOSFPBI-INIZCTEOSA-N 2 2 397.483 0.491 20 0 GCADLP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000363912210 1189572088 /nfs/dbraw/zinc/57/20/88/1189572088.db2.gz YZGWSLVYZQMIMY-ZWKOTPCHSA-N 2 2 381.565 0.765 20 0 GCADLP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000363912209 1189572156 /nfs/dbraw/zinc/57/21/56/1189572156.db2.gz YZGWSLVYZQMIMY-ROUUACIJSA-N 2 2 381.565 0.765 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000363914936 1189572955 /nfs/dbraw/zinc/57/29/55/1189572955.db2.gz YPAFCZTWBPTHQL-CQSZACIVSA-N 2 2 388.516 0.997 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000363914936 1189572959 /nfs/dbraw/zinc/57/29/59/1189572959.db2.gz YPAFCZTWBPTHQL-CQSZACIVSA-N 2 2 388.516 0.997 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000417154713 1189624618 /nfs/dbraw/zinc/62/46/18/1189624618.db2.gz KSPAQJSNZIMBQK-UHFFFAOYSA-N 2 2 387.532 0.772 20 0 GCADLP CCCN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC000417162783 1189626980 /nfs/dbraw/zinc/62/69/80/1189626980.db2.gz SOMCRZIWKVDCLB-UHFFFAOYSA-N 2 2 375.521 0.772 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@@H]1[NH+]1CCOCC1 ZINC000584776019 1189660836 /nfs/dbraw/zinc/66/08/36/1189660836.db2.gz CXUJLOZLTDLNBP-KURKYZTESA-N 2 2 392.544 0.546 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@@H]1[NH+]1CCOCC1 ZINC000584776018 1189661203 /nfs/dbraw/zinc/66/12/03/1189661203.db2.gz CXUJLOZLTDLNBP-KSZLIROESA-N 2 2 392.544 0.546 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N[C@@H](C)C[NH3+])cc2)CC1 ZINC000417470866 1189670474 /nfs/dbraw/zinc/67/04/74/1189670474.db2.gz UDKVFHFFEKIZQC-INIZCTEOSA-N 2 2 391.516 0.418 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604694 1189688519 /nfs/dbraw/zinc/68/85/19/1189688519.db2.gz VDHPTYZLZDGLFX-OALUTQOASA-N 2 2 375.517 0.133 20 0 GCADLP CC(C)([NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417613661 1189690727 /nfs/dbraw/zinc/69/07/27/1189690727.db2.gz ACDYLRFDVJRNDS-AWEZNQCLSA-N 2 2 377.493 0.319 20 0 GCADLP CC(C)([NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417613661 1189690733 /nfs/dbraw/zinc/69/07/33/1189690733.db2.gz ACDYLRFDVJRNDS-AWEZNQCLSA-N 2 2 377.493 0.319 20 0 GCADLP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417613645 1189691285 /nfs/dbraw/zinc/69/12/85/1189691285.db2.gz AAFCOGOPWAZLFJ-HOTGVXAUSA-N 2 2 389.504 0.333 20 0 GCADLP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417613645 1189691287 /nfs/dbraw/zinc/69/12/87/1189691287.db2.gz AAFCOGOPWAZLFJ-HOTGVXAUSA-N 2 2 389.504 0.333 20 0 GCADLP C[NH2+][C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000417629741 1189691701 /nfs/dbraw/zinc/69/17/01/1189691701.db2.gz VPGWJWVAIJSTMG-HOTGVXAUSA-N 2 2 389.504 0.285 20 0 GCADLP C[NH2+][C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000417629741 1189691708 /nfs/dbraw/zinc/69/17/08/1189691708.db2.gz VPGWJWVAIJSTMG-HOTGVXAUSA-N 2 2 389.504 0.285 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000417629426 1189691780 /nfs/dbraw/zinc/69/17/80/1189691780.db2.gz VPGWJWVAIJSTMG-CVEARBPZSA-N 2 2 389.504 0.285 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000417629426 1189691784 /nfs/dbraw/zinc/69/17/84/1189691784.db2.gz VPGWJWVAIJSTMG-CVEARBPZSA-N 2 2 389.504 0.285 20 0 GCADLP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000417626293 1189692630 /nfs/dbraw/zinc/69/26/30/1189692630.db2.gz QXGGPALGNJIJQS-HZPDHXFCSA-N 2 2 389.504 0.319 20 0 GCADLP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000417626293 1189692634 /nfs/dbraw/zinc/69/26/34/1189692634.db2.gz QXGGPALGNJIJQS-HZPDHXFCSA-N 2 2 389.504 0.319 20 0 GCADLP C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]1 ZINC000417626821 1189692665 /nfs/dbraw/zinc/69/26/65/1189692665.db2.gz RRAAGVOFGQFXMU-CVEARBPZSA-N 2 2 389.504 0.285 20 0 GCADLP C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]1 ZINC000417626821 1189692669 /nfs/dbraw/zinc/69/26/69/1189692669.db2.gz RRAAGVOFGQFXMU-CVEARBPZSA-N 2 2 389.504 0.285 20 0 GCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCC[NH2+]CC1 ZINC000417628046 1189692990 /nfs/dbraw/zinc/69/29/90/1189692990.db2.gz UABHNZDJSMCBKP-MRXNPFEDSA-N 2 2 389.504 0.287 20 0 GCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCC[NH2+]CC1 ZINC000417628046 1189692993 /nfs/dbraw/zinc/69/29/93/1189692993.db2.gz UABHNZDJSMCBKP-MRXNPFEDSA-N 2 2 389.504 0.287 20 0 GCADLP [NH3+]C1(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000417624458 1189693231 /nfs/dbraw/zinc/69/32/31/1189693231.db2.gz ONYMFYAJIWCOTP-OAHLLOKOSA-N 2 2 389.504 0.463 20 0 GCADLP [NH3+]C1(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000417624458 1189693232 /nfs/dbraw/zinc/69/32/32/1189693232.db2.gz ONYMFYAJIWCOTP-OAHLLOKOSA-N 2 2 389.504 0.463 20 0 GCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])nc[nH+]1 ZINC000417779180 1189704634 /nfs/dbraw/zinc/70/46/34/1189704634.db2.gz UNOOCFHZEOWITL-RBSFLKMASA-N 2 2 377.493 0.635 20 0 GCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])[nH+]cn1 ZINC000417779180 1189704637 /nfs/dbraw/zinc/70/46/37/1189704637.db2.gz UNOOCFHZEOWITL-RBSFLKMASA-N 2 2 377.493 0.635 20 0 GCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)CC(C)(CO)CO ZINC000533936297 1189716314 /nfs/dbraw/zinc/71/63/14/1189716314.db2.gz FOPVGVDQPKBBBZ-KRWDZBQOSA-N 2 2 393.528 0.446 20 0 GCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)CC(C)(CO)CO ZINC000533936297 1189716317 /nfs/dbraw/zinc/71/63/17/1189716317.db2.gz FOPVGVDQPKBBBZ-KRWDZBQOSA-N 2 2 393.528 0.446 20 0 GCADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)cc1 ZINC000418307390 1189755377 /nfs/dbraw/zinc/75/53/77/1189755377.db2.gz SRIBQGFVCLHNRE-UHFFFAOYSA-N 2 2 375.517 0.818 20 0 GCADLP COCCOCC[NH+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000652062877 1189778473 /nfs/dbraw/zinc/77/84/73/1189778473.db2.gz ZBORRDGPWNUHHM-UHFFFAOYSA-N 2 2 378.521 0.009 20 0 GCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660446782 1189820721 /nfs/dbraw/zinc/82/07/21/1189820721.db2.gz JUZOGJSFPCXKKJ-HKUYNNGSSA-N 2 2 398.573 0.747 20 0 GCADLP O=C(NCC[C@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000418550464 1189823510 /nfs/dbraw/zinc/82/35/10/1189823510.db2.gz AOXDHBJNHFUPOY-QZTJIDSGSA-N 2 2 376.501 0.896 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000431979738 1189823785 /nfs/dbraw/zinc/82/37/85/1189823785.db2.gz FTEUNZCBTVPCIH-UHFFFAOYSA-N 2 2 389.500 0.965 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000431983933 1189828601 /nfs/dbraw/zinc/82/86/01/1189828601.db2.gz FVOHWBZTOPXERH-MRXNPFEDSA-N 2 2 375.473 0.622 20 0 GCADLP CN(C(=O)c1cnc2sccn2c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479338 1189853073 /nfs/dbraw/zinc/85/30/73/1189853073.db2.gz XDNBHRBDLCACHI-CQSZACIVSA-N 2 2 375.498 0.997 20 0 GCADLP CN(C(=O)c1cnc2sccn2c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479338 1189853079 /nfs/dbraw/zinc/85/30/79/1189853079.db2.gz XDNBHRBDLCACHI-CQSZACIVSA-N 2 2 375.498 0.997 20 0 GCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660507889 1189869728 /nfs/dbraw/zinc/86/97/28/1189869728.db2.gz CVKKJKINEBLFIM-SFHVURJKSA-N 2 2 382.549 0.890 20 0 GCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000295199516 1189883723 /nfs/dbraw/zinc/88/37/23/1189883723.db2.gz OXDQJXTUWHNUCG-HOTGVXAUSA-N 2 2 393.488 0.450 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C[C@H](C)O1 ZINC000660535885 1189892840 /nfs/dbraw/zinc/89/28/40/1189892840.db2.gz POLQDHGWAUGFHC-XWTMOSNGSA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C[C@H](C)O1 ZINC000660535885 1189892843 /nfs/dbraw/zinc/89/28/43/1189892843.db2.gz POLQDHGWAUGFHC-XWTMOSNGSA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C[C@H](C)O1 ZINC000660535885 1189892844 /nfs/dbraw/zinc/89/28/44/1189892844.db2.gz POLQDHGWAUGFHC-XWTMOSNGSA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C[C@H](C)O1 ZINC000660535885 1189892846 /nfs/dbraw/zinc/89/28/46/1189892846.db2.gz POLQDHGWAUGFHC-XWTMOSNGSA-N 2 2 380.533 0.497 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]4NC(=O)CC[C@H]4C3)CC2)CC1 ZINC000660573187 1189907543 /nfs/dbraw/zinc/90/75/43/1189907543.db2.gz GUQMZDKMPGIJMX-YJBOKZPZSA-N 2 2 377.533 0.855 20 0 GCADLP Cn1c2ncn(CC[NH+]3CCC([NH2+]Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000660676989 1189933105 /nfs/dbraw/zinc/93/31/05/1189933105.db2.gz VYFRZUUIODBTGW-UHFFFAOYSA-N 2 2 396.495 0.688 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2)CC1 ZINC000660713381 1189939251 /nfs/dbraw/zinc/93/92/51/1189939251.db2.gz RQCDUJDYDJEZSK-FUHWJXTLSA-N 2 2 392.548 0.744 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2)CC1 ZINC000660713381 1189939253 /nfs/dbraw/zinc/93/92/53/1189939253.db2.gz RQCDUJDYDJEZSK-FUHWJXTLSA-N 2 2 392.548 0.744 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660853170 1189956413 /nfs/dbraw/zinc/95/64/13/1189956413.db2.gz RJXKNHLJOBQRGM-DLBZAZTESA-N 2 2 381.521 0.045 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660853170 1189956414 /nfs/dbraw/zinc/95/64/14/1189956414.db2.gz RJXKNHLJOBQRGM-DLBZAZTESA-N 2 2 381.521 0.045 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[N@H+](C)C1CC1 ZINC000636663700 1189960492 /nfs/dbraw/zinc/96/04/92/1189960492.db2.gz XAARHJGVNZNLEA-AWEZNQCLSA-N 2 2 391.541 0.850 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[N@@H+](C)C1CC1 ZINC000636663700 1189960494 /nfs/dbraw/zinc/96/04/94/1189960494.db2.gz XAARHJGVNZNLEA-AWEZNQCLSA-N 2 2 391.541 0.850 20 0 GCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661008395 1189979981 /nfs/dbraw/zinc/97/99/81/1189979981.db2.gz BSSKQAWYOXGZEF-PMACEKPBSA-N 2 2 388.512 0.869 20 0 GCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661008395 1189979984 /nfs/dbraw/zinc/97/99/84/1189979984.db2.gz BSSKQAWYOXGZEF-PMACEKPBSA-N 2 2 388.512 0.869 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC000975809403 1189983032 /nfs/dbraw/zinc/98/30/32/1189983032.db2.gz SCCLNNWJGZVUQU-VSZNYVQBSA-N 2 2 389.500 0.360 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC000975809403 1189983034 /nfs/dbraw/zinc/98/30/34/1189983034.db2.gz SCCLNNWJGZVUQU-VSZNYVQBSA-N 2 2 389.500 0.360 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H](O)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661066162 1189986207 /nfs/dbraw/zinc/98/62/07/1189986207.db2.gz YVMQRSUFSLFSTA-OTWHNJEPSA-N 2 2 394.560 0.765 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H](O)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661066162 1189986210 /nfs/dbraw/zinc/98/62/10/1189986210.db2.gz YVMQRSUFSLFSTA-OTWHNJEPSA-N 2 2 394.560 0.765 20 0 GCADLP O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661443403 1190049132 /nfs/dbraw/zinc/04/91/32/1190049132.db2.gz QCZYZKWJJSMRTC-IBGZPJMESA-N 2 2 380.533 0.994 20 0 GCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662840614 1190049642 /nfs/dbraw/zinc/04/96/42/1190049642.db2.gz DOINKVUCOKBNJR-RTBURBONSA-N 2 2 392.544 0.405 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419247962 1193764434 /nfs/dbraw/zinc/76/44/34/1193764434.db2.gz XNQALBGZUDPBPN-KCQAQPDRSA-N 2 2 394.541 0.840 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419247962 1193764437 /nfs/dbraw/zinc/76/44/37/1193764437.db2.gz XNQALBGZUDPBPN-KCQAQPDRSA-N 2 2 394.541 0.840 20 0 GCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433169355 1193773005 /nfs/dbraw/zinc/77/30/05/1193773005.db2.gz QSTPSTQTNHCPEL-UHFFFAOYSA-N 3 2 376.549 0.884 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000419287938 1193787263 /nfs/dbraw/zinc/78/72/63/1193787263.db2.gz SCUNKQPRLRGTFP-SFHVURJKSA-N 3 2 393.576 0.556 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)CC1 ZINC000419293324 1193789972 /nfs/dbraw/zinc/78/99/72/1193789972.db2.gz ZIHVPFOWMGOPBS-IBGZPJMESA-N 3 2 393.576 0.685 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247875392 1193825950 /nfs/dbraw/zinc/82/59/50/1193825950.db2.gz YLJIQUUHKFXQLX-YRXWBPOGSA-N 2 2 381.565 0.906 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247875392 1193825955 /nfs/dbraw/zinc/82/59/55/1193825955.db2.gz YLJIQUUHKFXQLX-YRXWBPOGSA-N 2 2 381.565 0.906 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000549894775 1193832933 /nfs/dbraw/zinc/83/29/33/1193832933.db2.gz HEYKFXMAJPUSGA-SFHVURJKSA-N 2 2 385.468 0.272 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000549894775 1193832940 /nfs/dbraw/zinc/83/29/40/1193832940.db2.gz HEYKFXMAJPUSGA-SFHVURJKSA-N 2 2 385.468 0.272 20 0 GCADLP C[NH+](C)[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C[C@@H]1O ZINC000664086776 1193845600 /nfs/dbraw/zinc/84/56/00/1193845600.db2.gz XTWHBAADOILQCR-FHWLQOOXSA-N 2 2 376.501 0.246 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(N4CN=NC4=O)CC3)C2)CC1 ZINC000664128944 1193856405 /nfs/dbraw/zinc/85/64/05/1193856405.db2.gz CQUXHZIKEAIVII-AWEZNQCLSA-N 2 2 377.493 0.499 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(N4CN=NC4=O)CC3)C2)CC1 ZINC000664128944 1193856410 /nfs/dbraw/zinc/85/64/10/1193856410.db2.gz CQUXHZIKEAIVII-AWEZNQCLSA-N 2 2 377.493 0.499 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(N4CN=NC4=O)CC3)C2)CC1 ZINC000664128947 1193856557 /nfs/dbraw/zinc/85/65/57/1193856557.db2.gz CQUXHZIKEAIVII-CQSZACIVSA-N 2 2 377.493 0.499 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(N4CN=NC4=O)CC3)C2)CC1 ZINC000664128947 1193856560 /nfs/dbraw/zinc/85/65/60/1193856560.db2.gz CQUXHZIKEAIVII-CQSZACIVSA-N 2 2 377.493 0.499 20 0 GCADLP Cn1ccnc1[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129330 1193857254 /nfs/dbraw/zinc/85/72/54/1193857254.db2.gz FEOWXOOWELQFBC-WBVHZDCISA-N 2 2 392.548 0.947 20 0 GCADLP Cn1ccnc1[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129330 1193857257 /nfs/dbraw/zinc/85/72/57/1193857257.db2.gz FEOWXOOWELQFBC-WBVHZDCISA-N 2 2 392.548 0.947 20 0 GCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+](CC(=O)N(CC)CC)CC1 ZINC000672099394 1193858290 /nfs/dbraw/zinc/85/82/90/1193858290.db2.gz PEPMVLDWGXAUCU-QGZVFWFLSA-N 2 2 397.564 0.236 20 0 GCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH+](CC(=O)N(CC)CC)CC1 ZINC000672099394 1193858293 /nfs/dbraw/zinc/85/82/93/1193858293.db2.gz PEPMVLDWGXAUCU-QGZVFWFLSA-N 2 2 397.564 0.236 20 0 GCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000672099394 1193858295 /nfs/dbraw/zinc/85/82/95/1193858295.db2.gz PEPMVLDWGXAUCU-QGZVFWFLSA-N 2 2 397.564 0.236 20 0 GCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000672099394 1193858299 /nfs/dbraw/zinc/85/82/99/1193858299.db2.gz PEPMVLDWGXAUCU-QGZVFWFLSA-N 2 2 397.564 0.236 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419380526 1193881209 /nfs/dbraw/zinc/88/12/09/1193881209.db2.gz BOCIPSBESGHKBY-XOKHGSTOSA-N 2 2 396.919 0.942 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419380526 1193881212 /nfs/dbraw/zinc/88/12/12/1193881212.db2.gz BOCIPSBESGHKBY-XOKHGSTOSA-N 2 2 396.919 0.942 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419382573 1193888575 /nfs/dbraw/zinc/88/85/75/1193888575.db2.gz DKIHRMMTLSLYSQ-DLBZAZTESA-N 2 2 396.919 0.896 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419382573 1193888582 /nfs/dbraw/zinc/88/85/82/1193888582.db2.gz DKIHRMMTLSLYSQ-DLBZAZTESA-N 2 2 396.919 0.896 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419383765 1193890787 /nfs/dbraw/zinc/89/07/87/1193890787.db2.gz FPCLZLDXILJSEI-BRWVUGGUSA-N 2 2 396.919 0.927 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419383765 1193890792 /nfs/dbraw/zinc/89/07/92/1193890792.db2.gz FPCLZLDXILJSEI-BRWVUGGUSA-N 2 2 396.919 0.927 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386822 1193895848 /nfs/dbraw/zinc/89/58/48/1193895848.db2.gz IYLUENHNFZWDCO-GJZGRUSLSA-N 2 2 382.892 0.681 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386822 1193895852 /nfs/dbraw/zinc/89/58/52/1193895852.db2.gz IYLUENHNFZWDCO-GJZGRUSLSA-N 2 2 382.892 0.681 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386821 1193896015 /nfs/dbraw/zinc/89/60/15/1193896015.db2.gz IYLUENHNFZWDCO-CABCVRRESA-N 2 2 382.892 0.681 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386821 1193896020 /nfs/dbraw/zinc/89/60/20/1193896020.db2.gz IYLUENHNFZWDCO-CABCVRRESA-N 2 2 382.892 0.681 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)NC2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419386457 1193896450 /nfs/dbraw/zinc/89/64/50/1193896450.db2.gz IRQCPNNCYJYJTG-IAGOWNOFSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)NC2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419386457 1193896456 /nfs/dbraw/zinc/89/64/56/1193896456.db2.gz IRQCPNNCYJYJTG-IAGOWNOFSA-N 2 2 394.903 0.696 20 0 GCADLP COC(=O)[C@H]1[C@@H](C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1(F)F ZINC000894211795 1193917507 /nfs/dbraw/zinc/91/75/07/1193917507.db2.gz UBXUEWSMEIBJMQ-CZUORRHYSA-N 2 2 382.411 0.764 20 0 GCADLP COC(=O)[C@H]1[C@H](C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1(F)F ZINC000894211797 1193917756 /nfs/dbraw/zinc/91/77/56/1193917756.db2.gz UBXUEWSMEIBJMQ-XJKSGUPXSA-N 2 2 382.411 0.764 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419393304 1193919398 /nfs/dbraw/zinc/91/93/98/1193919398.db2.gz PUOFVYBZLPKNBE-IKGGRYGDSA-N 2 2 394.903 0.681 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419393304 1193919401 /nfs/dbraw/zinc/91/94/01/1193919401.db2.gz PUOFVYBZLPKNBE-IKGGRYGDSA-N 2 2 394.903 0.681 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419394486 1193920791 /nfs/dbraw/zinc/92/07/91/1193920791.db2.gz SHYQXSZVVPETBT-DLBZAZTESA-N 2 2 394.903 0.650 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419394486 1193920792 /nfs/dbraw/zinc/92/07/92/1193920792.db2.gz SHYQXSZVVPETBT-DLBZAZTESA-N 2 2 394.903 0.650 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419394488 1193920946 /nfs/dbraw/zinc/92/09/46/1193920946.db2.gz SHYQXSZVVPETBT-IRXDYDNUSA-N 2 2 394.903 0.650 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419394488 1193920948 /nfs/dbraw/zinc/92/09/48/1193920948.db2.gz SHYQXSZVVPETBT-IRXDYDNUSA-N 2 2 394.903 0.650 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413221068 1193929497 /nfs/dbraw/zinc/92/94/97/1193929497.db2.gz ROKJQDQLTJVLJF-MRXNPFEDSA-N 2 2 383.537 0.339 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413221068 1193929500 /nfs/dbraw/zinc/92/95/00/1193929500.db2.gz ROKJQDQLTJVLJF-MRXNPFEDSA-N 2 2 383.537 0.339 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000333414358 1193930223 /nfs/dbraw/zinc/93/02/23/1193930223.db2.gz GZJALCQCYLAQTL-QGZVFWFLSA-N 2 2 376.505 1.307 20 0 GCADLP C[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000261982800 1193934520 /nfs/dbraw/zinc/93/45/20/1193934520.db2.gz CWRNETWWQNGPRF-XLIONFOSSA-N 2 2 389.519 0.842 20 0 GCADLP C[NH2+][C@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)c1cnn(C)c1 ZINC000262364660 1193946074 /nfs/dbraw/zinc/94/60/74/1193946074.db2.gz KWMPLLLGVSYVAV-IBGZPJMESA-N 2 2 387.484 0.708 20 0 GCADLP C[NH2+][C@H](C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000262451736 1193948259 /nfs/dbraw/zinc/94/82/59/1193948259.db2.gz WAYLBTWBXYVEHB-IBGZPJMESA-N 2 2 387.484 0.708 20 0 GCADLP CCO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000513477736 1193955237 /nfs/dbraw/zinc/95/52/37/1193955237.db2.gz UUGDHNKENLZISK-MSOLQXFVSA-N 2 2 394.560 0.935 20 0 GCADLP CCO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000513477736 1193955240 /nfs/dbraw/zinc/95/52/40/1193955240.db2.gz UUGDHNKENLZISK-MSOLQXFVSA-N 2 2 394.560 0.935 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419396861 1193971037 /nfs/dbraw/zinc/97/10/37/1193971037.db2.gz WNQUBEAVDSMNHQ-PMPSAXMXSA-N 2 2 380.876 0.306 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419396861 1193971039 /nfs/dbraw/zinc/97/10/39/1193971039.db2.gz WNQUBEAVDSMNHQ-PMPSAXMXSA-N 2 2 380.876 0.306 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419396830 1193971087 /nfs/dbraw/zinc/97/10/87/1193971087.db2.gz WLBOGAGYGRBFNX-KCXAZCMYSA-N 2 2 382.892 0.539 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419396830 1193971089 /nfs/dbraw/zinc/97/10/89/1193971089.db2.gz WLBOGAGYGRBFNX-KCXAZCMYSA-N 2 2 382.892 0.539 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419399456 1194019404 /nfs/dbraw/zinc/01/94/04/1194019404.db2.gz KABNXLORQDIPIM-DOTOQJQBSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419399456 1194019405 /nfs/dbraw/zinc/01/94/05/1194019405.db2.gz KABNXLORQDIPIM-DOTOQJQBSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419424771 1194025020 /nfs/dbraw/zinc/02/50/20/1194025020.db2.gz URISVZTUZWKNTK-SFHVURJKSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419424771 1194025026 /nfs/dbraw/zinc/02/50/26/1194025026.db2.gz URISVZTUZWKNTK-SFHVURJKSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419455457 1194033365 /nfs/dbraw/zinc/03/33/65/1194033365.db2.gz WZIYPCUZUCBRIV-AWEZNQCLSA-N 2 2 383.443 0.024 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419503673 1194047147 /nfs/dbraw/zinc/04/71/47/1194047147.db2.gz HWPFEBQFYDITPH-WBVHZDCISA-N 2 2 391.491 0.321 20 0 GCADLP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487360 1194049072 /nfs/dbraw/zinc/04/90/72/1194049072.db2.gz BCCZTVUAOUDBRY-QRVBRYPASA-N 2 2 399.539 0.666 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511875 1194050050 /nfs/dbraw/zinc/05/00/50/1194050050.db2.gz WJWQSZBTKPCQMP-FGTMMUONSA-N 2 2 387.528 0.522 20 0 GCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419512958 1194051255 /nfs/dbraw/zinc/05/12/55/1194051255.db2.gz YMDWDLORUXMNIO-INIZCTEOSA-N 2 2 391.491 0.132 20 0 GCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513271 1194051903 /nfs/dbraw/zinc/05/19/03/1194051903.db2.gz YWQLNNDULUZDSM-KZNAEPCWSA-N 2 2 387.528 0.522 20 0 GCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCCc1c(F)cccc1F ZINC000501099920 1194056536 /nfs/dbraw/zinc/05/65/36/1194056536.db2.gz PVFQESVTIOYHPJ-UHFFFAOYSA-N 2 2 397.466 0.783 20 0 GCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCCOc1ccc(F)cc1 ZINC000501139554 1194068085 /nfs/dbraw/zinc/06/80/85/1194068085.db2.gz BDFOAILJCXXMGQ-UHFFFAOYSA-N 2 2 395.475 0.480 20 0 GCADLP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000419656380 1194074543 /nfs/dbraw/zinc/07/45/43/1194074543.db2.gz UEPFEHRXEFCYRU-SJLPKXTDSA-N 2 2 389.500 0.745 20 0 GCADLP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419673124 1194079219 /nfs/dbraw/zinc/07/92/19/1194079219.db2.gz BOIDCPFHBZNXEY-UHFFFAOYSA-N 2 2 387.528 0.132 20 0 GCADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000419676205 1194080323 /nfs/dbraw/zinc/08/03/23/1194080323.db2.gz BIKSVWYBKVAMQK-FHLIZLRMSA-N 2 2 385.468 0.658 20 0 GCADLP COc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1OCC[NH+](C)C ZINC000419693051 1194086160 /nfs/dbraw/zinc/08/61/60/1194086160.db2.gz HYSTYEAIPJBXHB-AWEZNQCLSA-N 2 2 378.473 0.737 20 0 GCADLP COc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1OCC[NH+](C)C ZINC000419693051 1194086162 /nfs/dbraw/zinc/08/61/62/1194086162.db2.gz HYSTYEAIPJBXHB-AWEZNQCLSA-N 2 2 378.473 0.737 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1c1ccccc1 ZINC000419733963 1194089866 /nfs/dbraw/zinc/08/98/66/1194089866.db2.gz URMZAJOWUFFFEB-FGTMMUONSA-N 2 2 379.464 0.730 20 0 GCADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000419718243 1194092315 /nfs/dbraw/zinc/09/23/15/1194092315.db2.gz CWIYNQYVASFGFU-QZTJIDSGSA-N 2 2 385.468 0.660 20 0 GCADLP COc1ccc([C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419806978 1194111642 /nfs/dbraw/zinc/11/16/42/1194111642.db2.gz FRNIJWKSRUQPHP-HNNXBMFYSA-N 2 2 384.427 0.659 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419850599 1194114812 /nfs/dbraw/zinc/11/48/12/1194114812.db2.gz GYCSGVPYGBQNOX-GOSISDBHSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419850599 1194114815 /nfs/dbraw/zinc/11/48/15/1194114815.db2.gz GYCSGVPYGBQNOX-GOSISDBHSA-N 2 2 387.528 0.131 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419845102 1194119844 /nfs/dbraw/zinc/11/98/44/1194119844.db2.gz PJKZIGRBIFAYFP-UHOSZYNNSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419845102 1194119845 /nfs/dbraw/zinc/11/98/45/1194119845.db2.gz PJKZIGRBIFAYFP-UHOSZYNNSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419875556 1194129617 /nfs/dbraw/zinc/12/96/17/1194129617.db2.gz HFLWHXTUDYRFDN-JQHSSLGASA-N 3 2 379.549 0.260 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419875556 1194129619 /nfs/dbraw/zinc/12/96/19/1194129619.db2.gz HFLWHXTUDYRFDN-JQHSSLGASA-N 3 2 379.549 0.260 20 0 GCADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419880150 1194131213 /nfs/dbraw/zinc/13/12/13/1194131213.db2.gz ZXCMCBIEUAQANX-UHFFFAOYSA-N 2 2 388.447 0.039 20 0 GCADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000419895872 1194135788 /nfs/dbraw/zinc/13/57/88/1194135788.db2.gz PVQBGNRYPUBIPO-RBUKOAKNSA-N 2 2 386.496 0.564 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)[C@@H](C)C1 ZINC000419963281 1194148652 /nfs/dbraw/zinc/14/86/52/1194148652.db2.gz HRRBPEMSKCZJOL-GOEBONIOSA-N 2 2 382.505 0.106 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)[C@@H](C)C1 ZINC000419963281 1194148654 /nfs/dbraw/zinc/14/86/54/1194148654.db2.gz HRRBPEMSKCZJOL-GOEBONIOSA-N 2 2 382.505 0.106 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)[C@@H](C)C1 ZINC000419963282 1194148745 /nfs/dbraw/zinc/14/87/45/1194148745.db2.gz HRRBPEMSKCZJOL-HOCLYGCPSA-N 2 2 382.505 0.106 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)[C@@H](C)C1 ZINC000419963282 1194148750 /nfs/dbraw/zinc/14/87/50/1194148750.db2.gz HRRBPEMSKCZJOL-HOCLYGCPSA-N 2 2 382.505 0.106 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000419985730 1194152961 /nfs/dbraw/zinc/15/29/61/1194152961.db2.gz XABUJAYIIKOZGZ-JKSUJKDBSA-N 2 2 376.501 0.872 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420027638 1194159865 /nfs/dbraw/zinc/15/98/65/1194159865.db2.gz DAOXRRODLODCRC-QEOTZNIISA-N 2 2 396.532 0.316 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420027638 1194159867 /nfs/dbraw/zinc/15/98/67/1194159867.db2.gz DAOXRRODLODCRC-QEOTZNIISA-N 2 2 396.532 0.316 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420084514 1194174512 /nfs/dbraw/zinc/17/45/12/1194174512.db2.gz ABKOXTUYQZTDHU-ZWKOTPCHSA-N 3 2 393.576 0.780 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420084514 1194174514 /nfs/dbraw/zinc/17/45/14/1194174514.db2.gz ABKOXTUYQZTDHU-ZWKOTPCHSA-N 3 2 393.576 0.780 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000420101522 1194177981 /nfs/dbraw/zinc/17/79/81/1194177981.db2.gz MKSXSHJHKNQDDG-CQSZACIVSA-N 2 2 388.468 0.002 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000420101522 1194177986 /nfs/dbraw/zinc/17/79/86/1194177986.db2.gz MKSXSHJHKNQDDG-CQSZACIVSA-N 2 2 388.468 0.002 20 0 GCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000420153131 1194194421 /nfs/dbraw/zinc/19/44/21/1194194421.db2.gz ASRSUHZETQWOBC-SJORKVTESA-N 2 2 380.533 0.594 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000420202073 1194203840 /nfs/dbraw/zinc/20/38/40/1194203840.db2.gz PBQSWEYZTOMDGS-MAUKXSAKSA-N 2 2 390.484 0.005 20 0 GCADLP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420358518 1194224130 /nfs/dbraw/zinc/22/41/30/1194224130.db2.gz JHZWKQPGYOEZGB-INIZCTEOSA-N 2 2 380.514 0.720 20 0 GCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420369565 1194224803 /nfs/dbraw/zinc/22/48/03/1194224803.db2.gz BTESTQXOUALLJU-RDJZCZTQSA-N 2 2 393.488 0.754 20 0 GCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000434125776 1194250837 /nfs/dbraw/zinc/25/08/37/1194250837.db2.gz UYVRBPWITLVCNG-DOTOQJQBSA-N 2 2 375.473 0.832 20 0 GCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000434125776 1194250839 /nfs/dbraw/zinc/25/08/39/1194250839.db2.gz UYVRBPWITLVCNG-DOTOQJQBSA-N 2 2 375.473 0.832 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000420769493 1194264289 /nfs/dbraw/zinc/26/42/89/1194264289.db2.gz JADMYQAKQZCBBD-OALUTQOASA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000420769493 1194264290 /nfs/dbraw/zinc/26/42/90/1194264290.db2.gz JADMYQAKQZCBBD-OALUTQOASA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000420769493 1194264293 /nfs/dbraw/zinc/26/42/93/1194264293.db2.gz JADMYQAKQZCBBD-OALUTQOASA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000420769493 1194264295 /nfs/dbraw/zinc/26/42/95/1194264295.db2.gz JADMYQAKQZCBBD-OALUTQOASA-N 2 2 388.512 0.556 20 0 GCADLP CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420965777 1194277819 /nfs/dbraw/zinc/27/78/19/1194277819.db2.gz PWIMRJGBWJYDIV-UHFFFAOYSA-N 2 2 382.530 0.537 20 0 GCADLP CN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C[C@H]1CCC[N@@H+]1C ZINC000421004703 1194282952 /nfs/dbraw/zinc/28/29/52/1194282952.db2.gz OMUVQSNVTMSBTI-OAHLLOKOSA-N 2 2 386.504 0.038 20 0 GCADLP CN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C[C@H]1CCC[N@H+]1C ZINC000421004703 1194282955 /nfs/dbraw/zinc/28/29/55/1194282955.db2.gz OMUVQSNVTMSBTI-OAHLLOKOSA-N 2 2 386.504 0.038 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000421214978 1194305696 /nfs/dbraw/zinc/30/56/96/1194305696.db2.gz CRQLXYKBFVAIFH-MSOLQXFVSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000421214978 1194305701 /nfs/dbraw/zinc/30/57/01/1194305701.db2.gz CRQLXYKBFVAIFH-MSOLQXFVSA-N 2 2 382.549 0.698 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000549953596 1194327138 /nfs/dbraw/zinc/32/71/38/1194327138.db2.gz NSISELYQHRQYAN-SJORKVTESA-N 2 2 392.544 0.879 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000549953596 1194327146 /nfs/dbraw/zinc/32/71/46/1194327146.db2.gz NSISELYQHRQYAN-SJORKVTESA-N 2 2 392.544 0.879 20 0 GCADLP CS(=O)(=O)N(CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000647909968 1194331162 /nfs/dbraw/zinc/33/11/62/1194331162.db2.gz DXCCAFNACFNKSH-SFHVURJKSA-N 2 2 394.541 0.344 20 0 GCADLP CS(=O)(=O)N(CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000647909968 1194331165 /nfs/dbraw/zinc/33/11/65/1194331165.db2.gz DXCCAFNACFNKSH-SFHVURJKSA-N 2 2 394.541 0.344 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000983035136 1194344349 /nfs/dbraw/zinc/34/43/49/1194344349.db2.gz KTWJVUIMHPCQCC-XMTFNYHQSA-N 2 2 391.516 0.593 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000983035136 1194344352 /nfs/dbraw/zinc/34/43/52/1194344352.db2.gz KTWJVUIMHPCQCC-XMTFNYHQSA-N 2 2 391.516 0.593 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cncc(NS(C)(=O)=O)c3)CC2)CC1 ZINC000502925051 1194368052 /nfs/dbraw/zinc/36/80/52/1194368052.db2.gz HJIBEBCUWNAEFA-UHFFFAOYSA-N 2 2 395.529 0.742 20 0 GCADLP COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000414573147 1194394393 /nfs/dbraw/zinc/39/43/93/1194394393.db2.gz RQGFABBZHWQYQY-FQEVSTJZSA-N 2 2 396.532 0.273 20 0 GCADLP COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000414573147 1194394397 /nfs/dbraw/zinc/39/43/97/1194394397.db2.gz RQGFABBZHWQYQY-FQEVSTJZSA-N 2 2 396.532 0.273 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000271790163 1194412758 /nfs/dbraw/zinc/41/27/58/1194412758.db2.gz ISJWORCYRLEDGI-MRXNPFEDSA-N 2 2 377.489 0.923 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271794223 1194412891 /nfs/dbraw/zinc/41/28/91/1194412891.db2.gz MEJPFCRTZOGRGA-LJQANCHMSA-N 2 2 391.516 0.633 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 ZINC000271851914 1194417857 /nfs/dbraw/zinc/41/78/57/1194417857.db2.gz WHXWDURZOIHFFX-UHFFFAOYSA-N 2 2 390.484 0.409 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000273095173 1194538481 /nfs/dbraw/zinc/53/84/81/1194538481.db2.gz UMNWGCUAZANBOY-PXNSSMCTSA-N 2 2 399.499 0.559 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000422256807 1194594400 /nfs/dbraw/zinc/59/44/00/1194594400.db2.gz GHIINVGTVRJPHR-IAGOWNOFSA-N 2 2 398.548 0.029 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000422256807 1194594405 /nfs/dbraw/zinc/59/44/05/1194594405.db2.gz GHIINVGTVRJPHR-IAGOWNOFSA-N 2 2 398.548 0.029 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000503238455 1194596640 /nfs/dbraw/zinc/59/66/40/1194596640.db2.gz IQPFIZCOOBTGIX-GASCZTMLSA-N 2 2 383.537 0.384 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000503238455 1194596642 /nfs/dbraw/zinc/59/66/42/1194596642.db2.gz IQPFIZCOOBTGIX-GASCZTMLSA-N 2 2 383.537 0.384 20 0 GCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)n1C ZINC000422306734 1194610825 /nfs/dbraw/zinc/61/08/25/1194610825.db2.gz DLRUVBHOCVUWGZ-UHFFFAOYSA-N 2 2 392.529 0.754 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000422436615 1194644761 /nfs/dbraw/zinc/64/47/61/1194644761.db2.gz WKOBDCONERQONI-QGZVFWFLSA-N 2 2 398.548 0.029 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000422436615 1194644763 /nfs/dbraw/zinc/64/47/63/1194644763.db2.gz WKOBDCONERQONI-QGZVFWFLSA-N 2 2 398.548 0.029 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000422626668 1194677811 /nfs/dbraw/zinc/67/78/11/1194677811.db2.gz KNJRUTDBPXDSEN-QQFBHYJXSA-N 2 2 382.505 0.071 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000422626668 1194677813 /nfs/dbraw/zinc/67/78/13/1194677813.db2.gz KNJRUTDBPXDSEN-QQFBHYJXSA-N 2 2 382.505 0.071 20 0 GCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000422725443 1194694863 /nfs/dbraw/zinc/69/48/63/1194694863.db2.gz YAIUFIVGYZFNDO-MOPGFXCFSA-N 2 2 377.485 0.781 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCCO1 ZINC000423049724 1194724972 /nfs/dbraw/zinc/72/49/72/1194724972.db2.gz KOHWPUYAVSMYNW-GOSISDBHSA-N 2 2 392.475 0.436 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCCO1 ZINC000423049724 1194724977 /nfs/dbraw/zinc/72/49/77/1194724977.db2.gz KOHWPUYAVSMYNW-GOSISDBHSA-N 2 2 392.475 0.436 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000423332007 1194749429 /nfs/dbraw/zinc/74/94/29/1194749429.db2.gz QSCIETQKLVPPIM-MHORFTMASA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000423332007 1194749431 /nfs/dbraw/zinc/74/94/31/1194749431.db2.gz QSCIETQKLVPPIM-MHORFTMASA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423370297 1194751804 /nfs/dbraw/zinc/75/18/04/1194751804.db2.gz FOSWTBFBOLKWLZ-QZTJIDSGSA-N 2 2 387.528 0.476 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423497994 1194759743 /nfs/dbraw/zinc/75/97/43/1194759743.db2.gz AUWRMCGUFMPEKK-SZMVWBNQSA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423497994 1194759744 /nfs/dbraw/zinc/75/97/44/1194759744.db2.gz AUWRMCGUFMPEKK-SZMVWBNQSA-N 3 2 379.549 0.342 20 0 GCADLP COC(=O)C[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414749009 1194762218 /nfs/dbraw/zinc/76/22/18/1194762218.db2.gz PHAMKLLDAZZNBR-OAHLLOKOSA-N 2 2 393.484 0.876 20 0 GCADLP COC(=O)C[N@H+](Cc1cc(OC)cc(OC)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414749009 1194762219 /nfs/dbraw/zinc/76/22/19/1194762219.db2.gz PHAMKLLDAZZNBR-OAHLLOKOSA-N 2 2 393.484 0.876 20 0 GCADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423541621 1194765070 /nfs/dbraw/zinc/76/50/70/1194765070.db2.gz FRASDDIZDBZGPX-LPHOPBHVSA-N 2 2 387.528 0.881 20 0 GCADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423541621 1194765072 /nfs/dbraw/zinc/76/50/72/1194765072.db2.gz FRASDDIZDBZGPX-LPHOPBHVSA-N 2 2 387.528 0.881 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000423670625 1194782492 /nfs/dbraw/zinc/78/24/92/1194782492.db2.gz MGJBVJDREIKZRI-UHFFFAOYSA-N 2 2 390.528 0.933 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727808 1194790007 /nfs/dbraw/zinc/79/00/07/1194790007.db2.gz KXYULZVLZCNIIB-RDGPPVDQSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727808 1194790010 /nfs/dbraw/zinc/79/00/10/1194790010.db2.gz KXYULZVLZCNIIB-RDGPPVDQSA-N 2 2 394.560 0.935 20 0 GCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000424335961 1194808358 /nfs/dbraw/zinc/80/83/58/1194808358.db2.gz PUWUWDIJCVMXGT-IAGOWNOFSA-N 2 2 396.513 0.506 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424497470 1194817885 /nfs/dbraw/zinc/81/78/85/1194817885.db2.gz XGLUZLRGYVESIB-KRWDZBQOSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424549413 1194823781 /nfs/dbraw/zinc/82/37/81/1194823781.db2.gz MHJBQMGKZJZCNZ-ZWKOTPCHSA-N 2 2 394.560 0.840 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424549410 1194823852 /nfs/dbraw/zinc/82/38/52/1194823852.db2.gz MHJBQMGKZJZCNZ-MSOLQXFVSA-N 2 2 394.560 0.840 20 0 GCADLP COC[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000434790397 1194869748 /nfs/dbraw/zinc/86/97/48/1194869748.db2.gz UIFXYCWQZMVYNW-UXHICEINSA-N 2 2 391.512 0.919 20 0 GCADLP O=C(CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)NC(=O)NCC(F)(F)F ZINC000434844849 1194872629 /nfs/dbraw/zinc/87/26/29/1194872629.db2.gz WSZAPNLXRAJESY-UHFFFAOYSA-N 2 2 393.410 0.005 20 0 GCADLP COc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc(OC)c1OCC(N)=O ZINC000434988122 1194881728 /nfs/dbraw/zinc/88/17/28/1194881728.db2.gz XTMPNRXTXWKDCG-UHFFFAOYSA-N 2 2 381.473 0.456 20 0 GCADLP COc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc(OC)c1OCC(N)=O ZINC000434988122 1194881729 /nfs/dbraw/zinc/88/17/29/1194881729.db2.gz XTMPNRXTXWKDCG-UHFFFAOYSA-N 2 2 381.473 0.456 20 0 GCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514611676 1194888047 /nfs/dbraw/zinc/88/80/47/1194888047.db2.gz BIHJQSSPFSXZCH-WMZOPIPTSA-N 2 2 394.541 0.472 20 0 GCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514611676 1194888049 /nfs/dbraw/zinc/88/80/49/1194888049.db2.gz BIHJQSSPFSXZCH-WMZOPIPTSA-N 2 2 394.541 0.472 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC1 ZINC000435105018 1194890015 /nfs/dbraw/zinc/89/00/15/1194890015.db2.gz IWVUSISKGCPSIK-RHSMWYFYSA-N 2 2 390.484 0.535 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000514663892 1194891881 /nfs/dbraw/zinc/89/18/81/1194891881.db2.gz OEDYXSVSGGDKKQ-ROUUACIJSA-N 2 2 387.528 0.511 20 0 GCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000514663890 1194892052 /nfs/dbraw/zinc/89/20/52/1194892052.db2.gz OEDYXSVSGGDKKQ-MSOLQXFVSA-N 2 2 387.528 0.511 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000514752983 1194903861 /nfs/dbraw/zinc/90/38/61/1194903861.db2.gz BEUAKQGJUGFSLH-QGZVFWFLSA-N 2 2 396.919 0.850 20 0 GCADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCCCn3cc[nH+]c3)c2)CCO1 ZINC000283373950 1194918152 /nfs/dbraw/zinc/91/81/52/1194918152.db2.gz VSSRFFRVBPOVMD-KRWDZBQOSA-N 2 2 399.495 0.927 20 0 GCADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCCCn3cc[nH+]c3)c2)CCO1 ZINC000283373950 1194918153 /nfs/dbraw/zinc/91/81/53/1194918153.db2.gz VSSRFFRVBPOVMD-KRWDZBQOSA-N 2 2 399.495 0.927 20 0 GCADLP CC[NH+]1CCC(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000514909720 1194926973 /nfs/dbraw/zinc/92/69/73/1194926973.db2.gz HJBBBKLJDDYLCS-UHFFFAOYSA-N 2 2 392.504 0.002 20 0 GCADLP CCn1ccnc1C[N@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435433731 1194929340 /nfs/dbraw/zinc/92/93/40/1194929340.db2.gz PBIGULSNBDQVTP-INIZCTEOSA-N 2 2 386.500 0.445 20 0 GCADLP CCn1ccnc1C[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435433731 1194929343 /nfs/dbraw/zinc/92/93/43/1194929343.db2.gz PBIGULSNBDQVTP-INIZCTEOSA-N 2 2 386.500 0.445 20 0 GCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](CCc4cccs4)CC3)[C@@H]2C1 ZINC000425389453 1194938193 /nfs/dbraw/zinc/93/81/93/1194938193.db2.gz PSLHRJVMCNMXJO-FUHWJXTLSA-N 2 2 390.553 0.987 20 0 GCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](CCc4cccs4)CC3)[C@@H]2C1 ZINC000425389453 1194938195 /nfs/dbraw/zinc/93/81/95/1194938195.db2.gz PSLHRJVMCNMXJO-FUHWJXTLSA-N 2 2 390.553 0.987 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000425400936 1194953809 /nfs/dbraw/zinc/95/38/09/1194953809.db2.gz LGDFDHSHEWQFIM-UHFFFAOYSA-N 2 2 379.505 0.609 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000515310909 1194967812 /nfs/dbraw/zinc/96/78/12/1194967812.db2.gz ZHBLEQYDNPGPLD-LJQANCHMSA-N 3 2 393.576 0.639 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000515310909 1194967813 /nfs/dbraw/zinc/96/78/13/1194967813.db2.gz ZHBLEQYDNPGPLD-LJQANCHMSA-N 3 2 393.576 0.639 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000436060234 1194982930 /nfs/dbraw/zinc/98/29/30/1194982930.db2.gz DPOIEOPMUDWJKA-INIZCTEOSA-N 2 2 375.473 0.332 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000436060234 1194982931 /nfs/dbraw/zinc/98/29/31/1194982931.db2.gz DPOIEOPMUDWJKA-INIZCTEOSA-N 2 2 375.473 0.332 20 0 GCADLP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1OC ZINC000436054139 1194983947 /nfs/dbraw/zinc/98/39/47/1194983947.db2.gz GWGKXZKTWMPRQN-OAHLLOKOSA-N 2 2 378.473 0.962 20 0 GCADLP COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1OC ZINC000436054139 1194983950 /nfs/dbraw/zinc/98/39/50/1194983950.db2.gz GWGKXZKTWMPRQN-OAHLLOKOSA-N 2 2 378.473 0.962 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414879607 1194987884 /nfs/dbraw/zinc/98/78/84/1194987884.db2.gz PEVAGXWUEWPXFL-MRXNPFEDSA-N 2 2 396.495 0.806 20 0 GCADLP [NH3+]CCn1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nn1 ZINC000515673393 1194990327 /nfs/dbraw/zinc/99/03/27/1194990327.db2.gz XJHJRQLATLYYOX-UHFFFAOYSA-N 2 2 377.880 0.442 20 0 GCADLP C[NH+](C)CCn1ncc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1-c1ccccc1 ZINC000288207668 1195052720 /nfs/dbraw/zinc/05/27/20/1195052720.db2.gz ONZIFBRBEIBDAL-SFHVURJKSA-N 2 2 382.512 0.841 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000425668685 1195054280 /nfs/dbraw/zinc/05/42/80/1195054280.db2.gz ATHLHNJXRCVCFX-UHFFFAOYSA-N 2 2 399.580 0.129 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000425668685 1195054284 /nfs/dbraw/zinc/05/42/84/1195054284.db2.gz ATHLHNJXRCVCFX-UHFFFAOYSA-N 2 2 399.580 0.129 20 0 GCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCC[N@H+](C)CCCOC ZINC000288285419 1195055692 /nfs/dbraw/zinc/05/56/92/1195055692.db2.gz VNIFAPWBPZYANB-UHFFFAOYSA-N 2 2 381.521 0.769 20 0 GCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCC[N@@H+](C)CCCOC ZINC000288285419 1195055697 /nfs/dbraw/zinc/05/56/97/1195055697.db2.gz VNIFAPWBPZYANB-UHFFFAOYSA-N 2 2 381.521 0.769 20 0 GCADLP NS(=O)(=O)CCCC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270209345 1195106309 /nfs/dbraw/zinc/10/63/09/1195106309.db2.gz KHMUKBPHKFCQET-SJORKVTESA-N 2 2 383.518 0.503 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000437435225 1195110803 /nfs/dbraw/zinc/11/08/03/1195110803.db2.gz XQQGPKTVHNHYMA-MHZLTWQESA-N 2 2 394.541 0.847 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000437435225 1195110806 /nfs/dbraw/zinc/11/08/06/1195110806.db2.gz XQQGPKTVHNHYMA-MHZLTWQESA-N 2 2 394.541 0.847 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000437480747 1195115462 /nfs/dbraw/zinc/11/54/62/1195115462.db2.gz WRWTVSUQJIRMPW-HHHXNRCGSA-N 2 2 394.541 0.847 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000437480747 1195115464 /nfs/dbraw/zinc/11/54/64/1195115464.db2.gz WRWTVSUQJIRMPW-HHHXNRCGSA-N 2 2 394.541 0.847 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000516968439 1195118149 /nfs/dbraw/zinc/11/81/49/1195118149.db2.gz QWFHRAUZOPSYGD-MRXNPFEDSA-N 2 2 377.452 0.899 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000517136658 1195140748 /nfs/dbraw/zinc/14/07/48/1195140748.db2.gz PSPHYECHCFMICX-SJORKVTESA-N 2 2 383.537 0.291 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000517153433 1195144051 /nfs/dbraw/zinc/14/40/51/1195144051.db2.gz DCPUOCWGTRRCQY-UHFFFAOYSA-N 2 2 383.500 0.755 20 0 GCADLP C[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[NH+]1CC(C)C1 ZINC000517173511 1195146573 /nfs/dbraw/zinc/14/65/73/1195146573.db2.gz ZENFJVIXQIBFCQ-QGZVFWFLSA-N 2 2 380.533 0.404 20 0 GCADLP CNS(=O)(=O)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000517651140 1195202744 /nfs/dbraw/zinc/20/27/44/1195202744.db2.gz ZLQLQFNRCRHEQJ-UHFFFAOYSA-N 2 2 379.442 0.587 20 0 GCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438328944 1195205821 /nfs/dbraw/zinc/20/58/21/1195205821.db2.gz OMBJLUBSPMEFFZ-SJORKVTESA-N 2 2 378.521 1.457 20 0 GCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438328944 1195205823 /nfs/dbraw/zinc/20/58/23/1195205823.db2.gz OMBJLUBSPMEFFZ-SJORKVTESA-N 2 2 378.521 1.457 20 0 GCADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438328943 1195205892 /nfs/dbraw/zinc/20/58/92/1195205892.db2.gz OMBJLUBSPMEFFZ-IRXDYDNUSA-N 2 2 378.521 1.457 20 0 GCADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438328943 1195205895 /nfs/dbraw/zinc/20/58/95/1195205895.db2.gz OMBJLUBSPMEFFZ-IRXDYDNUSA-N 2 2 378.521 1.457 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)O1 ZINC000438353921 1195210920 /nfs/dbraw/zinc/21/09/20/1195210920.db2.gz FJCZXPHFXZWULH-CALCHBBNSA-N 2 2 394.520 0.836 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)O1 ZINC000438353921 1195210922 /nfs/dbraw/zinc/21/09/22/1195210922.db2.gz FJCZXPHFXZWULH-CALCHBBNSA-N 2 2 394.520 0.836 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000517914189 1195228901 /nfs/dbraw/zinc/22/89/01/1195228901.db2.gz JHCDROKCLMTOOR-MRXNPFEDSA-N 2 2 376.505 0.353 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000517914189 1195228905 /nfs/dbraw/zinc/22/89/05/1195228905.db2.gz JHCDROKCLMTOOR-MRXNPFEDSA-N 2 2 376.505 0.353 20 0 GCADLP C[C@@H]1C[N@@H+](CCCCCN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000518212070 1195267900 /nfs/dbraw/zinc/26/79/00/1195267900.db2.gz LUNXGULAHSYREV-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[N@H+](CCCCCN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000518212070 1195267901 /nfs/dbraw/zinc/26/79/01/1195267901.db2.gz LUNXGULAHSYREV-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCCCCN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000518212070 1195267902 /nfs/dbraw/zinc/26/79/02/1195267902.db2.gz LUNXGULAHSYREV-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCCCCN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000518212070 1195267904 /nfs/dbraw/zinc/26/79/04/1195267904.db2.gz LUNXGULAHSYREV-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000653374915 1195270589 /nfs/dbraw/zinc/27/05/89/1195270589.db2.gz SELXFRXEVGKHPD-IBGZPJMESA-N 2 2 390.528 0.456 20 0 GCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000653374915 1195270593 /nfs/dbraw/zinc/27/05/93/1195270593.db2.gz SELXFRXEVGKHPD-IBGZPJMESA-N 2 2 390.528 0.456 20 0 GCADLP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653374915 1195270598 /nfs/dbraw/zinc/27/05/98/1195270598.db2.gz SELXFRXEVGKHPD-IBGZPJMESA-N 2 2 390.528 0.456 20 0 GCADLP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653374915 1195270600 /nfs/dbraw/zinc/27/06/00/1195270600.db2.gz SELXFRXEVGKHPD-IBGZPJMESA-N 2 2 390.528 0.456 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000518583656 1195306503 /nfs/dbraw/zinc/30/65/03/1195306503.db2.gz YJNQAUOHTAREQR-UHFFFAOYSA-N 2 2 396.532 0.509 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385643 1195320321 /nfs/dbraw/zinc/32/03/21/1195320321.db2.gz PRKCHYDIJAVQPF-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385643 1195320323 /nfs/dbraw/zinc/32/03/23/1195320323.db2.gz PRKCHYDIJAVQPF-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385643 1195320327 /nfs/dbraw/zinc/32/03/27/1195320327.db2.gz PRKCHYDIJAVQPF-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385643 1195320330 /nfs/dbraw/zinc/32/03/30/1195320330.db2.gz PRKCHYDIJAVQPF-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP CCOC1CC(CNC(=O)NCC[NH+]2CCC(O)CC2)([NH+]2CCOCC2)C1 ZINC000894463825 1195428482 /nfs/dbraw/zinc/42/84/82/1195428482.db2.gz AGFSBXAWRWTWMG-UHFFFAOYSA-N 2 2 384.521 0.012 20 0 GCADLP CNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000111267196 1195438123 /nfs/dbraw/zinc/43/81/23/1195438123.db2.gz JJCXILHIWNTWJZ-IBGZPJMESA-N 2 2 388.512 0.593 20 0 GCADLP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000111267196 1195438126 /nfs/dbraw/zinc/43/81/26/1195438126.db2.gz JJCXILHIWNTWJZ-IBGZPJMESA-N 2 2 388.512 0.593 20 0 GCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000415161052 1195440750 /nfs/dbraw/zinc/44/07/50/1195440750.db2.gz MCLIGTJEXBDLQS-HNNXBMFYSA-N 2 2 390.484 0.830 20 0 GCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000415161052 1195440754 /nfs/dbraw/zinc/44/07/54/1195440754.db2.gz MCLIGTJEXBDLQS-HNNXBMFYSA-N 2 2 390.484 0.830 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+][C@H]2COCC2(C)C)CC3)CC1 ZINC000894559180 1195443322 /nfs/dbraw/zinc/44/33/22/1195443322.db2.gz MPKASPBVJOFQAU-YJBOKZPZSA-N 2 2 375.517 0.848 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550129782 1195444972 /nfs/dbraw/zinc/44/49/72/1195444972.db2.gz OYLJPVASPYQZCA-SFHVURJKSA-N 2 2 382.549 0.840 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000550133447 1195445652 /nfs/dbraw/zinc/44/56/52/1195445652.db2.gz OVONSNWLEIVIHT-UHFFFAOYSA-N 3 2 381.565 0.461 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000550133447 1195445653 /nfs/dbraw/zinc/44/56/53/1195445653.db2.gz OVONSNWLEIVIHT-UHFFFAOYSA-N 3 2 381.565 0.461 20 0 GCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000550192120 1195456422 /nfs/dbraw/zinc/45/64/22/1195456422.db2.gz YAESTZVCNOBSBQ-GASCZTMLSA-N 2 2 380.533 0.733 20 0 GCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000550192120 1195456424 /nfs/dbraw/zinc/45/64/24/1195456424.db2.gz YAESTZVCNOBSBQ-GASCZTMLSA-N 2 2 380.533 0.733 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@@H](C)O1 ZINC000550208561 1195460998 /nfs/dbraw/zinc/46/09/98/1195460998.db2.gz FNHHTCOIUXDUQK-ZACQAIPSSA-N 2 2 380.533 0.687 20 0 GCADLP CC(C)[N@H+](C)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000102014271 1195468892 /nfs/dbraw/zinc/46/88/92/1195468892.db2.gz DYKDLEKXSRJNQV-UHFFFAOYSA-N 2 2 376.505 0.760 20 0 GCADLP CC(C)[N@@H+](C)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000102014271 1195468894 /nfs/dbraw/zinc/46/88/94/1195468894.db2.gz DYKDLEKXSRJNQV-UHFFFAOYSA-N 2 2 376.505 0.760 20 0 GCADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000507300738 1195510674 /nfs/dbraw/zinc/51/06/74/1195510674.db2.gz JCXNWNYMNPJGRC-AWEZNQCLSA-N 2 2 375.473 0.678 20 0 GCADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000507300738 1195510678 /nfs/dbraw/zinc/51/06/78/1195510678.db2.gz JCXNWNYMNPJGRC-AWEZNQCLSA-N 2 2 375.473 0.678 20 0 GCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000550287697 1195528910 /nfs/dbraw/zinc/52/89/10/1195528910.db2.gz QOJAJKWXFUJTDJ-UHFFFAOYSA-N 2 2 382.549 0.792 20 0 GCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000550287697 1195528912 /nfs/dbraw/zinc/52/89/12/1195528912.db2.gz QOJAJKWXFUJTDJ-UHFFFAOYSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@H](C)CO1 ZINC000664883777 1195551368 /nfs/dbraw/zinc/55/13/68/1195551368.db2.gz MUPDWNFYGLLBMW-VUCRHFMTSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@H](C)CO1 ZINC000664883777 1195551369 /nfs/dbraw/zinc/55/13/69/1195551369.db2.gz MUPDWNFYGLLBMW-VUCRHFMTSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@H](C)CO1 ZINC000664883777 1195551374 /nfs/dbraw/zinc/55/13/74/1195551374.db2.gz MUPDWNFYGLLBMW-VUCRHFMTSA-N 2 2 395.548 0.478 20 0 GCADLP O=C(N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000519771307 1195568799 /nfs/dbraw/zinc/56/87/99/1195568799.db2.gz MAWOQKKRIFBMNZ-OXQOHEQNSA-N 2 2 386.500 0.352 20 0 GCADLP O=C(N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000519771307 1195568800 /nfs/dbraw/zinc/56/88/00/1195568800.db2.gz MAWOQKKRIFBMNZ-OXQOHEQNSA-N 2 2 386.500 0.352 20 0 GCADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000440691601 1195575040 /nfs/dbraw/zinc/57/50/40/1195575040.db2.gz HTSBXCVAVURYML-UHFFFAOYSA-N 2 2 396.557 0.785 20 0 GCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000441090981 1195602399 /nfs/dbraw/zinc/60/23/99/1195602399.db2.gz UNLVRMIOSIDNAG-CVEARBPZSA-N 2 2 392.504 0.095 20 0 GCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000441090981 1195602401 /nfs/dbraw/zinc/60/24/01/1195602401.db2.gz UNLVRMIOSIDNAG-CVEARBPZSA-N 2 2 392.504 0.095 20 0 GCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000441240079 1195613892 /nfs/dbraw/zinc/61/38/92/1195613892.db2.gz AFAQJLVWXXDJKS-SQNIBIBYSA-N 2 2 382.549 0.397 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)CC1 ZINC000427561841 1195634591 /nfs/dbraw/zinc/63/45/91/1195634591.db2.gz DUXMRQSKUZXQER-QGZVFWFLSA-N 2 2 398.467 1.163 20 0 GCADLP CC(C)Nc1nc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000550334616 1195635749 /nfs/dbraw/zinc/63/57/49/1195635749.db2.gz RKXUPBNIMPVOKP-HNNXBMFYSA-N 2 2 393.923 0.730 20 0 GCADLP CC(C)Nc1nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc(NCCO)[nH+]1 ZINC000550345598 1195639188 /nfs/dbraw/zinc/63/91/88/1195639188.db2.gz GXIXHPXLSNCUAM-OAHLLOKOSA-N 2 2 389.504 0.594 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355080 1195641166 /nfs/dbraw/zinc/64/11/66/1195641166.db2.gz BITMEWPASLTQLK-ROUUACIJSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355080 1195641169 /nfs/dbraw/zinc/64/11/69/1195641169.db2.gz BITMEWPASLTQLK-ROUUACIJSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000427564941 1195641197 /nfs/dbraw/zinc/64/11/97/1195641197.db2.gz LQYCVCGEJAKSAZ-NVXWUHKLSA-N 2 2 399.499 1.395 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000550355978 1195642634 /nfs/dbraw/zinc/64/26/34/1195642634.db2.gz KPUCQPPTEONSHX-GOSISDBHSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000550358798 1195643812 /nfs/dbraw/zinc/64/38/12/1195643812.db2.gz FJGKTBXVSPGFNT-ZWKOTPCHSA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000550358798 1195643814 /nfs/dbraw/zinc/64/38/14/1195643814.db2.gz FJGKTBXVSPGFNT-ZWKOTPCHSA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383747 1195651568 /nfs/dbraw/zinc/65/15/68/1195651568.db2.gz RYWHLHVYUJIJQI-QZTJIDSGSA-N 2 2 381.565 0.173 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383747 1195651570 /nfs/dbraw/zinc/65/15/70/1195651570.db2.gz RYWHLHVYUJIJQI-QZTJIDSGSA-N 2 2 381.565 0.173 20 0 GCADLP C[C@H](CNc1cc(NC[C@H](C)N2CC[NH+](C)CC2)ncn1)N1CC[NH+](C)CC1 ZINC000123529774 1195652368 /nfs/dbraw/zinc/65/23/68/1195652368.db2.gz HSNGISKHHIFRCN-HDICACEKSA-N 2 2 390.580 0.572 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000550388082 1195653848 /nfs/dbraw/zinc/65/38/48/1195653848.db2.gz KMXREOUKVOFCFK-HNNXBMFYSA-N 2 2 382.505 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000550388082 1195653850 /nfs/dbraw/zinc/65/38/50/1195653850.db2.gz KMXREOUKVOFCFK-HNNXBMFYSA-N 2 2 382.505 0.073 20 0 GCADLP CN(C(=O)CN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000328664583 1195658537 /nfs/dbraw/zinc/65/85/37/1195658537.db2.gz BVGPXNFREXTIIO-UHFFFAOYSA-N 2 2 393.576 0.559 20 0 GCADLP CC(C)(O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000328883951 1195674066 /nfs/dbraw/zinc/67/40/66/1195674066.db2.gz NPFTUXUFMJQAKA-UHFFFAOYSA-N 2 2 380.558 0.781 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000328954924 1195678564 /nfs/dbraw/zinc/67/85/64/1195678564.db2.gz OPNZYYVHJOKSDI-ZIFCJYIRSA-N 2 2 379.549 0.023 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000328954924 1195678566 /nfs/dbraw/zinc/67/85/66/1195678566.db2.gz OPNZYYVHJOKSDI-ZIFCJYIRSA-N 2 2 379.549 0.023 20 0 GCADLP CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124594040 1195681542 /nfs/dbraw/zinc/68/15/42/1195681542.db2.gz KTRGJBYQANEZBQ-SJORKVTESA-N 2 2 391.520 0.173 20 0 GCADLP CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124594040 1195681544 /nfs/dbraw/zinc/68/15/44/1195681544.db2.gz KTRGJBYQANEZBQ-SJORKVTESA-N 2 2 391.520 0.173 20 0 GCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+](C)CCO1)CC(C)(C)C ZINC001719866025 1195753427 /nfs/dbraw/zinc/75/34/27/1195753427.db2.gz CTMDNMNNLWIZIJ-LTIDMASMSA-N 2 2 380.533 0.543 20 0 GCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+](C)CCO1)CC(C)(C)C ZINC001719866025 1195753428 /nfs/dbraw/zinc/75/34/28/1195753428.db2.gz CTMDNMNNLWIZIJ-LTIDMASMSA-N 2 2 380.533 0.543 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)CCO1)CC(C)(C)C ZINC001719866025 1195753432 /nfs/dbraw/zinc/75/34/32/1195753432.db2.gz CTMDNMNNLWIZIJ-LTIDMASMSA-N 2 2 380.533 0.543 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)CCO1)CC(C)(C)C ZINC001719866025 1195753436 /nfs/dbraw/zinc/75/34/36/1195753436.db2.gz CTMDNMNNLWIZIJ-LTIDMASMSA-N 2 2 380.533 0.543 20 0 GCADLP CN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645399351 1195786362 /nfs/dbraw/zinc/78/63/62/1195786362.db2.gz ZCJMBZQFGQPZHM-KURKYZTESA-N 2 2 388.512 0.565 20 0 GCADLP CN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645399351 1195786366 /nfs/dbraw/zinc/78/63/66/1195786366.db2.gz ZCJMBZQFGQPZHM-KURKYZTESA-N 2 2 388.512 0.565 20 0 GCADLP C[C@H](CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000474018148 1195857577 /nfs/dbraw/zinc/85/75/77/1195857577.db2.gz FGPYNUIDALPFHU-OAHLLOKOSA-N 2 2 390.532 0.852 20 0 GCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[NH+]1CCCC1 ZINC000550447039 1195881385 /nfs/dbraw/zinc/88/13/85/1195881385.db2.gz RCNGESVTJHOTJJ-QGZVFWFLSA-N 2 2 385.468 0.961 20 0 GCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000520793931 1195909016 /nfs/dbraw/zinc/90/90/16/1195909016.db2.gz SZZYLELDQZPETG-RDJZCZTQSA-N 2 2 383.514 0.564 20 0 GCADLP O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000520819482 1195925753 /nfs/dbraw/zinc/92/57/53/1195925753.db2.gz BLAFZCZLWMBLLH-VQTJNVASSA-N 2 2 384.524 0.807 20 0 GCADLP Cc1n[nH]c(C)c1NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809127 1195929508 /nfs/dbraw/zinc/92/95/08/1195929508.db2.gz USJGJMFKONOGIS-YYIAUSFCSA-N 2 2 388.516 0.838 20 0 GCADLP Cc1n[nH]c(C)c1NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809127 1195929511 /nfs/dbraw/zinc/92/95/11/1195929511.db2.gz USJGJMFKONOGIS-YYIAUSFCSA-N 2 2 388.516 0.838 20 0 GCADLP Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809127 1195929514 /nfs/dbraw/zinc/92/95/14/1195929514.db2.gz USJGJMFKONOGIS-YYIAUSFCSA-N 2 2 388.516 0.838 20 0 GCADLP Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809127 1195929517 /nfs/dbraw/zinc/92/95/17/1195929517.db2.gz USJGJMFKONOGIS-YYIAUSFCSA-N 2 2 388.516 0.838 20 0 GCADLP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000520980530 1195949053 /nfs/dbraw/zinc/94/90/53/1195949053.db2.gz GZHRDSPXRAXAIU-HOTGVXAUSA-N 2 2 383.537 0.338 20 0 GCADLP Cn1cc(N2CCC[C@H]([NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)C2=O)cn1 ZINC000521253274 1195983059 /nfs/dbraw/zinc/98/30/59/1195983059.db2.gz XGMNMCWEFBBFGW-INIZCTEOSA-N 2 2 384.488 0.490 20 0 GCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442762750 1196001471 /nfs/dbraw/zinc/00/14/71/1196001471.db2.gz AFMNEBPNGHPXQW-CABCVRRESA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442762750 1196001474 /nfs/dbraw/zinc/00/14/74/1196001474.db2.gz AFMNEBPNGHPXQW-CABCVRRESA-N 2 2 396.513 0.315 20 0 GCADLP CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000442778511 1196003132 /nfs/dbraw/zinc/00/31/32/1196003132.db2.gz KQJRLZTUOZXMQH-DOTOQJQBSA-N 2 2 396.532 0.317 20 0 GCADLP C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442768060 1196003502 /nfs/dbraw/zinc/00/35/02/1196003502.db2.gz NRJSDNCVLRXIKH-SJPCQFCGSA-N 2 2 379.549 0.260 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442768060 1196003507 /nfs/dbraw/zinc/00/35/07/1196003507.db2.gz NRJSDNCVLRXIKH-SJPCQFCGSA-N 2 2 379.549 0.260 20 0 GCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442790605 1196004422 /nfs/dbraw/zinc/00/44/22/1196004422.db2.gz LWPKRKZQSDGQLY-LSDHHAIUSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442790605 1196004424 /nfs/dbraw/zinc/00/44/24/1196004424.db2.gz LWPKRKZQSDGQLY-LSDHHAIUSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1C(=O)c2ccccc2C1=O ZINC000665295136 1196005125 /nfs/dbraw/zinc/00/51/25/1196005125.db2.gz QLMGKVNMFJJYEH-HUUCEWRRSA-N 2 2 384.480 0.956 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1C(=O)c2ccccc2C1=O ZINC000665295136 1196005127 /nfs/dbraw/zinc/00/51/27/1196005127.db2.gz QLMGKVNMFJJYEH-HUUCEWRRSA-N 2 2 384.480 0.956 20 0 GCADLP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000443067888 1196017831 /nfs/dbraw/zinc/01/78/31/1196017831.db2.gz HAQDGCYRORZAKW-ULQDDVLXSA-N 2 2 387.546 0.242 20 0 GCADLP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000443067888 1196017835 /nfs/dbraw/zinc/01/78/35/1196017835.db2.gz HAQDGCYRORZAKW-ULQDDVLXSA-N 2 2 387.546 0.242 20 0 GCADLP C[C@@H](O)C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H](C)CO ZINC000443334788 1196040910 /nfs/dbraw/zinc/04/09/10/1196040910.db2.gz NCJUPFKNOVFQQP-IAGOWNOFSA-N 2 2 379.501 0.199 20 0 GCADLP C[C@@H](O)C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H](C)CO ZINC000443334788 1196040911 /nfs/dbraw/zinc/04/09/11/1196040911.db2.gz NCJUPFKNOVFQQP-IAGOWNOFSA-N 2 2 379.501 0.199 20 0 GCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000550494770 1196056441 /nfs/dbraw/zinc/05/64/41/1196056441.db2.gz QYUAPNCULLSBKB-QZTJIDSGSA-N 2 2 380.533 0.738 20 0 GCADLP CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895253451 1196070751 /nfs/dbraw/zinc/07/07/51/1196070751.db2.gz FXUOYEQJMMRCCP-STQMWFEESA-N 2 2 392.424 0.971 20 0 GCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000550576532 1196092032 /nfs/dbraw/zinc/09/20/32/1196092032.db2.gz HLLHVUYFGQWWEB-IYBDPMFKSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000550576532 1196092033 /nfs/dbraw/zinc/09/20/33/1196092033.db2.gz HLLHVUYFGQWWEB-IYBDPMFKSA-N 2 2 380.533 0.545 20 0 GCADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000895890051 1196116560 /nfs/dbraw/zinc/11/65/60/1196116560.db2.gz BUQZBMFEDHCNKZ-IBGZPJMESA-N 2 2 389.544 0.559 20 0 GCADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)CC1 ZINC000896234385 1196134174 /nfs/dbraw/zinc/13/41/74/1196134174.db2.gz MKQPRPUKBTVIQN-UHFFFAOYSA-N 2 2 381.521 0.001 20 0 GCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971877 1196142505 /nfs/dbraw/zinc/14/25/05/1196142505.db2.gz XXCNUPVPFODXPZ-LVQVYYBASA-N 2 2 377.489 0.837 20 0 GCADLP COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971877 1196142506 /nfs/dbraw/zinc/14/25/06/1196142506.db2.gz XXCNUPVPFODXPZ-LVQVYYBASA-N 2 2 377.489 0.837 20 0 GCADLP COCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971877 1196142507 /nfs/dbraw/zinc/14/25/07/1196142507.db2.gz XXCNUPVPFODXPZ-LVQVYYBASA-N 2 2 377.489 0.837 20 0 GCADLP COCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971877 1196142510 /nfs/dbraw/zinc/14/25/10/1196142510.db2.gz XXCNUPVPFODXPZ-LVQVYYBASA-N 2 2 377.489 0.837 20 0 GCADLP COCCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971830 1196142813 /nfs/dbraw/zinc/14/28/13/1196142813.db2.gz VXMKHLHIQRJHLW-WCXIOVBPSA-N 2 2 391.516 0.879 20 0 GCADLP COCCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971830 1196142816 /nfs/dbraw/zinc/14/28/16/1196142816.db2.gz VXMKHLHIQRJHLW-WCXIOVBPSA-N 2 2 391.516 0.879 20 0 GCADLP COCCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971830 1196142819 /nfs/dbraw/zinc/14/28/19/1196142819.db2.gz VXMKHLHIQRJHLW-WCXIOVBPSA-N 2 2 391.516 0.879 20 0 GCADLP COCCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971830 1196142820 /nfs/dbraw/zinc/14/28/20/1196142820.db2.gz VXMKHLHIQRJHLW-WCXIOVBPSA-N 2 2 391.516 0.879 20 0 GCADLP COc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000329107343 1196164733 /nfs/dbraw/zinc/16/47/33/1196164733.db2.gz DUSPRAFCKNKBHO-UHFFFAOYSA-N 2 2 389.500 0.401 20 0 GCADLP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329279417 1196182210 /nfs/dbraw/zinc/18/22/10/1196182210.db2.gz MMRFJJIMIQCZTL-IRXDYDNUSA-N 2 2 380.533 0.498 20 0 GCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329469378 1196199028 /nfs/dbraw/zinc/19/90/28/1196199028.db2.gz XMJFXGZUTVPGJM-RTBURBONSA-N 2 2 392.544 0.644 20 0 GCADLP C[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329651283 1196215791 /nfs/dbraw/zinc/21/57/91/1196215791.db2.gz CSLUJFFXMRFZHX-CVEARBPZSA-N 2 2 393.532 0.438 20 0 GCADLP CN(C(=O)[C@@H]1C[C@]12CCOC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329658313 1196216258 /nfs/dbraw/zinc/21/62/58/1196216258.db2.gz NIDRLQWRKCVZEF-PXNSSMCTSA-N 2 2 378.517 0.110 20 0 GCADLP CC(C)n1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088012152 1196217129 /nfs/dbraw/zinc/21/71/29/1196217129.db2.gz VHAPOUBHSDFADO-VXIBKDFQSA-N 2 2 390.532 0.858 20 0 GCADLP CC(C)n1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088012152 1196217133 /nfs/dbraw/zinc/21/71/33/1196217133.db2.gz VHAPOUBHSDFADO-VXIBKDFQSA-N 2 2 390.532 0.858 20 0 GCADLP CC(C)n1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088012152 1196217136 /nfs/dbraw/zinc/21/71/36/1196217136.db2.gz VHAPOUBHSDFADO-VXIBKDFQSA-N 2 2 390.532 0.858 20 0 GCADLP CC(C)n1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088012152 1196217139 /nfs/dbraw/zinc/21/71/39/1196217139.db2.gz VHAPOUBHSDFADO-VXIBKDFQSA-N 2 2 390.532 0.858 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000984905538 1196226178 /nfs/dbraw/zinc/22/61/78/1196226178.db2.gz MRRXVMQVNOOEFA-XLNGHYISSA-N 2 2 377.489 0.406 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000984905538 1196226180 /nfs/dbraw/zinc/22/61/80/1196226180.db2.gz MRRXVMQVNOOEFA-XLNGHYISSA-N 2 2 377.489 0.406 20 0 GCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329872962 1196235318 /nfs/dbraw/zinc/23/53/18/1196235318.db2.gz DLWCGKZZBIVUND-HDICACEKSA-N 3 2 393.576 0.556 20 0 GCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329872962 1196235322 /nfs/dbraw/zinc/23/53/22/1196235322.db2.gz DLWCGKZZBIVUND-HDICACEKSA-N 3 2 393.576 0.556 20 0 GCADLP CN(C(=O)[C@H]1CCCCC(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329878835 1196235587 /nfs/dbraw/zinc/23/55/87/1196235587.db2.gz LJYKZADNVRLCCJ-QGZVFWFLSA-N 2 2 393.532 0.582 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088049793 1196246145 /nfs/dbraw/zinc/24/61/45/1196246145.db2.gz YOBQKDVVUZIOBK-HCXYKTFWSA-N 2 2 381.517 0.029 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088049793 1196246149 /nfs/dbraw/zinc/24/61/49/1196246149.db2.gz YOBQKDVVUZIOBK-HCXYKTFWSA-N 2 2 381.517 0.029 20 0 GCADLP CC(C)(O)C[NH+]1CCC([NH2+]CC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC000896889557 1196262095 /nfs/dbraw/zinc/26/20/95/1196262095.db2.gz YGBOJPYFTDGBIV-UHFFFAOYSA-N 2 2 376.501 0.244 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)Cn1cc[nH+]c1C ZINC000985057376 1196335150 /nfs/dbraw/zinc/33/51/50/1196335150.db2.gz XVRAQOWPKQVYSJ-XLNGHYISSA-N 2 2 377.489 0.406 20 0 GCADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000897002295 1196382551 /nfs/dbraw/zinc/38/25/51/1196382551.db2.gz UPXZLGIWYNPYPE-HZPDHXFCSA-N 2 2 382.505 0.374 20 0 GCADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000897002295 1196382554 /nfs/dbraw/zinc/38/25/54/1196382554.db2.gz UPXZLGIWYNPYPE-HZPDHXFCSA-N 2 2 382.505 0.374 20 0 GCADLP CO[C@@](C)([C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643422490 1196415278 /nfs/dbraw/zinc/41/52/78/1196415278.db2.gz MWMAWHHZPYMNAG-XERREHJYSA-N 2 2 394.560 0.933 20 0 GCADLP CO[C@@](C)([C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643422490 1196415282 /nfs/dbraw/zinc/41/52/82/1196415282.db2.gz MWMAWHHZPYMNAG-XERREHJYSA-N 2 2 394.560 0.933 20 0 GCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000301983344 1196437470 /nfs/dbraw/zinc/43/74/70/1196437470.db2.gz YKEIJYQABIDTKY-WBVHZDCISA-N 2 2 388.516 0.604 20 0 GCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000301983344 1196437473 /nfs/dbraw/zinc/43/74/73/1196437473.db2.gz YKEIJYQABIDTKY-WBVHZDCISA-N 2 2 388.516 0.604 20 0 GCADLP Nc1nc(-n2cccn2)cc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[nH+]1 ZINC000301974866 1196437561 /nfs/dbraw/zinc/43/75/61/1196437561.db2.gz KXRHTWVOMBCSSJ-UHFFFAOYSA-N 2 2 393.455 0.790 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000110537785 1196489785 /nfs/dbraw/zinc/48/97/85/1196489785.db2.gz GEXJASGFGMGOLX-QGZVFWFLSA-N 2 2 388.516 0.430 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000110537785 1196489788 /nfs/dbraw/zinc/48/97/88/1196489788.db2.gz GEXJASGFGMGOLX-QGZVFWFLSA-N 2 2 388.516 0.430 20 0 GCADLP CN(CCN(CC[NH+]1CCCC1)C(=O)C1([NH+](C)C)CC1)C(=O)C1([NH+](C)C)CC1 ZINC000614806386 1196493146 /nfs/dbraw/zinc/49/31/46/1196493146.db2.gz MWDNPQJZSGFQFG-UHFFFAOYSA-N 3 2 393.576 0.558 20 0 GCADLP CN(C)C1(C(=O)N(CCN(C)C(=O)C2([NH+](C)C)CC2)CC[NH+]2CCCC2)CC1 ZINC000614806386 1196493148 /nfs/dbraw/zinc/49/31/48/1196493148.db2.gz MWDNPQJZSGFQFG-UHFFFAOYSA-N 2 2 393.576 0.558 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000523208970 1196502290 /nfs/dbraw/zinc/50/22/90/1196502290.db2.gz SMRSZSBKSWNDGD-INIZCTEOSA-N 2 2 383.537 0.339 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000523208970 1196502297 /nfs/dbraw/zinc/50/22/97/1196502297.db2.gz SMRSZSBKSWNDGD-INIZCTEOSA-N 2 2 383.537 0.339 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000523208970 1196502302 /nfs/dbraw/zinc/50/23/02/1196502302.db2.gz SMRSZSBKSWNDGD-INIZCTEOSA-N 2 2 383.537 0.339 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000523208970 1196502306 /nfs/dbraw/zinc/50/23/06/1196502306.db2.gz SMRSZSBKSWNDGD-INIZCTEOSA-N 2 2 383.537 0.339 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(CS(N)(=O)=O)c3)CC2)CC1 ZINC000523366596 1196518832 /nfs/dbraw/zinc/51/88/32/1196518832.db2.gz UACGPSBARAEXDB-UHFFFAOYSA-N 2 2 394.541 0.764 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000523483274 1196528096 /nfs/dbraw/zinc/52/80/96/1196528096.db2.gz BWAIEGGBHMMALK-INIZCTEOSA-N 2 2 383.537 0.245 20 0 GCADLP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000114024522 1196551999 /nfs/dbraw/zinc/55/19/99/1196551999.db2.gz NNQKQEDUXILLEE-UHFFFAOYSA-N 3 2 381.565 0.955 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000446256619 1196629077 /nfs/dbraw/zinc/62/90/77/1196629077.db2.gz BNNFCNVYDSPYJH-YRISNDGFSA-N 2 2 392.544 0.676 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000446256619 1196629080 /nfs/dbraw/zinc/62/90/80/1196629080.db2.gz BNNFCNVYDSPYJH-YRISNDGFSA-N 2 2 392.544 0.676 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524990837 1196643594 /nfs/dbraw/zinc/64/35/94/1196643594.db2.gz CPCIAKHKEIRXDX-XLIONFOSSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524990837 1196643597 /nfs/dbraw/zinc/64/35/97/1196643597.db2.gz CPCIAKHKEIRXDX-XLIONFOSSA-N 2 2 376.501 0.643 20 0 GCADLP COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000447065473 1196690794 /nfs/dbraw/zinc/69/07/94/1196690794.db2.gz ANZWWYJMHUZXRM-AEFFLSMTSA-N 2 2 379.505 0.074 20 0 GCADLP CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](O)C[NH+]2CCC([C@H](C)NC(C)=O)CC2)CC1 ZINC000447316510 1196707153 /nfs/dbraw/zinc/70/71/53/1196707153.db2.gz YXHYWYTXKXXOSL-VPTLXERWSA-N 2 2 396.576 0.821 20 0 GCADLP O[C@@H](C[NH+]1CCC(O[C@@H]2CCOC2)CC1)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000447301262 1196707748 /nfs/dbraw/zinc/70/77/48/1196707748.db2.gz IPLSAFSDCHYZAR-ZHPFXUNLSA-N 2 2 398.544 0.887 20 0 GCADLP OC(C[NH+]1CCC(O[C@H]2CCOC2)CC1)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000447301261 1196707784 /nfs/dbraw/zinc/70/77/84/1196707784.db2.gz IPLSAFSDCHYZAR-SFTDATJTSA-N 2 2 398.544 0.887 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](c2nnc(N3CCC(C)([NH+]4CCOCC4)CC3)n2C)O1 ZINC000624792148 1196782246 /nfs/dbraw/zinc/78/22/46/1196782246.db2.gz OOUYBNDJCPYRCL-HZPDHXFCSA-N 2 2 378.521 0.898 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](c2nnc(N3CCC(C)([NH+]4CCOCC4)CC3)n2C)O1 ZINC000624792148 1196782250 /nfs/dbraw/zinc/78/22/50/1196782250.db2.gz OOUYBNDJCPYRCL-HZPDHXFCSA-N 2 2 378.521 0.898 20 0 GCADLP COC(=O)Cn1cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000449326161 1196868536 /nfs/dbraw/zinc/86/85/36/1196868536.db2.gz SRBGVMMFYGQVHI-IYBDPMFKSA-N 2 2 395.504 0.541 20 0 GCADLP COC(=O)Cn1cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000449326161 1196868540 /nfs/dbraw/zinc/86/85/40/1196868540.db2.gz SRBGVMMFYGQVHI-IYBDPMFKSA-N 2 2 395.504 0.541 20 0 GCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](CO)[C@H](CO)C3)CC2)cc1 ZINC000528606308 1196871955 /nfs/dbraw/zinc/87/19/55/1196871955.db2.gz UXWWJQHYXOMYOR-OALUTQOASA-N 2 2 391.512 0.262 20 0 GCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](CO)[C@H](CO)C3)CC2)cc1 ZINC000528606308 1196871960 /nfs/dbraw/zinc/87/19/60/1196871960.db2.gz UXWWJQHYXOMYOR-OALUTQOASA-N 2 2 391.512 0.262 20 0 GCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000528677329 1196877463 /nfs/dbraw/zinc/87/74/63/1196877463.db2.gz ZHGKFNDTEXGMTC-HNNXBMFYSA-N 2 2 391.472 0.193 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@](C)(CO)[C@](C)(CO)C3)CC2)c1 ZINC000528748235 1196884046 /nfs/dbraw/zinc/88/40/46/1196884046.db2.gz GLYGFIYEDBEHCM-SZPZYZBQSA-N 2 2 389.540 0.952 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@](C)(CO)[C@](C)(CO)C3)CC2)c1 ZINC000528748235 1196884053 /nfs/dbraw/zinc/88/40/53/1196884053.db2.gz GLYGFIYEDBEHCM-SZPZYZBQSA-N 2 2 389.540 0.952 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000153941127 1196902877 /nfs/dbraw/zinc/90/28/77/1196902877.db2.gz SACAAZNWHDVOHV-OTWHNJEPSA-N 2 2 393.576 0.556 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000153941127 1196902880 /nfs/dbraw/zinc/90/28/80/1196902880.db2.gz SACAAZNWHDVOHV-OTWHNJEPSA-N 2 2 393.576 0.556 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529290922 1196912265 /nfs/dbraw/zinc/91/22/65/1196912265.db2.gz GNFDFZZJSUFSPA-IBGZPJMESA-N 2 2 375.517 0.612 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000529377959 1196918533 /nfs/dbraw/zinc/91/85/33/1196918533.db2.gz RSPMILIQCUFSIH-MRXNPFEDSA-N 2 2 378.473 0.390 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](O)[C@H](OC)C3)CC2)cc1 ZINC000451760655 1197014163 /nfs/dbraw/zinc/01/41/63/1197014163.db2.gz NVIJSAIPQANRGQ-RTBURBONSA-N 2 2 377.485 0.421 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](O)[C@H](OC)C3)CC2)cc1 ZINC000451760655 1197014168 /nfs/dbraw/zinc/01/41/68/1197014168.db2.gz NVIJSAIPQANRGQ-RTBURBONSA-N 2 2 377.485 0.421 20 0 GCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](O)[C@H](OC)C3)CC2)cc1 ZINC000451760655 1197014170 /nfs/dbraw/zinc/01/41/70/1197014170.db2.gz NVIJSAIPQANRGQ-RTBURBONSA-N 2 2 377.485 0.421 20 0 GCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](O)[C@H](OC)C3)CC2)cc1 ZINC000451760655 1197014174 /nfs/dbraw/zinc/01/41/74/1197014174.db2.gz NVIJSAIPQANRGQ-RTBURBONSA-N 2 2 377.485 0.421 20 0 GCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530835464 1197020033 /nfs/dbraw/zinc/02/00/33/1197020033.db2.gz VKPDRMDWDVAHIJ-UWJYYQICSA-N 2 2 389.496 0.719 20 0 GCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530835464 1197020036 /nfs/dbraw/zinc/02/00/36/1197020036.db2.gz VKPDRMDWDVAHIJ-UWJYYQICSA-N 2 2 389.496 0.719 20 0 GCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000530950237 1197032543 /nfs/dbraw/zinc/03/25/43/1197032543.db2.gz WYWWIZUJYXGFDV-UHFFFAOYSA-N 2 2 390.532 0.579 20 0 GCADLP CN(C)C(=O)N[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)C1 ZINC000452025438 1197033626 /nfs/dbraw/zinc/03/36/26/1197033626.db2.gz XASFXEVBCHUCPW-IRXDYDNUSA-N 2 2 382.553 0.848 20 0 GCADLP CN(C)C(=O)N[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)C1 ZINC000452025438 1197033632 /nfs/dbraw/zinc/03/36/32/1197033632.db2.gz XASFXEVBCHUCPW-IRXDYDNUSA-N 2 2 382.553 0.848 20 0 GCADLP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531938501 1197104566 /nfs/dbraw/zinc/10/45/66/1197104566.db2.gz YWDOKXJMMABSTP-FUHWJXTLSA-N 2 2 393.557 0.606 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000532027689 1197107383 /nfs/dbraw/zinc/10/73/83/1197107383.db2.gz GFTNFBJKGCCESW-FHWLQOOXSA-N 2 2 398.548 0.089 20 0 GCADLP C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C[NH+](C)C ZINC000645558658 1197150986 /nfs/dbraw/zinc/15/09/86/1197150986.db2.gz KBBQMBPIKKZIOV-OAHLLOKOSA-N 2 2 389.500 0.327 20 0 GCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCSC23CN(C(=O)Cn2cc[nH+]c2)C3)CC1 ZINC001272021711 1197161506 /nfs/dbraw/zinc/16/15/06/1197161506.db2.gz HVRBJYDEIKIFIY-HNNXBMFYSA-N 2 2 377.514 0.428 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173918743 1197178626 /nfs/dbraw/zinc/17/86/26/1197178626.db2.gz GEQAKYXHPUEDIM-UHFFFAOYSA-N 2 2 393.536 0.853 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173918743 1197178631 /nfs/dbraw/zinc/17/86/31/1197178631.db2.gz GEQAKYXHPUEDIM-UHFFFAOYSA-N 2 2 393.536 0.853 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000178066742 1197192915 /nfs/dbraw/zinc/19/29/15/1197192915.db2.gz OTYGDXSLTIXDFE-WBVHZDCISA-N 2 2 399.499 0.513 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000178066742 1197192916 /nfs/dbraw/zinc/19/29/16/1197192916.db2.gz OTYGDXSLTIXDFE-WBVHZDCISA-N 2 2 399.499 0.513 20 0 GCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178249357 1197193246 /nfs/dbraw/zinc/19/32/46/1197193246.db2.gz ZKUWQPNZVHQMPG-QZTJIDSGSA-N 2 2 392.544 0.690 20 0 GCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178249357 1197193250 /nfs/dbraw/zinc/19/32/50/1197193250.db2.gz ZKUWQPNZVHQMPG-QZTJIDSGSA-N 2 2 392.544 0.690 20 0 GCADLP O=C1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CN1CC[NH+]1CCOCC1 ZINC000181043754 1197203441 /nfs/dbraw/zinc/20/34/41/1197203441.db2.gz DQXYTQDZPDAAIV-MRXNPFEDSA-N 2 2 379.530 0.635 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000475806601 1197240881 /nfs/dbraw/zinc/24/08/81/1197240881.db2.gz HNYGDQDQDNXJHW-UHFFFAOYSA-N 2 2 391.520 0.651 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000475806601 1197240883 /nfs/dbraw/zinc/24/08/83/1197240883.db2.gz HNYGDQDQDNXJHW-UHFFFAOYSA-N 2 2 391.520 0.651 20 0 GCADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666240645 1197250369 /nfs/dbraw/zinc/25/03/69/1197250369.db2.gz LUYZCDOBGSFKJR-MRXNPFEDSA-N 2 2 375.473 0.786 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000785414679 1197280680 /nfs/dbraw/zinc/28/06/80/1197280680.db2.gz LGCRVIMCIYBZLF-MRXNPFEDSA-N 2 2 392.500 0.796 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000785414679 1197280683 /nfs/dbraw/zinc/28/06/83/1197280683.db2.gz LGCRVIMCIYBZLF-MRXNPFEDSA-N 2 2 392.500 0.796 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC000988026860 1197287774 /nfs/dbraw/zinc/28/77/74/1197287774.db2.gz JVEUGUNBNUJHRA-WCXIOVBPSA-N 2 2 391.516 0.831 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC000988026860 1197287777 /nfs/dbraw/zinc/28/77/77/1197287777.db2.gz JVEUGUNBNUJHRA-WCXIOVBPSA-N 2 2 391.516 0.831 20 0 GCADLP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000532428949 1197294069 /nfs/dbraw/zinc/29/40/69/1197294069.db2.gz OXVWEXWKMVBWRJ-RTBURBONSA-N 2 2 381.565 0.957 20 0 GCADLP CNC(=O)CC[N@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000532546435 1197324496 /nfs/dbraw/zinc/32/44/96/1197324496.db2.gz QXIFNIYCWWIJPX-MRXNPFEDSA-N 2 2 376.501 0.591 20 0 GCADLP CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000532546435 1197324502 /nfs/dbraw/zinc/32/45/02/1197324502.db2.gz QXIFNIYCWWIJPX-MRXNPFEDSA-N 2 2 376.501 0.591 20 0 GCADLP CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000532546434 1197324901 /nfs/dbraw/zinc/32/49/01/1197324901.db2.gz QXIFNIYCWWIJPX-INIZCTEOSA-N 2 2 376.501 0.591 20 0 GCADLP CNC(=O)CC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000532546434 1197324903 /nfs/dbraw/zinc/32/49/03/1197324903.db2.gz QXIFNIYCWWIJPX-INIZCTEOSA-N 2 2 376.501 0.591 20 0 GCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112503705 1197334645 /nfs/dbraw/zinc/33/46/45/1197334645.db2.gz LWXLXJCROXMSCL-MRXNPFEDSA-N 2 2 376.505 0.738 20 0 GCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112503705 1197334651 /nfs/dbraw/zinc/33/46/51/1197334651.db2.gz LWXLXJCROXMSCL-MRXNPFEDSA-N 2 2 376.505 0.738 20 0 GCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112503705 1197334654 /nfs/dbraw/zinc/33/46/54/1197334654.db2.gz LWXLXJCROXMSCL-MRXNPFEDSA-N 2 2 376.505 0.738 20 0 GCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112503705 1197334659 /nfs/dbraw/zinc/33/46/59/1197334659.db2.gz LWXLXJCROXMSCL-MRXNPFEDSA-N 2 2 376.505 0.738 20 0 GCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000114456376 1197336752 /nfs/dbraw/zinc/33/67/52/1197336752.db2.gz NQMHSGNHGMTSSJ-GOSISDBHSA-N 2 2 380.533 0.689 20 0 GCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000114456376 1197336756 /nfs/dbraw/zinc/33/67/56/1197336756.db2.gz NQMHSGNHGMTSSJ-GOSISDBHSA-N 2 2 380.533 0.689 20 0 GCADLP C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000332971420 1197348452 /nfs/dbraw/zinc/34/84/52/1197348452.db2.gz YKXFKSKXSIJENX-GVDBMIGSSA-N 2 2 381.521 0.044 20 0 GCADLP C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000332971420 1197348457 /nfs/dbraw/zinc/34/84/57/1197348457.db2.gz YKXFKSKXSIJENX-GVDBMIGSSA-N 2 2 381.521 0.044 20 0 GCADLP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000126307172 1197357409 /nfs/dbraw/zinc/35/74/09/1197357409.db2.gz ABDHIBJNPUMIHN-IBGZPJMESA-N 2 2 388.512 0.545 20 0 GCADLP CN(CCCNC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000131266536 1197375819 /nfs/dbraw/zinc/37/58/19/1197375819.db2.gz ALUMXIQBFPMIHZ-OAHLLOKOSA-N 2 2 385.534 0.072 20 0 GCADLP CN(CCCNC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000131266536 1197375822 /nfs/dbraw/zinc/37/58/22/1197375822.db2.gz ALUMXIQBFPMIHZ-OAHLLOKOSA-N 2 2 385.534 0.072 20 0 GCADLP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC000418853371 1197377880 /nfs/dbraw/zinc/37/78/80/1197377880.db2.gz JNUGVVNLFZATFC-UHFFFAOYSA-N 2 2 379.530 0.466 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(c4ncccn4)CC3)CC2)CC1 ZINC000051758381 1197383462 /nfs/dbraw/zinc/38/34/62/1197383462.db2.gz XUNALEITDRWJBR-UHFFFAOYSA-N 2 2 387.532 0.867 20 0 GCADLP CC[C@@](C)([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)C(N)=O ZINC000133807548 1197383980 /nfs/dbraw/zinc/38/39/80/1197383980.db2.gz VCJUEHCAGUDKIU-HXUWFJFHSA-N 2 2 376.501 0.973 20 0 GCADLP CC[C@@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)C(N)=O ZINC000133807548 1197383982 /nfs/dbraw/zinc/38/39/82/1197383982.db2.gz VCJUEHCAGUDKIU-HXUWFJFHSA-N 2 2 376.501 0.973 20 0 GCADLP CC(C)(C)OCCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000897483901 1197393185 /nfs/dbraw/zinc/39/31/85/1197393185.db2.gz GYLYFJFGKFBGRM-KRWDZBQOSA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)(C)OCCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000897483901 1197393187 /nfs/dbraw/zinc/39/31/87/1197393187.db2.gz GYLYFJFGKFBGRM-KRWDZBQOSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418903491 1197396772 /nfs/dbraw/zinc/39/67/72/1197396772.db2.gz BHUKLTCTBUMWIW-VQIMIIECSA-N 2 2 388.512 0.863 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000666734159 1197398783 /nfs/dbraw/zinc/39/87/83/1197398783.db2.gz AQGDIFXNMDWFPM-UHFFFAOYSA-N 2 2 388.516 0.491 20 0 GCADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000195259570 1197400569 /nfs/dbraw/zinc/40/05/69/1197400569.db2.gz NIYSSFCVSKBUHC-QGZVFWFLSA-N 2 2 378.517 0.158 20 0 GCADLP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000195258503 1197400754 /nfs/dbraw/zinc/40/07/54/1197400754.db2.gz KUTFTGZVACHXGE-IBGZPJMESA-N 2 2 388.512 0.545 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCOCC1 ZINC000419117659 1197411048 /nfs/dbraw/zinc/41/10/48/1197411048.db2.gz MPNXFOBDSZJPBF-LJQANCHMSA-N 2 2 394.560 0.840 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000532902947 1197419732 /nfs/dbraw/zinc/41/97/32/1197419732.db2.gz OSNVTCQVZCTBDY-GOSISDBHSA-N 2 2 381.565 0.907 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000532902947 1197419734 /nfs/dbraw/zinc/41/97/34/1197419734.db2.gz OSNVTCQVZCTBDY-GOSISDBHSA-N 2 2 381.565 0.907 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC(CCO)CC2)CC1 ZINC000532959792 1197423951 /nfs/dbraw/zinc/42/39/51/1197423951.db2.gz CXAMEOAGVBKZFP-UHFFFAOYSA-N 2 2 387.488 0.106 20 0 GCADLP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC000533415999 1197450440 /nfs/dbraw/zinc/45/04/40/1197450440.db2.gz QVIWFIKOMOHRNQ-HOTGVXAUSA-N 2 2 382.549 0.839 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000066568161 1197467377 /nfs/dbraw/zinc/46/73/77/1197467377.db2.gz FQFAXXSGQWAUHQ-QGZVFWFLSA-N 2 2 382.549 0.794 20 0 GCADLP C[C@@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000074657095 1197472070 /nfs/dbraw/zinc/47/20/70/1197472070.db2.gz NQPYTKIIOFXEJZ-OALUTQOASA-N 2 2 381.565 0.766 20 0 GCADLP CCC[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212005655 1197472529 /nfs/dbraw/zinc/47/25/29/1197472529.db2.gz MALCPCRBWQWSGJ-AWEZNQCLSA-N 2 2 397.439 0.955 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000246733815 1197474388 /nfs/dbraw/zinc/47/43/88/1197474388.db2.gz OTYGDXSLTIXDFE-RDJZCZTQSA-N 2 2 399.499 0.513 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000246733815 1197474392 /nfs/dbraw/zinc/47/43/92/1197474392.db2.gz OTYGDXSLTIXDFE-RDJZCZTQSA-N 2 2 399.499 0.513 20 0 GCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000247320816 1197475619 /nfs/dbraw/zinc/47/56/19/1197475619.db2.gz GIWNEZJBQZLFKJ-QRVBRYPASA-N 2 2 376.501 0.499 20 0 GCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000247320816 1197475621 /nfs/dbraw/zinc/47/56/21/1197475621.db2.gz GIWNEZJBQZLFKJ-QRVBRYPASA-N 2 2 376.501 0.499 20 0 GCADLP C[NH+]1CCO[C@H](CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000247320816 1197475625 /nfs/dbraw/zinc/47/56/25/1197475625.db2.gz GIWNEZJBQZLFKJ-QRVBRYPASA-N 2 2 376.501 0.499 20 0 GCADLP C[NH+]1CCO[C@H](CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000247320816 1197475626 /nfs/dbraw/zinc/47/56/26/1197475626.db2.gz GIWNEZJBQZLFKJ-QRVBRYPASA-N 2 2 376.501 0.499 20 0 GCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000247304864 1197475637 /nfs/dbraw/zinc/47/56/37/1197475637.db2.gz UZYVJSHKAJNIIA-DOTOQJQBSA-N 2 2 386.562 0.621 20 0 GCADLP C[N@H+]1CCC[C@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000247304864 1197475639 /nfs/dbraw/zinc/47/56/39/1197475639.db2.gz UZYVJSHKAJNIIA-DOTOQJQBSA-N 2 2 386.562 0.621 20 0 GCADLP O=C(NCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[C@@H]1CCC[NH2+]1 ZINC000261768184 1197514210 /nfs/dbraw/zinc/51/42/10/1197514210.db2.gz PAHLDJMYDWPUMV-KRWDZBQOSA-N 2 2 385.468 0.980 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162421762 1197533427 /nfs/dbraw/zinc/53/34/27/1197533427.db2.gz MRMDGEXMXNMHAE-QAPCUYQASA-N 2 2 393.513 0.989 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162421762 1197533429 /nfs/dbraw/zinc/53/34/29/1197533429.db2.gz MRMDGEXMXNMHAE-QAPCUYQASA-N 2 2 393.513 0.989 20 0 GCADLP CO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C12CCC2 ZINC000459782473 1197587903 /nfs/dbraw/zinc/58/79/03/1197587903.db2.gz ZAEGNWWBAUIORD-JKSUJKDBSA-N 2 2 399.499 0.559 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000672008577 1199000484 /nfs/dbraw/zinc/00/04/84/1199000484.db2.gz KLDDFTFYUBNUPP-QAPCUYQASA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000672008577 1199000490 /nfs/dbraw/zinc/00/04/90/1199000490.db2.gz KLDDFTFYUBNUPP-QAPCUYQASA-N 2 2 380.533 0.402 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000656078831 1199091311 /nfs/dbraw/zinc/09/13/11/1199091311.db2.gz CJEMXVWHNLHAFC-INIZCTEOSA-N 2 2 382.549 0.623 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000656078831 1199091321 /nfs/dbraw/zinc/09/13/21/1199091321.db2.gz CJEMXVWHNLHAFC-INIZCTEOSA-N 2 2 382.549 0.623 20 0 GCADLP CN(C(=O)NCC(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109845428 1199110730 /nfs/dbraw/zinc/11/07/30/1199110730.db2.gz MECYHWIIYBCNOW-UHFFFAOYSA-N 2 2 379.427 0.429 20 0 GCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000465872244 1199143213 /nfs/dbraw/zinc/14/32/13/1199143213.db2.gz HZFHGWYZOCOQIM-KRWDZBQOSA-N 2 2 396.580 0.112 20 0 GCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000465872244 1199143217 /nfs/dbraw/zinc/14/32/17/1199143217.db2.gz HZFHGWYZOCOQIM-KRWDZBQOSA-N 2 2 396.580 0.112 20 0 GCADLP O=C1C[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)CN1CC[NH+]1CCOCC1 ZINC000172697919 1199144580 /nfs/dbraw/zinc/14/45/80/1199144580.db2.gz FKBRJIJDLKQHEU-LJQANCHMSA-N 2 2 388.512 0.546 20 0 GCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672164258 1199150504 /nfs/dbraw/zinc/15/05/04/1199150504.db2.gz YVGSQLVGEBHBMN-LJQANCHMSA-N 2 2 388.512 0.558 20 0 GCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672164258 1199150508 /nfs/dbraw/zinc/15/05/08/1199150508.db2.gz YVGSQLVGEBHBMN-LJQANCHMSA-N 2 2 388.512 0.558 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672305373 1199198175 /nfs/dbraw/zinc/19/81/75/1199198175.db2.gz MIANWHXWXPFHDT-MJGOQNOKSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672305373 1199198181 /nfs/dbraw/zinc/19/81/81/1199198181.db2.gz MIANWHXWXPFHDT-MJGOQNOKSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672305373 1199198187 /nfs/dbraw/zinc/19/81/87/1199198187.db2.gz MIANWHXWXPFHDT-MJGOQNOKSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672305373 1199198188 /nfs/dbraw/zinc/19/81/88/1199198188.db2.gz MIANWHXWXPFHDT-MJGOQNOKSA-N 3 2 391.560 0.214 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672310087 1199201157 /nfs/dbraw/zinc/20/11/57/1199201157.db2.gz GEDMXJAATHFFHW-SQNIBIBYSA-N 2 2 378.517 0.347 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672310087 1199201162 /nfs/dbraw/zinc/20/11/62/1199201162.db2.gz GEDMXJAATHFFHW-SQNIBIBYSA-N 2 2 378.517 0.347 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc2)CC1 ZINC000679071814 1199211979 /nfs/dbraw/zinc/21/19/79/1199211979.db2.gz WKJCIIFYMSQKTN-HNNXBMFYSA-N 2 2 389.500 0.356 20 0 GCADLP Cn1nc2c(cc1=O)C[N@@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000172795478 1199220392 /nfs/dbraw/zinc/22/03/92/1199220392.db2.gz GBWLUUIMOXTGTR-UHFFFAOYSA-N 2 2 382.468 0.272 20 0 GCADLP Cn1nc2c(cc1=O)C[N@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000172795478 1199220399 /nfs/dbraw/zinc/22/03/99/1199220399.db2.gz GBWLUUIMOXTGTR-UHFFFAOYSA-N 2 2 382.468 0.272 20 0 GCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1C ZINC000672524858 1199257583 /nfs/dbraw/zinc/25/75/83/1199257583.db2.gz NTLHHQQIWPLILI-KRWDZBQOSA-N 2 2 398.511 0.835 20 0 GCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C ZINC000672524858 1199257587 /nfs/dbraw/zinc/25/75/87/1199257587.db2.gz NTLHHQQIWPLILI-KRWDZBQOSA-N 2 2 398.511 0.835 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672598518 1199279267 /nfs/dbraw/zinc/27/92/67/1199279267.db2.gz ZYAIAGRNUVNRCS-SQNIBIBYSA-N 2 2 380.533 0.737 20 0 GCADLP CC(C)n1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672600890 1199280234 /nfs/dbraw/zinc/28/02/34/1199280234.db2.gz ZMMFUKSRJBDWTN-INIZCTEOSA-N 2 2 376.505 0.365 20 0 GCADLP CC(C)n1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672600890 1199280239 /nfs/dbraw/zinc/28/02/39/1199280239.db2.gz ZMMFUKSRJBDWTN-INIZCTEOSA-N 2 2 376.505 0.365 20 0 GCADLP CC(C)n1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672600891 1199280568 /nfs/dbraw/zinc/28/05/68/1199280568.db2.gz ZMMFUKSRJBDWTN-MRXNPFEDSA-N 2 2 376.505 0.365 20 0 GCADLP CC(C)n1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672600891 1199280570 /nfs/dbraw/zinc/28/05/70/1199280570.db2.gz ZMMFUKSRJBDWTN-MRXNPFEDSA-N 2 2 376.505 0.365 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)C2)CC1 ZINC000672637177 1199288393 /nfs/dbraw/zinc/28/83/93/1199288393.db2.gz AJGSAWKARFXYAT-QAPCUYQASA-N 2 2 390.484 0.464 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)C2)CC1 ZINC000672637177 1199288399 /nfs/dbraw/zinc/28/83/99/1199288399.db2.gz AJGSAWKARFXYAT-QAPCUYQASA-N 2 2 390.484 0.464 20 0 GCADLP COCC1(C)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638147 1199288781 /nfs/dbraw/zinc/28/87/81/1199288781.db2.gz MVRKHUPZTWRLAY-MRXNPFEDSA-N 2 2 380.533 0.546 20 0 GCADLP COCC1(C)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638147 1199288785 /nfs/dbraw/zinc/28/87/85/1199288785.db2.gz MVRKHUPZTWRLAY-MRXNPFEDSA-N 2 2 380.533 0.546 20 0 GCADLP Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638376 1199288811 /nfs/dbraw/zinc/28/88/11/1199288811.db2.gz GEXOUIYNORXPGG-CJNGLKHVSA-N 2 2 391.516 0.796 20 0 GCADLP Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638376 1199288815 /nfs/dbraw/zinc/28/88/15/1199288815.db2.gz GEXOUIYNORXPGG-CJNGLKHVSA-N 2 2 391.516 0.796 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)C2)CC1 ZINC000672637178 1199289369 /nfs/dbraw/zinc/28/93/69/1199289369.db2.gz AJGSAWKARFXYAT-YJBOKZPZSA-N 2 2 390.484 0.464 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)C2)CC1 ZINC000672637178 1199289373 /nfs/dbraw/zinc/28/93/73/1199289373.db2.gz AJGSAWKARFXYAT-YJBOKZPZSA-N 2 2 390.484 0.464 20 0 GCADLP COC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672639331 1199290404 /nfs/dbraw/zinc/29/04/04/1199290404.db2.gz KXWMLJJGMCISFN-HOCLYGCPSA-N 2 2 378.473 0.368 20 0 GCADLP COC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672639331 1199290410 /nfs/dbraw/zinc/29/04/10/1199290410.db2.gz KXWMLJJGMCISFN-HOCLYGCPSA-N 2 2 378.473 0.368 20 0 GCADLP C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672637751 1199290603 /nfs/dbraw/zinc/29/06/03/1199290603.db2.gz OBNFIPRCZLOVDU-HUUCEWRRSA-N 2 2 393.557 0.990 20 0 GCADLP C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672637751 1199290606 /nfs/dbraw/zinc/29/06/06/1199290606.db2.gz OBNFIPRCZLOVDU-HUUCEWRRSA-N 2 2 393.557 0.990 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639401 1199290970 /nfs/dbraw/zinc/29/09/70/1199290970.db2.gz BZTOXRNUJCDBCZ-DLBZAZTESA-N 3 2 379.549 0.262 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639401 1199290972 /nfs/dbraw/zinc/29/09/72/1199290972.db2.gz BZTOXRNUJCDBCZ-DLBZAZTESA-N 3 2 379.549 0.262 20 0 GCADLP COC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672639337 1199291861 /nfs/dbraw/zinc/29/18/61/1199291861.db2.gz KXWMLJJGMCISFN-ZBFHGGJFSA-N 2 2 378.473 0.368 20 0 GCADLP COC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672639337 1199291864 /nfs/dbraw/zinc/29/18/64/1199291864.db2.gz KXWMLJJGMCISFN-ZBFHGGJFSA-N 2 2 378.473 0.368 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC(C)(C)OC(C)(C)C3)C2)CC1 ZINC000672639446 1199291910 /nfs/dbraw/zinc/29/19/10/1199291910.db2.gz COWHNCGFHFPYAE-HNNXBMFYSA-N 2 2 380.533 0.687 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC(C)(C)OC(C)(C)C3)C2)CC1 ZINC000672639446 1199291914 /nfs/dbraw/zinc/29/19/14/1199291914.db2.gz COWHNCGFHFPYAE-HNNXBMFYSA-N 2 2 380.533 0.687 20 0 GCADLP COC1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638731 1199292883 /nfs/dbraw/zinc/29/28/83/1199292883.db2.gz VDYJOSVJBKTCLK-HFCFLWKCSA-N 2 2 394.560 0.983 20 0 GCADLP COC1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638731 1199292885 /nfs/dbraw/zinc/29/28/85/1199292885.db2.gz VDYJOSVJBKTCLK-HFCFLWKCSA-N 2 2 394.560 0.983 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C4CCOCC4)C3)C2)CC1 ZINC000672639965 1199295498 /nfs/dbraw/zinc/29/54/98/1199295498.db2.gz UXFQMKKHCDMUGM-ZWKOTPCHSA-N 2 2 392.544 0.546 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C4CCOCC4)C3)C2)CC1 ZINC000672639965 1199295501 /nfs/dbraw/zinc/29/55/01/1199295501.db2.gz UXFQMKKHCDMUGM-ZWKOTPCHSA-N 2 2 392.544 0.546 20 0 GCADLP Cc1csc([C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672640168 1199296382 /nfs/dbraw/zinc/29/63/82/1199296382.db2.gz IPTBEROSGHSKES-DZGCQCFKSA-N 2 2 393.557 0.956 20 0 GCADLP Cc1csc([C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672640168 1199296384 /nfs/dbraw/zinc/29/63/84/1199296384.db2.gz IPTBEROSGHSKES-DZGCQCFKSA-N 2 2 393.557 0.956 20 0 GCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639894 1199296389 /nfs/dbraw/zinc/29/63/89/1199296389.db2.gz OKABFGUZOOYNJD-SJLPKXTDSA-N 2 2 379.549 0.070 20 0 GCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639894 1199296391 /nfs/dbraw/zinc/29/63/91/1199296391.db2.gz OKABFGUZOOYNJD-SJLPKXTDSA-N 2 2 379.549 0.070 20 0 GCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640975 1199298362 /nfs/dbraw/zinc/29/83/62/1199298362.db2.gz HXJLNVHYIGFGFA-AEFFLSMTSA-N 3 2 395.592 0.754 20 0 GCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640975 1199298365 /nfs/dbraw/zinc/29/83/65/1199298365.db2.gz HXJLNVHYIGFGFA-AEFFLSMTSA-N 3 2 395.592 0.754 20 0 GCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640959 1199298480 /nfs/dbraw/zinc/29/84/80/1199298480.db2.gz HPQOGHXPGSIGNW-KRWDZBQOSA-N 3 2 379.549 0.215 20 0 GCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640959 1199298483 /nfs/dbraw/zinc/29/84/83/1199298483.db2.gz HPQOGHXPGSIGNW-KRWDZBQOSA-N 3 2 379.549 0.215 20 0 GCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640976 1199299009 /nfs/dbraw/zinc/29/90/09/1199299009.db2.gz HXJLNVHYIGFGFA-FUHWJXTLSA-N 3 2 395.592 0.754 20 0 GCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640976 1199299015 /nfs/dbraw/zinc/29/90/15/1199299015.db2.gz HXJLNVHYIGFGFA-FUHWJXTLSA-N 3 2 395.592 0.754 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000672641306 1199299167 /nfs/dbraw/zinc/29/91/67/1199299167.db2.gz OYUOYBQBLVUMGE-KRWDZBQOSA-N 3 2 391.560 0.262 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000672641306 1199299171 /nfs/dbraw/zinc/29/91/71/1199299171.db2.gz OYUOYBQBLVUMGE-KRWDZBQOSA-N 3 2 391.560 0.262 20 0 GCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640631 1199299323 /nfs/dbraw/zinc/29/93/23/1199299323.db2.gz DYUADZDRMYOXQB-AEFFLSMTSA-N 3 2 393.576 0.460 20 0 GCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640631 1199299330 /nfs/dbraw/zinc/29/93/30/1199299330.db2.gz DYUADZDRMYOXQB-AEFFLSMTSA-N 3 2 393.576 0.460 20 0 GCADLP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672640700 1199300306 /nfs/dbraw/zinc/30/03/06/1199300306.db2.gz GRCDVUBLHAPDOO-SFHVURJKSA-N 3 2 395.592 0.896 20 0 GCADLP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672640700 1199300310 /nfs/dbraw/zinc/30/03/10/1199300310.db2.gz GRCDVUBLHAPDOO-SFHVURJKSA-N 3 2 395.592 0.896 20 0 GCADLP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672640699 1199300408 /nfs/dbraw/zinc/30/04/08/1199300408.db2.gz GRCDVUBLHAPDOO-GOSISDBHSA-N 3 2 395.592 0.896 20 0 GCADLP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672640699 1199300415 /nfs/dbraw/zinc/30/04/15/1199300415.db2.gz GRCDVUBLHAPDOO-GOSISDBHSA-N 3 2 395.592 0.896 20 0 GCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642106 1199300504 /nfs/dbraw/zinc/30/05/04/1199300504.db2.gz XVNAIZMBVMSVTD-SFHVURJKSA-N 3 2 395.592 0.852 20 0 GCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642106 1199300511 /nfs/dbraw/zinc/30/05/11/1199300511.db2.gz XVNAIZMBVMSVTD-SFHVURJKSA-N 3 2 395.592 0.852 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642481 1199300751 /nfs/dbraw/zinc/30/07/51/1199300751.db2.gz BMQDISWDHHQYCN-IAGOWNOFSA-N 3 2 379.549 0.260 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642481 1199300755 /nfs/dbraw/zinc/30/07/55/1199300755.db2.gz BMQDISWDHHQYCN-IAGOWNOFSA-N 3 2 379.549 0.260 20 0 GCADLP C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642450 1199301153 /nfs/dbraw/zinc/30/11/53/1199301153.db2.gz BBRREEZXWCVDHE-CABCVRRESA-N 2 2 395.548 0.033 20 0 GCADLP C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642450 1199301155 /nfs/dbraw/zinc/30/11/55/1199301155.db2.gz BBRREEZXWCVDHE-CABCVRRESA-N 2 2 395.548 0.033 20 0 GCADLP CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672641827 1199302476 /nfs/dbraw/zinc/30/24/76/1199302476.db2.gz UNJODLCOZOFBLL-DKICVRJWSA-N 2 2 380.533 0.591 20 0 GCADLP CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672641827 1199302480 /nfs/dbraw/zinc/30/24/80/1199302480.db2.gz UNJODLCOZOFBLL-DKICVRJWSA-N 2 2 380.533 0.591 20 0 GCADLP CCO[C@@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642599 1199302644 /nfs/dbraw/zinc/30/26/44/1199302644.db2.gz OSQNZUVRFWRKCC-WMZOPIPTSA-N 2 2 382.549 0.839 20 0 GCADLP CCO[C@@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642599 1199302650 /nfs/dbraw/zinc/30/26/50/1199302650.db2.gz OSQNZUVRFWRKCC-WMZOPIPTSA-N 2 2 382.549 0.839 20 0 GCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641793 1199303141 /nfs/dbraw/zinc/30/31/41/1199303141.db2.gz XKQLQOFDQNIGIG-DLBZAZTESA-N 3 2 379.549 0.071 20 0 GCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641793 1199303146 /nfs/dbraw/zinc/30/31/46/1199303146.db2.gz XKQLQOFDQNIGIG-DLBZAZTESA-N 3 2 379.549 0.071 20 0 GCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641793 1199303150 /nfs/dbraw/zinc/30/31/50/1199303150.db2.gz XKQLQOFDQNIGIG-DLBZAZTESA-N 3 2 379.549 0.071 20 0 GCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641793 1199303156 /nfs/dbraw/zinc/30/31/56/1199303156.db2.gz XKQLQOFDQNIGIG-DLBZAZTESA-N 3 2 379.549 0.071 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642953 1199303281 /nfs/dbraw/zinc/30/32/81/1199303281.db2.gz YNFGHJIABVSBOJ-KZNAEPCWSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642953 1199303284 /nfs/dbraw/zinc/30/32/84/1199303284.db2.gz YNFGHJIABVSBOJ-KZNAEPCWSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642953 1199303288 /nfs/dbraw/zinc/30/32/88/1199303288.db2.gz YNFGHJIABVSBOJ-KZNAEPCWSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642953 1199303294 /nfs/dbraw/zinc/30/32/94/1199303294.db2.gz YNFGHJIABVSBOJ-KZNAEPCWSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)C2)CC1 ZINC000672643226 1199303711 /nfs/dbraw/zinc/30/37/11/1199303711.db2.gz VDMMGPMWTLHOCT-RKTXRCNFSA-N 2 2 378.517 0.201 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)C2)CC1 ZINC000672643226 1199303714 /nfs/dbraw/zinc/30/37/14/1199303714.db2.gz VDMMGPMWTLHOCT-RKTXRCNFSA-N 2 2 378.517 0.201 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672641855 1199304200 /nfs/dbraw/zinc/30/42/00/1199304200.db2.gz YLWKPCNGBDKDNJ-AEFFLSMTSA-N 2 2 379.549 0.070 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672641855 1199304204 /nfs/dbraw/zinc/30/42/04/1199304204.db2.gz YLWKPCNGBDKDNJ-AEFFLSMTSA-N 2 2 379.549 0.070 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)C2)CC1 ZINC000672643055 1199305458 /nfs/dbraw/zinc/30/54/58/1199305458.db2.gz NNXJXUCRXLBIOY-RYRKJORJSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)C2)CC1 ZINC000672643055 1199305461 /nfs/dbraw/zinc/30/54/61/1199305461.db2.gz NNXJXUCRXLBIOY-RYRKJORJSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)C2)CC1 ZINC000672643057 1199305562 /nfs/dbraw/zinc/30/55/62/1199305562.db2.gz NNXJXUCRXLBIOY-XYJFISCASA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)C2)CC1 ZINC000672643057 1199305566 /nfs/dbraw/zinc/30/55/66/1199305566.db2.gz NNXJXUCRXLBIOY-XYJFISCASA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC([C@H]4CCCO4)CC3)C2)CC1 ZINC000672643029 1199306071 /nfs/dbraw/zinc/30/60/71/1199306071.db2.gz NBLKSXJJXVIYQD-PKOBYXMFSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC([C@H]4CCCO4)CC3)C2)CC1 ZINC000672643029 1199306077 /nfs/dbraw/zinc/30/60/77/1199306077.db2.gz NBLKSXJJXVIYQD-PKOBYXMFSA-N 2 2 392.544 0.689 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643005 1199306453 /nfs/dbraw/zinc/30/64/53/1199306453.db2.gz MLHWMPUOEILGLU-OAGGEKHMSA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643005 1199306459 /nfs/dbraw/zinc/30/64/59/1199306459.db2.gz MLHWMPUOEILGLU-OAGGEKHMSA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000672643005 1199306464 /nfs/dbraw/zinc/30/64/64/1199306464.db2.gz MLHWMPUOEILGLU-OAGGEKHMSA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000672643005 1199306470 /nfs/dbraw/zinc/30/64/70/1199306470.db2.gz MLHWMPUOEILGLU-OAGGEKHMSA-N 3 2 377.533 0.013 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672677226 1199314851 /nfs/dbraw/zinc/31/48/51/1199314851.db2.gz OXVBDDXHUIMPRN-DOTOQJQBSA-N 2 2 388.516 0.010 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672677226 1199314854 /nfs/dbraw/zinc/31/48/54/1199314854.db2.gz OXVBDDXHUIMPRN-DOTOQJQBSA-N 2 2 388.516 0.010 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672692646 1199317422 /nfs/dbraw/zinc/31/74/22/1199317422.db2.gz HIHOPNDJQWGLLR-IEBWSBKVSA-N 3 2 393.576 0.604 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672692646 1199317426 /nfs/dbraw/zinc/31/74/26/1199317426.db2.gz HIHOPNDJQWGLLR-IEBWSBKVSA-N 3 2 393.576 0.604 20 0 GCADLP CN(C)c1nc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000672807925 1199339117 /nfs/dbraw/zinc/33/91/17/1199339117.db2.gz AURXPUNQTYCPLS-UHFFFAOYSA-N 2 2 396.561 0.310 20 0 GCADLP CN(C)c1nc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000672807925 1199339124 /nfs/dbraw/zinc/33/91/24/1199339124.db2.gz AURXPUNQTYCPLS-UHFFFAOYSA-N 2 2 396.561 0.310 20 0 GCADLP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1(C)C ZINC000672854548 1199352572 /nfs/dbraw/zinc/35/25/72/1199352572.db2.gz QISANEJBKMUVIZ-GOSISDBHSA-N 2 2 387.528 0.432 20 0 GCADLP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1(C)C ZINC000672854548 1199352574 /nfs/dbraw/zinc/35/25/74/1199352574.db2.gz QISANEJBKMUVIZ-GOSISDBHSA-N 2 2 387.528 0.432 20 0 GCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000672854548 1199352584 /nfs/dbraw/zinc/35/25/84/1199352584.db2.gz QISANEJBKMUVIZ-GOSISDBHSA-N 2 2 387.528 0.432 20 0 GCADLP COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672966794 1199380145 /nfs/dbraw/zinc/38/01/45/1199380145.db2.gz AREGDSCQDICKQD-MRXNPFEDSA-N 2 2 375.473 0.656 20 0 GCADLP COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672966794 1199380154 /nfs/dbraw/zinc/38/01/54/1199380154.db2.gz AREGDSCQDICKQD-MRXNPFEDSA-N 2 2 375.473 0.656 20 0 GCADLP CC(C)OCCC[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000265819641 1199437793 /nfs/dbraw/zinc/43/77/93/1199437793.db2.gz ARNCUMDFKCTWHO-UHFFFAOYSA-N 2 2 389.504 0.759 20 0 GCADLP CC(C)OCCC[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000265819641 1199437795 /nfs/dbraw/zinc/43/77/95/1199437795.db2.gz ARNCUMDFKCTWHO-UHFFFAOYSA-N 2 2 389.504 0.759 20 0 GCADLP C[C@@H](CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000066986390 1199473933 /nfs/dbraw/zinc/47/39/33/1199473933.db2.gz ZSDJYFHDMBXYDW-INIZCTEOSA-N 2 2 376.505 0.353 20 0 GCADLP CC(C)(CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000673274929 1199512095 /nfs/dbraw/zinc/51/20/95/1199512095.db2.gz GRFSBKKTKHZRCM-KRWDZBQOSA-N 2 2 380.533 0.548 20 0 GCADLP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673284138 1199514989 /nfs/dbraw/zinc/51/49/89/1199514989.db2.gz WTUPVOURTRWIOE-IBGZPJMESA-N 2 2 388.512 0.595 20 0 GCADLP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673284138 1199514994 /nfs/dbraw/zinc/51/49/94/1199514994.db2.gz WTUPVOURTRWIOE-IBGZPJMESA-N 2 2 388.512 0.595 20 0 GCADLP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284138 1199514997 /nfs/dbraw/zinc/51/49/97/1199514997.db2.gz WTUPVOURTRWIOE-IBGZPJMESA-N 2 2 388.512 0.595 20 0 GCADLP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284138 1199515001 /nfs/dbraw/zinc/51/50/01/1199515001.db2.gz WTUPVOURTRWIOE-IBGZPJMESA-N 2 2 388.512 0.595 20 0 GCADLP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673284139 1199515458 /nfs/dbraw/zinc/51/54/58/1199515458.db2.gz WTUPVOURTRWIOE-LJQANCHMSA-N 2 2 388.512 0.595 20 0 GCADLP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673284139 1199515464 /nfs/dbraw/zinc/51/54/64/1199515464.db2.gz WTUPVOURTRWIOE-LJQANCHMSA-N 2 2 388.512 0.595 20 0 GCADLP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284139 1199515471 /nfs/dbraw/zinc/51/54/71/1199515471.db2.gz WTUPVOURTRWIOE-LJQANCHMSA-N 2 2 388.512 0.595 20 0 GCADLP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284139 1199515478 /nfs/dbraw/zinc/51/54/78/1199515478.db2.gz WTUPVOURTRWIOE-LJQANCHMSA-N 2 2 388.512 0.595 20 0 GCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000673287441 1199518083 /nfs/dbraw/zinc/51/80/83/1199518083.db2.gz YTBFVEMIPOAQLE-QAPCUYQASA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000673287441 1199518087 /nfs/dbraw/zinc/51/80/87/1199518087.db2.gz YTBFVEMIPOAQLE-QAPCUYQASA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287441 1199518090 /nfs/dbraw/zinc/51/80/90/1199518090.db2.gz YTBFVEMIPOAQLE-QAPCUYQASA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287441 1199518096 /nfs/dbraw/zinc/51/80/96/1199518096.db2.gz YTBFVEMIPOAQLE-QAPCUYQASA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000673285861 1199520275 /nfs/dbraw/zinc/52/02/75/1199520275.db2.gz QMWPTAUFXBEBPG-JTDSTZFVSA-N 2 2 388.512 0.905 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000673285861 1199520278 /nfs/dbraw/zinc/52/02/78/1199520278.db2.gz QMWPTAUFXBEBPG-JTDSTZFVSA-N 2 2 388.512 0.905 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000673285861 1199520283 /nfs/dbraw/zinc/52/02/83/1199520283.db2.gz QMWPTAUFXBEBPG-JTDSTZFVSA-N 2 2 388.512 0.905 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000673285861 1199520287 /nfs/dbraw/zinc/52/02/87/1199520287.db2.gz QMWPTAUFXBEBPG-JTDSTZFVSA-N 2 2 388.512 0.905 20 0 GCADLP C[C@H](CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000673307572 1199528906 /nfs/dbraw/zinc/52/89/06/1199528906.db2.gz GXOLXJMIHXNIQY-QZTJIDSGSA-N 2 2 380.533 0.690 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673326295 1199540707 /nfs/dbraw/zinc/54/07/07/1199540707.db2.gz VGNQEMUYZAHVHY-DKKFBQAASA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673326295 1199540710 /nfs/dbraw/zinc/54/07/10/1199540710.db2.gz VGNQEMUYZAHVHY-DKKFBQAASA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000673326295 1199540714 /nfs/dbraw/zinc/54/07/14/1199540714.db2.gz VGNQEMUYZAHVHY-DKKFBQAASA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673326295 1199540718 /nfs/dbraw/zinc/54/07/18/1199540718.db2.gz VGNQEMUYZAHVHY-DKKFBQAASA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1C[NH+](C)CCO1 ZINC000673349146 1199569718 /nfs/dbraw/zinc/56/97/18/1199569718.db2.gz SUNCWGMVIWGBIW-WMLDXEAASA-N 2 2 380.464 0.209 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1C[NH+](C)CCO1 ZINC000673349146 1199569723 /nfs/dbraw/zinc/56/97/23/1199569723.db2.gz SUNCWGMVIWGBIW-WMLDXEAASA-N 2 2 380.464 0.209 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000673349146 1199569729 /nfs/dbraw/zinc/56/97/29/1199569729.db2.gz SUNCWGMVIWGBIW-WMLDXEAASA-N 2 2 380.464 0.209 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000673349146 1199569735 /nfs/dbraw/zinc/56/97/35/1199569735.db2.gz SUNCWGMVIWGBIW-WMLDXEAASA-N 2 2 380.464 0.209 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001003663750 1199619573 /nfs/dbraw/zinc/61/95/73/1199619573.db2.gz WITDVTUDAAOGSP-AHCXZYCDSA-N 2 2 382.468 0.899 20 0 GCADLP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673434498 1199644137 /nfs/dbraw/zinc/64/41/37/1199644137.db2.gz NRFMZNFNXOPZQB-ZIFCJYIRSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673434498 1199644142 /nfs/dbraw/zinc/64/41/42/1199644142.db2.gz NRFMZNFNXOPZQB-ZIFCJYIRSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001003748961 1199651287 /nfs/dbraw/zinc/65/12/87/1199651287.db2.gz JLWMWKBAHMBMOU-HZMVEIRTSA-N 2 2 375.473 0.100 20 0 GCADLP C[NH+]1CCC(OCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)CC1 ZINC001003745993 1199653471 /nfs/dbraw/zinc/65/34/71/1199653471.db2.gz QRIMUCRHFQSIIE-OIISXLGYSA-N 2 2 375.473 0.242 20 0 GCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673531644 1199735116 /nfs/dbraw/zinc/73/51/16/1199735116.db2.gz ORXDVJJTCOBSQS-QGZVFWFLSA-N 2 2 389.500 0.083 20 0 GCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)O1 ZINC000330266821 1199855177 /nfs/dbraw/zinc/85/51/77/1199855177.db2.gz AHMIWDAZIUWHSM-XFZGEKFBSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)O1 ZINC000330266821 1199855179 /nfs/dbraw/zinc/85/51/79/1199855179.db2.gz AHMIWDAZIUWHSM-XFZGEKFBSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)O1 ZINC000330266821 1199855182 /nfs/dbraw/zinc/85/51/82/1199855182.db2.gz AHMIWDAZIUWHSM-XFZGEKFBSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)O1 ZINC000330266821 1199855183 /nfs/dbraw/zinc/85/51/83/1199855183.db2.gz AHMIWDAZIUWHSM-XFZGEKFBSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@H](C)[N@@H+](C)C[C@@H]3C)O2)[C@@H](C)C[NH+]1C ZINC000330303621 1199855971 /nfs/dbraw/zinc/85/59/71/1199855971.db2.gz JYTKDZLMXKIFHX-MULDDASSSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@H](C)[N@H+](C)C[C@@H]3C)O2)[C@@H](C)C[NH+]1C ZINC000330303621 1199855975 /nfs/dbraw/zinc/85/59/75/1199855975.db2.gz JYTKDZLMXKIFHX-MULDDASSSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)O2)[C@@H](C)C[N@H+]1C ZINC000330303621 1199855977 /nfs/dbraw/zinc/85/59/77/1199855977.db2.gz JYTKDZLMXKIFHX-MULDDASSSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)O2)[C@@H](C)C[N@@H+]1C ZINC000330303621 1199855979 /nfs/dbraw/zinc/85/59/79/1199855979.db2.gz JYTKDZLMXKIFHX-MULDDASSSA-N 2 2 380.533 0.636 20 0 GCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000155937498 1199878365 /nfs/dbraw/zinc/87/83/65/1199878365.db2.gz HWQONWXSPWDUAM-SFHVURJKSA-N 2 2 389.548 0.970 20 0 GCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000155937498 1199878366 /nfs/dbraw/zinc/87/83/66/1199878366.db2.gz HWQONWXSPWDUAM-SFHVURJKSA-N 2 2 389.548 0.970 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668757 1199926017 /nfs/dbraw/zinc/92/60/17/1199926017.db2.gz IWJOLZLDXFKVQK-SIKLNZKXSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668757 1199926018 /nfs/dbraw/zinc/92/60/18/1199926018.db2.gz IWJOLZLDXFKVQK-SIKLNZKXSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668757 1199926020 /nfs/dbraw/zinc/92/60/20/1199926020.db2.gz IWJOLZLDXFKVQK-SIKLNZKXSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668757 1199926021 /nfs/dbraw/zinc/92/60/21/1199926021.db2.gz IWJOLZLDXFKVQK-SIKLNZKXSA-N 3 2 386.540 0.908 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673872070 1199963659 /nfs/dbraw/zinc/96/36/59/1199963659.db2.gz IHKJDSXNXSMZTF-MSOLQXFVSA-N 2 2 392.504 0.278 20 0 GCADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000282461597 1199969067 /nfs/dbraw/zinc/96/90/67/1199969067.db2.gz JWTZPMCKFUBAJC-MRXNPFEDSA-N 2 2 387.484 0.590 20 0 GCADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000282461597 1199969068 /nfs/dbraw/zinc/96/90/68/1199969068.db2.gz JWTZPMCKFUBAJC-MRXNPFEDSA-N 2 2 387.484 0.590 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000657968272 1200049838 /nfs/dbraw/zinc/04/98/38/1200049838.db2.gz YKIIPSOLFPNWOR-LJQANCHMSA-N 2 2 388.512 0.510 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000657968272 1200049841 /nfs/dbraw/zinc/04/98/41/1200049841.db2.gz YKIIPSOLFPNWOR-LJQANCHMSA-N 2 2 388.512 0.510 20 0 GCADLP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000946818554 1200173864 /nfs/dbraw/zinc/17/38/64/1200173864.db2.gz HDPZMOFIUIUSOI-YFHUEUNASA-N 2 2 389.500 0.207 20 0 GCADLP COC1CC[NH+](CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000674328564 1200222178 /nfs/dbraw/zinc/22/21/78/1200222178.db2.gz OLORXBRMVCFQBV-SFHVURJKSA-N 2 2 386.562 0.604 20 0 GCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)C1 ZINC001005336902 1200254254 /nfs/dbraw/zinc/25/42/54/1200254254.db2.gz DGRRQFBPKSCIGM-WCXIOVBPSA-N 2 2 375.473 0.240 20 0 GCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)C1 ZINC001005336902 1200254261 /nfs/dbraw/zinc/25/42/61/1200254261.db2.gz DGRRQFBPKSCIGM-WCXIOVBPSA-N 2 2 375.473 0.240 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005492408 1200309047 /nfs/dbraw/zinc/30/90/47/1200309047.db2.gz NEFNQUDTRDPJBA-ZJPYXAASSA-N 2 2 378.517 0.297 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005492408 1200309061 /nfs/dbraw/zinc/30/90/61/1200309061.db2.gz NEFNQUDTRDPJBA-ZJPYXAASSA-N 2 2 378.517 0.297 20 0 GCADLP COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000675102231 1200352758 /nfs/dbraw/zinc/35/27/58/1200352758.db2.gz SHRPFJQWEDSIJZ-GJZGRUSLSA-N 2 2 391.520 0.207 20 0 GCADLP COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000675102231 1200352765 /nfs/dbraw/zinc/35/27/65/1200352765.db2.gz SHRPFJQWEDSIJZ-GJZGRUSLSA-N 2 2 391.520 0.207 20 0 GCADLP COc1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670493795 1200356945 /nfs/dbraw/zinc/35/69/45/1200356945.db2.gz BVGYRLVGKMWZEL-GOSISDBHSA-N 2 2 388.512 0.938 20 0 GCADLP COc1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670493795 1200356952 /nfs/dbraw/zinc/35/69/52/1200356952.db2.gz BVGYRLVGKMWZEL-GOSISDBHSA-N 2 2 388.512 0.938 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000675620804 1200444858 /nfs/dbraw/zinc/44/48/58/1200444858.db2.gz MQBGBEPTCKDFTA-INIZCTEOSA-N 2 2 385.534 0.696 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000675620804 1200444862 /nfs/dbraw/zinc/44/48/62/1200444862.db2.gz MQBGBEPTCKDFTA-INIZCTEOSA-N 2 2 385.534 0.696 20 0 GCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000675715337 1200455020 /nfs/dbraw/zinc/45/50/20/1200455020.db2.gz ZRZSZIODKCSPPM-FCGDIQPGSA-N 2 2 380.533 0.870 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675819020 1200461280 /nfs/dbraw/zinc/46/12/80/1200461280.db2.gz JTIIZTGFFLXPAI-HKUYNNGSSA-N 2 2 395.573 0.459 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675819020 1200461289 /nfs/dbraw/zinc/46/12/89/1200461289.db2.gz JTIIZTGFFLXPAI-HKUYNNGSSA-N 2 2 395.573 0.459 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675819021 1200461688 /nfs/dbraw/zinc/46/16/88/1200461688.db2.gz JTIIZTGFFLXPAI-IEBWSBKVSA-N 2 2 395.573 0.459 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675819021 1200461692 /nfs/dbraw/zinc/46/16/92/1200461692.db2.gz JTIIZTGFFLXPAI-IEBWSBKVSA-N 2 2 395.573 0.459 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000676047696 1200480322 /nfs/dbraw/zinc/48/03/22/1200480322.db2.gz UDSDKTCVXOANMZ-SXLOBPIMSA-N 3 2 393.576 0.832 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000676047696 1200480332 /nfs/dbraw/zinc/48/03/32/1200480332.db2.gz UDSDKTCVXOANMZ-SXLOBPIMSA-N 3 2 393.576 0.832 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676043894 1200480470 /nfs/dbraw/zinc/48/04/70/1200480470.db2.gz YGNLFILZPMWLHP-RRQGHBQHSA-N 2 2 396.919 0.894 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676043894 1200480473 /nfs/dbraw/zinc/48/04/73/1200480473.db2.gz YGNLFILZPMWLHP-RRQGHBQHSA-N 2 2 396.919 0.894 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[C@@H]1C[NH+](C)CCO1 ZINC000676241426 1200512894 /nfs/dbraw/zinc/51/28/94/1200512894.db2.gz PLCOHJAIYLNSKV-QGTPRVQTSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)[C@@H]1C[NH+](C)CCO1 ZINC000676241426 1200512898 /nfs/dbraw/zinc/51/28/98/1200512898.db2.gz PLCOHJAIYLNSKV-QGTPRVQTSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241426 1200512906 /nfs/dbraw/zinc/51/29/06/1200512906.db2.gz PLCOHJAIYLNSKV-QGTPRVQTSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241426 1200512908 /nfs/dbraw/zinc/51/29/08/1200512908.db2.gz PLCOHJAIYLNSKV-QGTPRVQTSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246593 1200515002 /nfs/dbraw/zinc/51/50/02/1200515002.db2.gz XBBQWPMIRKILGO-IHPCNDPISA-N 2 2 389.544 0.993 20 0 GCADLP C[C@H](NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246593 1200515007 /nfs/dbraw/zinc/51/50/07/1200515007.db2.gz XBBQWPMIRKILGO-IHPCNDPISA-N 2 2 389.544 0.993 20 0 GCADLP Cc1c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676587932 1200573891 /nfs/dbraw/zinc/57/38/91/1200573891.db2.gz JOBBMPJTSCMKQB-KRWDZBQOSA-N 2 2 395.511 0.293 20 0 GCADLP Cc1c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000676587932 1200573893 /nfs/dbraw/zinc/57/38/93/1200573893.db2.gz JOBBMPJTSCMKQB-KRWDZBQOSA-N 2 2 395.511 0.293 20 0 GCADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(S(N)(=O)=O)cc3)[nH+]c2)C1 ZINC000638789861 1200650386 /nfs/dbraw/zinc/65/03/86/1200650386.db2.gz GRFAYMKPZVCHMF-INIZCTEOSA-N 2 2 375.498 1.481 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1c1ccccc1 ZINC000580409456 1200742198 /nfs/dbraw/zinc/74/21/98/1200742198.db2.gz RVRZWDHKCNXMFU-ZWKOTPCHSA-N 2 2 384.484 1.174 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329297496 1200877881 /nfs/dbraw/zinc/87/78/81/1200877881.db2.gz PBFDCTNVBIVACD-QGZVFWFLSA-N 2 2 376.505 1.165 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000509386551 1200977669 /nfs/dbraw/zinc/97/76/69/1200977669.db2.gz LUBHAFPYWHIJNN-UHFFFAOYSA-N 2 2 383.537 0.293 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518741 1201062962 /nfs/dbraw/zinc/06/29/62/1201062962.db2.gz ICZXYFGCGHHLGQ-VNHYZAJKSA-N 2 2 378.498 0.153 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518741 1201062971 /nfs/dbraw/zinc/06/29/71/1201062971.db2.gz ICZXYFGCGHHLGQ-VNHYZAJKSA-N 2 2 378.498 0.153 20 0 GCADLP CC(C)Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590138 1201338462 /nfs/dbraw/zinc/33/84/62/1201338462.db2.gz FIMICDLIJWKVQF-KLHDSHLOSA-N 2 2 379.505 0.924 20 0 GCADLP CC(C)Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590138 1201338468 /nfs/dbraw/zinc/33/84/68/1201338468.db2.gz FIMICDLIJWKVQF-KLHDSHLOSA-N 2 2 379.505 0.924 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(-c2ccco2)o1 ZINC001082590207 1201338659 /nfs/dbraw/zinc/33/86/59/1201338659.db2.gz JMTPJUGJDAGEMS-IXYNUQLISA-N 2 2 389.456 0.985 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(-c2ccco2)o1 ZINC001082590207 1201338666 /nfs/dbraw/zinc/33/86/66/1201338666.db2.gz JMTPJUGJDAGEMS-IXYNUQLISA-N 2 2 389.456 0.985 20 0 GCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1C ZINC001082590108 1201339367 /nfs/dbraw/zinc/33/93/67/1201339367.db2.gz CIXVZCQMLFHTNA-KLHDSHLOSA-N 2 2 378.521 0.594 20 0 GCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1C ZINC001082590108 1201339372 /nfs/dbraw/zinc/33/93/72/1201339372.db2.gz CIXVZCQMLFHTNA-KLHDSHLOSA-N 2 2 378.521 0.594 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1noc2c1COCC2 ZINC001082590311 1201340359 /nfs/dbraw/zinc/34/03/59/1201340359.db2.gz OPYADDJXLDMKGW-ZHCAMHROSA-N 2 2 378.473 0.403 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1noc2c1COCC2 ZINC001082590311 1201340363 /nfs/dbraw/zinc/34/03/63/1201340363.db2.gz OPYADDJXLDMKGW-ZHCAMHROSA-N 2 2 378.473 0.403 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC001083151305 1201392768 /nfs/dbraw/zinc/39/27/68/1201392768.db2.gz STOOERKLDVCLCW-VSZNYVQBSA-N 2 2 385.480 0.137 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC001083151305 1201392776 /nfs/dbraw/zinc/39/27/76/1201392776.db2.gz STOOERKLDVCLCW-VSZNYVQBSA-N 2 2 385.480 0.137 20 0 GCADLP CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@H]2C1 ZINC001083151129 1201392957 /nfs/dbraw/zinc/39/29/57/1201392957.db2.gz KIDCBLODIINKIE-YDZRNGNQSA-N 2 2 381.517 0.578 20 0 GCADLP CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@H]2C1 ZINC001083151129 1201392962 /nfs/dbraw/zinc/39/29/62/1201392962.db2.gz KIDCBLODIINKIE-YDZRNGNQSA-N 2 2 381.517 0.578 20 0 GCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084352082 1201410402 /nfs/dbraw/zinc/41/04/02/1201410402.db2.gz PRDLWFGUFCDNAV-MTNOOBJLSA-N 2 2 378.517 0.012 20 0 GCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084352082 1201410403 /nfs/dbraw/zinc/41/04/03/1201410403.db2.gz PRDLWFGUFCDNAV-MTNOOBJLSA-N 2 2 378.517 0.012 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000731680980 1201494491 /nfs/dbraw/zinc/49/44/91/1201494491.db2.gz CBOQUTNSLFIRKC-UHFFFAOYSA-N 2 2 386.562 0.669 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)Nc4ccon4)[C@H]3C2)CC[N@@H+]1C ZINC001084943604 1201502488 /nfs/dbraw/zinc/50/24/88/1201502488.db2.gz NJDMHRBIQQYYQZ-FPCVCCKLSA-N 2 2 375.473 0.876 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)Nc4ccon4)[C@H]3C2)CC[N@H+]1C ZINC001084943604 1201502494 /nfs/dbraw/zinc/50/24/94/1201502494.db2.gz NJDMHRBIQQYYQZ-FPCVCCKLSA-N 2 2 375.473 0.876 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)Nc4ccon4)[C@H]3C2)CC[NH+]1C ZINC001084943604 1201502501 /nfs/dbraw/zinc/50/25/01/1201502501.db2.gz NJDMHRBIQQYYQZ-FPCVCCKLSA-N 2 2 375.473 0.876 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)Nc4ccon4)[C@H]3C2)CC[NH+]1C ZINC001084943604 1201502505 /nfs/dbraw/zinc/50/25/05/1201502505.db2.gz NJDMHRBIQQYYQZ-FPCVCCKLSA-N 2 2 375.473 0.876 20 0 GCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@@H]32)n1 ZINC001084944013 1201502971 /nfs/dbraw/zinc/50/29/71/1201502971.db2.gz NBPLUXAZMXEMMK-FPCVCCKLSA-N 2 2 377.489 0.979 20 0 GCADLP COCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@@H]32)n1 ZINC001084944013 1201502972 /nfs/dbraw/zinc/50/29/72/1201502972.db2.gz NBPLUXAZMXEMMK-FPCVCCKLSA-N 2 2 377.489 0.979 20 0 GCADLP COCc1noc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]32)n1 ZINC001084944013 1201502976 /nfs/dbraw/zinc/50/29/76/1201502976.db2.gz NBPLUXAZMXEMMK-FPCVCCKLSA-N 2 2 377.489 0.979 20 0 GCADLP COCc1noc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]32)n1 ZINC001084944013 1201502977 /nfs/dbraw/zinc/50/29/77/1201502977.db2.gz NBPLUXAZMXEMMK-FPCVCCKLSA-N 2 2 377.489 0.979 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000732819941 1201562835 /nfs/dbraw/zinc/56/28/35/1201562835.db2.gz VHDXJDBRKRYBPG-AWEZNQCLSA-N 2 2 381.502 0.624 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000732819941 1201562838 /nfs/dbraw/zinc/56/28/38/1201562838.db2.gz VHDXJDBRKRYBPG-AWEZNQCLSA-N 2 2 381.502 0.624 20 0 GCADLP C[NH+](C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065709298 1201631395 /nfs/dbraw/zinc/63/13/95/1201631395.db2.gz SESZCJASLUQGMW-SGTQZHETSA-N 2 2 390.528 0.107 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(-n4cncn4)nc3)C2)CC1 ZINC000734264955 1201647800 /nfs/dbraw/zinc/64/78/00/1201647800.db2.gz IDEXVZNHXZFGQH-MRXNPFEDSA-N 2 2 384.488 0.630 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(-n4cncn4)nc3)C2)CC1 ZINC000734264955 1201647804 /nfs/dbraw/zinc/64/78/04/1201647804.db2.gz IDEXVZNHXZFGQH-MRXNPFEDSA-N 2 2 384.488 0.630 20 0 GCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000827676412 1201706765 /nfs/dbraw/zinc/70/67/65/1201706765.db2.gz GZVZZAJODUJCGD-IBGZPJMESA-N 2 2 375.469 0.188 20 0 GCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000827676412 1201706769 /nfs/dbraw/zinc/70/67/69/1201706769.db2.gz GZVZZAJODUJCGD-IBGZPJMESA-N 2 2 375.469 0.188 20 0 GCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000827676412 1201706770 /nfs/dbraw/zinc/70/67/70/1201706770.db2.gz GZVZZAJODUJCGD-IBGZPJMESA-N 2 2 375.469 0.188 20 0 GCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000827676412 1201706774 /nfs/dbraw/zinc/70/67/74/1201706774.db2.gz GZVZZAJODUJCGD-IBGZPJMESA-N 2 2 375.469 0.188 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000741408118 1201778233 /nfs/dbraw/zinc/77/82/33/1201778233.db2.gz OPWCSMWJAWPHIE-YLJYHZDGSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000741408118 1201778240 /nfs/dbraw/zinc/77/82/40/1201778240.db2.gz OPWCSMWJAWPHIE-YLJYHZDGSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000741408118 1201778246 /nfs/dbraw/zinc/77/82/46/1201778246.db2.gz OPWCSMWJAWPHIE-YLJYHZDGSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000741408118 1201778253 /nfs/dbraw/zinc/77/82/53/1201778253.db2.gz OPWCSMWJAWPHIE-YLJYHZDGSA-N 2 2 376.501 0.643 20 0 GCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)CC[NH+]3CCOCC3)cc2)CC1 ZINC000742898063 1201810420 /nfs/dbraw/zinc/81/04/20/1201810420.db2.gz SICOYWOLBKWCBB-UHFFFAOYSA-N 2 2 376.501 0.974 20 0 GCADLP COC(=O)CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000743871664 1201824856 /nfs/dbraw/zinc/82/48/56/1201824856.db2.gz QPKMTMLMPPVOIO-UHFFFAOYSA-N 2 2 385.505 0.258 20 0 GCADLP COC(=O)CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000743871664 1201824858 /nfs/dbraw/zinc/82/48/58/1201824858.db2.gz QPKMTMLMPPVOIO-UHFFFAOYSA-N 2 2 385.505 0.258 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000746417224 1201919028 /nfs/dbraw/zinc/91/90/28/1201919028.db2.gz DVOODEDVRRGHNJ-MRXNPFEDSA-N 2 2 386.562 0.623 20 0 GCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000749298363 1201919733 /nfs/dbraw/zinc/91/97/33/1201919733.db2.gz PKMVWQRWXXCQMW-LJQANCHMSA-N 2 2 390.528 0.499 20 0 GCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(Br)cnc1N1CCOCC1 ZINC001169073227 1201931883 /nfs/dbraw/zinc/93/18/83/1201931883.db2.gz DPNWIDQCGWKAHU-GFCCVEGCSA-N 2 2 382.262 0.729 20 0 GCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001169136709 1201933116 /nfs/dbraw/zinc/93/31/16/1201933116.db2.gz PQFHWCXYCLDHCQ-ZBFHGGJFSA-N 2 2 382.486 0.032 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CC1 ZINC001169253276 1201941215 /nfs/dbraw/zinc/94/12/15/1201941215.db2.gz AUOVVCYWXFPFNK-FQEVSTJZSA-N 2 2 388.516 0.544 20 0 GCADLP CC[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CC1 ZINC001169253276 1201941218 /nfs/dbraw/zinc/94/12/18/1201941218.db2.gz AUOVVCYWXFPFNK-FQEVSTJZSA-N 2 2 388.516 0.544 20 0 GCADLP C[NH+](C)Cc1c[nH]c2nccc(NCC[NH+]3CCN(S(C)(=O)=O)CC3)c12 ZINC001169343224 1201943824 /nfs/dbraw/zinc/94/38/24/1201943824.db2.gz DKJCNWSPRKVDPE-UHFFFAOYSA-N 2 2 380.518 0.614 20 0 GCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289243 1202013841 /nfs/dbraw/zinc/01/38/41/1202013841.db2.gz HILXQDXFSHDTKI-XGUBFFRZSA-N 2 2 379.505 0.556 20 0 GCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289243 1202013844 /nfs/dbraw/zinc/01/38/44/1202013844.db2.gz HILXQDXFSHDTKI-XGUBFFRZSA-N 2 2 379.505 0.556 20 0 GCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109307880 1202016663 /nfs/dbraw/zinc/01/66/63/1202016663.db2.gz GDBPWEPRIHNRFF-MQYQWHSLSA-N 2 2 376.461 0.313 20 0 GCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109307880 1202016664 /nfs/dbraw/zinc/01/66/64/1202016664.db2.gz GDBPWEPRIHNRFF-MQYQWHSLSA-N 2 2 376.461 0.313 20 0 GCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109305406 1202018435 /nfs/dbraw/zinc/01/84/35/1202018435.db2.gz HSMIFAHGDJDQLD-CWVYHPPDSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109305406 1202018439 /nfs/dbraw/zinc/01/84/39/1202018439.db2.gz HSMIFAHGDJDQLD-CWVYHPPDSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001109305406 1202018440 /nfs/dbraw/zinc/01/84/40/1202018440.db2.gz HSMIFAHGDJDQLD-CWVYHPPDSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109305406 1202018444 /nfs/dbraw/zinc/01/84/44/1202018444.db2.gz HSMIFAHGDJDQLD-CWVYHPPDSA-N 2 2 379.505 0.284 20 0 GCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399789 1202037849 /nfs/dbraw/zinc/03/78/49/1202037849.db2.gz XCJIWXWNLPOPLX-WCVJEAGWSA-N 2 2 379.505 0.426 20 0 GCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399789 1202037851 /nfs/dbraw/zinc/03/78/51/1202037851.db2.gz XCJIWXWNLPOPLX-WCVJEAGWSA-N 2 2 379.505 0.426 20 0 GCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399789 1202037855 /nfs/dbraw/zinc/03/78/55/1202037855.db2.gz XCJIWXWNLPOPLX-WCVJEAGWSA-N 2 2 379.505 0.426 20 0 GCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399789 1202037857 /nfs/dbraw/zinc/03/78/57/1202037857.db2.gz XCJIWXWNLPOPLX-WCVJEAGWSA-N 2 2 379.505 0.426 20 0 GCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400729 1202038514 /nfs/dbraw/zinc/03/85/14/1202038514.db2.gz SDJNTOAAERTAOK-VSZNYVQBSA-N 2 2 379.505 0.198 20 0 GCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400729 1202038516 /nfs/dbraw/zinc/03/85/16/1202038516.db2.gz SDJNTOAAERTAOK-VSZNYVQBSA-N 2 2 379.505 0.198 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CCO1 ZINC000769086735 1202045384 /nfs/dbraw/zinc/04/53/84/1202045384.db2.gz PWCSLVYMJFRLFX-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CCO1 ZINC000769086735 1202045386 /nfs/dbraw/zinc/04/53/86/1202045386.db2.gz PWCSLVYMJFRLFX-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CCO1 ZINC000769086735 1202045387 /nfs/dbraw/zinc/04/53/87/1202045387.db2.gz PWCSLVYMJFRLFX-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CCO1 ZINC000769086735 1202045388 /nfs/dbraw/zinc/04/53/88/1202045388.db2.gz PWCSLVYMJFRLFX-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001109464373 1202056905 /nfs/dbraw/zinc/05/69/05/1202056905.db2.gz XVCHYQQWCXXNKQ-NCOADZHNSA-N 2 2 380.533 0.686 20 0 GCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001109464373 1202056907 /nfs/dbraw/zinc/05/69/07/1202056907.db2.gz XVCHYQQWCXXNKQ-NCOADZHNSA-N 2 2 380.533 0.686 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001109464373 1202056911 /nfs/dbraw/zinc/05/69/11/1202056911.db2.gz XVCHYQQWCXXNKQ-NCOADZHNSA-N 2 2 380.533 0.686 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001109464373 1202056913 /nfs/dbraw/zinc/05/69/13/1202056913.db2.gz XVCHYQQWCXXNKQ-NCOADZHNSA-N 2 2 380.533 0.686 20 0 GCADLP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549313 1202076876 /nfs/dbraw/zinc/07/68/76/1202076876.db2.gz VHQWJAJCEYOCPE-IKGGRYGDSA-N 2 2 377.489 0.227 20 0 GCADLP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549313 1202076879 /nfs/dbraw/zinc/07/68/79/1202076879.db2.gz VHQWJAJCEYOCPE-IKGGRYGDSA-N 2 2 377.489 0.227 20 0 GCADLP C[C@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000770303008 1202093490 /nfs/dbraw/zinc/09/34/90/1202093490.db2.gz MJHKUHGEASHBMF-YJBOKZPZSA-N 2 2 389.500 0.212 20 0 GCADLP C[C@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770303008 1202093493 /nfs/dbraw/zinc/09/34/93/1202093493.db2.gz MJHKUHGEASHBMF-YJBOKZPZSA-N 2 2 389.500 0.212 20 0 GCADLP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639179 1202094485 /nfs/dbraw/zinc/09/44/85/1202094485.db2.gz SBENRLMOTSOHJY-OWSLCNJRSA-N 2 2 380.533 0.684 20 0 GCADLP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639179 1202094486 /nfs/dbraw/zinc/09/44/86/1202094486.db2.gz SBENRLMOTSOHJY-OWSLCNJRSA-N 2 2 380.533 0.684 20 0 GCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639179 1202094489 /nfs/dbraw/zinc/09/44/89/1202094489.db2.gz SBENRLMOTSOHJY-OWSLCNJRSA-N 2 2 380.533 0.684 20 0 GCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639179 1202094490 /nfs/dbraw/zinc/09/44/90/1202094490.db2.gz SBENRLMOTSOHJY-OWSLCNJRSA-N 2 2 380.533 0.684 20 0 GCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001109639144 1202094597 /nfs/dbraw/zinc/09/45/97/1202094597.db2.gz QHVJFGQWJYXAQW-LTIDMASMSA-N 2 2 380.533 0.732 20 0 GCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001109639144 1202094600 /nfs/dbraw/zinc/09/46/00/1202094600.db2.gz QHVJFGQWJYXAQW-LTIDMASMSA-N 2 2 380.533 0.732 20 0 GCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)C1 ZINC001109639144 1202094602 /nfs/dbraw/zinc/09/46/02/1202094602.db2.gz QHVJFGQWJYXAQW-LTIDMASMSA-N 2 2 380.533 0.732 20 0 GCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)C1 ZINC001109639144 1202094606 /nfs/dbraw/zinc/09/46/06/1202094606.db2.gz QHVJFGQWJYXAQW-LTIDMASMSA-N 2 2 380.533 0.732 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649759 1202097939 /nfs/dbraw/zinc/09/79/39/1202097939.db2.gz CCSZHVPSTRQHCM-ILXRZTDVSA-N 2 2 379.505 0.286 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649759 1202097943 /nfs/dbraw/zinc/09/79/43/1202097943.db2.gz CCSZHVPSTRQHCM-ILXRZTDVSA-N 2 2 379.505 0.286 20 0 GCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109709850 1202107601 /nfs/dbraw/zinc/10/76/01/1202107601.db2.gz ZWCPSWSLKJUUSB-OWSLCNJRSA-N 2 2 382.549 0.981 20 0 GCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109709850 1202107605 /nfs/dbraw/zinc/10/76/05/1202107605.db2.gz ZWCPSWSLKJUUSB-OWSLCNJRSA-N 2 2 382.549 0.981 20 0 GCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822524 1202130697 /nfs/dbraw/zinc/13/06/97/1202130697.db2.gz SSJFTENWDAUKDZ-IKGGRYGDSA-N 2 2 376.505 0.306 20 0 GCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822524 1202130699 /nfs/dbraw/zinc/13/06/99/1202130699.db2.gz SSJFTENWDAUKDZ-IKGGRYGDSA-N 2 2 376.505 0.306 20 0 GCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844744 1202134650 /nfs/dbraw/zinc/13/46/50/1202134650.db2.gz GJJWBCDVXJTXSW-ILXRZTDVSA-N 2 2 376.461 0.149 20 0 GCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844744 1202134651 /nfs/dbraw/zinc/13/46/51/1202134651.db2.gz GJJWBCDVXJTXSW-ILXRZTDVSA-N 2 2 376.461 0.149 20 0 GCADLP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2)C1CC1 ZINC001109849343 1202135928 /nfs/dbraw/zinc/13/59/28/1202135928.db2.gz NWUCXXYTRLWPKB-SQNIBIBYSA-N 2 2 378.517 0.441 20 0 GCADLP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2)C1CC1 ZINC001109849343 1202135931 /nfs/dbraw/zinc/13/59/31/1202135931.db2.gz NWUCXXYTRLWPKB-SQNIBIBYSA-N 2 2 378.517 0.441 20 0 GCADLP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC ZINC001109858217 1202137765 /nfs/dbraw/zinc/13/77/65/1202137765.db2.gz ZWWPOUYQWKJBIU-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC ZINC001109858217 1202137767 /nfs/dbraw/zinc/13/77/67/1202137767.db2.gz ZWWPOUYQWKJBIU-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC ZINC001109858217 1202137770 /nfs/dbraw/zinc/13/77/70/1202137770.db2.gz ZWWPOUYQWKJBIU-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC ZINC001109858217 1202137773 /nfs/dbraw/zinc/13/77/73/1202137773.db2.gz ZWWPOUYQWKJBIU-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC)C(C)C ZINC001109859210 1202137872 /nfs/dbraw/zinc/13/78/72/1202137872.db2.gz PNTTXTBDWOZMFV-AESZEHBQSA-N 2 2 381.521 0.530 20 0 GCADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC)C(C)C ZINC001109859210 1202137875 /nfs/dbraw/zinc/13/78/75/1202137875.db2.gz PNTTXTBDWOZMFV-AESZEHBQSA-N 2 2 381.521 0.530 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878210 1202142759 /nfs/dbraw/zinc/14/27/59/1202142759.db2.gz MGNYTKFYELTGNO-FZKCQIBNSA-N 2 2 379.505 0.284 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878210 1202142760 /nfs/dbraw/zinc/14/27/60/1202142760.db2.gz MGNYTKFYELTGNO-FZKCQIBNSA-N 2 2 379.505 0.284 20 0 GCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902339 1202146609 /nfs/dbraw/zinc/14/66/09/1202146609.db2.gz COSRSOMGLKOQDA-NJAFHUGGSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902339 1202146613 /nfs/dbraw/zinc/14/66/13/1202146613.db2.gz COSRSOMGLKOQDA-NJAFHUGGSA-N 2 2 380.533 0.591 20 0 GCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC2CC2)C1 ZINC001109975982 1202164849 /nfs/dbraw/zinc/16/48/49/1202164849.db2.gz MPNITAGOWAFRMC-OJLVUWQFSA-N 2 2 377.489 0.038 20 0 GCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC2CC2)C1 ZINC001109975982 1202164850 /nfs/dbraw/zinc/16/48/50/1202164850.db2.gz MPNITAGOWAFRMC-OJLVUWQFSA-N 2 2 377.489 0.038 20 0 GCADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)C1 ZINC001109975982 1202164853 /nfs/dbraw/zinc/16/48/53/1202164853.db2.gz MPNITAGOWAFRMC-OJLVUWQFSA-N 2 2 377.489 0.038 20 0 GCADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)C1 ZINC001109975982 1202164854 /nfs/dbraw/zinc/16/48/54/1202164854.db2.gz MPNITAGOWAFRMC-OJLVUWQFSA-N 2 2 377.489 0.038 20 0 GCADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790732449 1205470645 /nfs/dbraw/zinc/47/06/45/1205470645.db2.gz LOMUDULLVXHBNB-BBRMVZONSA-N 2 2 376.509 0.879 20 0 GCADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790732449 1205470646 /nfs/dbraw/zinc/47/06/46/1205470646.db2.gz LOMUDULLVXHBNB-BBRMVZONSA-N 2 2 376.509 0.879 20 0 GCADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000792971523 1205495279 /nfs/dbraw/zinc/49/52/79/1205495279.db2.gz BIBICPMSUYIABB-INIZCTEOSA-N 2 2 384.521 0.502 20 0 GCADLP C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793678344 1205502416 /nfs/dbraw/zinc/50/24/16/1205502416.db2.gz FFZGSAZNVKQIEQ-DLBZAZTESA-N 2 2 388.512 0.855 20 0 GCADLP C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793678344 1205502417 /nfs/dbraw/zinc/50/24/17/1205502417.db2.gz FFZGSAZNVKQIEQ-DLBZAZTESA-N 2 2 388.512 0.855 20 0 GCADLP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000793738498 1205505462 /nfs/dbraw/zinc/50/54/62/1205505462.db2.gz RZMZCKPBTCRSII-KRWDZBQOSA-N 2 2 380.533 0.689 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794398516 1205514426 /nfs/dbraw/zinc/51/44/26/1205514426.db2.gz CPDABCXNLIPWOY-JKSUJKDBSA-N 2 2 384.521 0.501 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794398516 1205514429 /nfs/dbraw/zinc/51/44/29/1205514429.db2.gz CPDABCXNLIPWOY-JKSUJKDBSA-N 2 2 384.521 0.501 20 0 GCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130012298 1205528489 /nfs/dbraw/zinc/52/84/89/1205528489.db2.gz ZJEJILALFJSHRW-KONPQCLYSA-N 2 2 387.488 0.583 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3C3OCCO3)C2)CC1 ZINC000806209806 1205551605 /nfs/dbraw/zinc/55/16/05/1205551605.db2.gz BGQNBJOTZDNSRN-RDJZCZTQSA-N 2 2 394.516 0.025 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3C3OCCO3)C2)CC1 ZINC000806209806 1205551606 /nfs/dbraw/zinc/55/16/06/1205551606.db2.gz BGQNBJOTZDNSRN-RDJZCZTQSA-N 2 2 394.516 0.025 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC1(C)OCCO1 ZINC000806210747 1205551620 /nfs/dbraw/zinc/55/16/20/1205551620.db2.gz ZBQNIRFMXLDSEO-JKSUJKDBSA-N 2 2 396.532 0.177 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC1(C)OCCO1 ZINC000806210747 1205551622 /nfs/dbraw/zinc/55/16/22/1205551622.db2.gz ZBQNIRFMXLDSEO-JKSUJKDBSA-N 2 2 396.532 0.177 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(c4cn[nH]c4)CC3)C2)CC1 ZINC000806210578 1205551712 /nfs/dbraw/zinc/55/17/12/1205551712.db2.gz URPUCKVZWGSBEL-KRWDZBQOSA-N 2 2 388.516 0.400 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(c4cn[nH]c4)CC3)C2)CC1 ZINC000806210578 1205551713 /nfs/dbraw/zinc/55/17/13/1205551713.db2.gz URPUCKVZWGSBEL-KRWDZBQOSA-N 2 2 388.516 0.400 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(c4cn[nH]c4)CC3)C2)CC1 ZINC000806210579 1205551939 /nfs/dbraw/zinc/55/19/39/1205551939.db2.gz URPUCKVZWGSBEL-QGZVFWFLSA-N 2 2 388.516 0.400 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(c4cn[nH]c4)CC3)C2)CC1 ZINC000806210579 1205551940 /nfs/dbraw/zinc/55/19/40/1205551940.db2.gz URPUCKVZWGSBEL-QGZVFWFLSA-N 2 2 388.516 0.400 20 0 GCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)[nH+]c12 ZINC000806537732 1205558323 /nfs/dbraw/zinc/55/83/23/1205558323.db2.gz VCZRVFVZHNCOQT-SJORKVTESA-N 2 2 385.468 0.281 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)CC1 ZINC000806842937 1205567516 /nfs/dbraw/zinc/56/75/16/1205567516.db2.gz AZBPQYZQCCMRBR-JSGCOSHPSA-N 2 2 376.423 0.824 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)CC1 ZINC000806842937 1205567517 /nfs/dbraw/zinc/56/75/17/1205567517.db2.gz AZBPQYZQCCMRBR-JSGCOSHPSA-N 2 2 376.423 0.824 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000807682487 1205588274 /nfs/dbraw/zinc/58/82/74/1205588274.db2.gz ODOJYSPLHGWSOK-UHFFFAOYSA-N 2 2 380.533 0.690 20 0 GCADLP Cc1ncc(CCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000807937385 1205593957 /nfs/dbraw/zinc/59/39/57/1205593957.db2.gz BSLVICPNNKRJQK-UHFFFAOYSA-N 2 2 381.546 0.595 20 0 GCADLP Cc1ncc(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000807937385 1205593959 /nfs/dbraw/zinc/59/39/59/1205593959.db2.gz BSLVICPNNKRJQK-UHFFFAOYSA-N 2 2 381.546 0.595 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)C1 ZINC000747470030 1205603910 /nfs/dbraw/zinc/60/39/10/1205603910.db2.gz JPSZZAFUUKWWAV-ZWKOTPCHSA-N 2 2 391.516 0.728 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)C1 ZINC000747470030 1205603911 /nfs/dbraw/zinc/60/39/11/1205603911.db2.gz JPSZZAFUUKWWAV-ZWKOTPCHSA-N 2 2 391.516 0.728 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)C1 ZINC000747469728 1205604004 /nfs/dbraw/zinc/60/40/04/1205604004.db2.gz JPSZZAFUUKWWAV-QZTJIDSGSA-N 2 2 391.516 0.728 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)C1 ZINC000747469728 1205604005 /nfs/dbraw/zinc/60/40/05/1205604005.db2.gz JPSZZAFUUKWWAV-QZTJIDSGSA-N 2 2 391.516 0.728 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)C(=O)OC4)C2)CC1 ZINC000808940335 1205614844 /nfs/dbraw/zinc/61/48/44/1205614844.db2.gz VQOPKYGJSDNBBO-OAHLLOKOSA-N 2 2 386.452 0.580 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)C(=O)OC4)C2)CC1 ZINC000808940335 1205614846 /nfs/dbraw/zinc/61/48/46/1205614846.db2.gz VQOPKYGJSDNBBO-OAHLLOKOSA-N 2 2 386.452 0.580 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131517350 1205615401 /nfs/dbraw/zinc/61/54/01/1205615401.db2.gz MIFVHJUDKQPXTF-MTNOOBJLSA-N 2 2 392.500 0.508 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131517350 1205615402 /nfs/dbraw/zinc/61/54/02/1205615402.db2.gz MIFVHJUDKQPXTF-MTNOOBJLSA-N 2 2 392.500 0.508 20 0 GCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747560548 1205624549 /nfs/dbraw/zinc/62/45/49/1205624549.db2.gz DHIPTOAPNXVWKC-IRXDYDNUSA-N 2 2 378.477 0.200 20 0 GCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747560548 1205624551 /nfs/dbraw/zinc/62/45/51/1205624551.db2.gz DHIPTOAPNXVWKC-IRXDYDNUSA-N 2 2 378.477 0.200 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CCO1 ZINC000747586385 1205632823 /nfs/dbraw/zinc/63/28/23/1205632823.db2.gz XPWOMRKYYJNFPN-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CCO1 ZINC000747586385 1205632824 /nfs/dbraw/zinc/63/28/24/1205632824.db2.gz XPWOMRKYYJNFPN-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CCO1 ZINC000747586385 1205632825 /nfs/dbraw/zinc/63/28/25/1205632825.db2.gz XPWOMRKYYJNFPN-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CCO1 ZINC000747586385 1205632826 /nfs/dbraw/zinc/63/28/26/1205632826.db2.gz XPWOMRKYYJNFPN-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000805473163 1205671091 /nfs/dbraw/zinc/67/10/91/1205671091.db2.gz RXIABBFLGJLKSL-QGZVFWFLSA-N 2 2 397.516 0.402 20 0 GCADLP CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000805473163 1205671092 /nfs/dbraw/zinc/67/10/92/1205671092.db2.gz RXIABBFLGJLKSL-QGZVFWFLSA-N 2 2 397.516 0.402 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110103488 1205679948 /nfs/dbraw/zinc/67/99/48/1205679948.db2.gz XDDCLQSTHMYLHO-QZWWFDLISA-N 2 2 375.473 0.208 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110103488 1205679950 /nfs/dbraw/zinc/67/99/50/1205679950.db2.gz XDDCLQSTHMYLHO-QZWWFDLISA-N 2 2 375.473 0.208 20 0 GCADLP O=C1CC[C@@H]2C[C@@H]([N@@H+]3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)CCN12 ZINC001172175691 1205713784 /nfs/dbraw/zinc/71/37/84/1205713784.db2.gz VJEKVSSESYCZLN-DLBZAZTESA-N 2 2 382.468 0.847 20 0 GCADLP O=C1CC[C@@H]2C[C@@H]([N@H+]3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)CCN12 ZINC001172175691 1205713785 /nfs/dbraw/zinc/71/37/85/1205713785.db2.gz VJEKVSSESYCZLN-DLBZAZTESA-N 2 2 382.468 0.847 20 0 GCADLP COC(=O)[C@H]1CCC[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001172612060 1205716389 /nfs/dbraw/zinc/71/63/89/1205716389.db2.gz RBBWGTKBTQESGV-SDADXPQNSA-N 2 2 391.472 0.134 20 0 GCADLP COc1ccc(CN2CC[C@@H](NC(=[NH2+])N3CC[NH+](C)CC3)CC2=O)c(OC)c1 ZINC001173019228 1205718168 /nfs/dbraw/zinc/71/81/68/1205718168.db2.gz BUPOVBKAMWRQEP-MRXNPFEDSA-N 2 2 389.500 0.967 20 0 GCADLP COC(=O)CCCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001173447507 1205721192 /nfs/dbraw/zinc/72/11/92/1205721192.db2.gz DYRYULDRWQZFCS-KBMXLJTQSA-N 2 2 393.488 0.524 20 0 GCADLP CC[C@]1(C(=O)OC)C[C@H]([NH+]2CCN(CC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173542985 1205722976 /nfs/dbraw/zinc/72/29/76/1205722976.db2.gz PYWSEZSVVFWONU-HNAYVOBHSA-N 2 2 384.521 0.894 20 0 GCADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](CCC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173517937 1205723197 /nfs/dbraw/zinc/72/31/97/1205723197.db2.gz TYNZUQWKCIVMJK-MOPGFXCFSA-N 2 2 388.512 0.799 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)C2 ZINC001173755167 1205727509 /nfs/dbraw/zinc/72/75/09/1205727509.db2.gz UKOMFGXOGLXGPR-IAGOWNOFSA-N 2 2 395.471 0.864 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)C2 ZINC001173755167 1205727510 /nfs/dbraw/zinc/72/75/10/1205727510.db2.gz UKOMFGXOGLXGPR-IAGOWNOFSA-N 2 2 395.471 0.864 20 0 GCADLP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc4n(n3)CCC[NH+](C)C4)CC[C@@H]2C1 ZINC001175064750 1205734199 /nfs/dbraw/zinc/73/41/99/1205734199.db2.gz MKTLXBBSBKRATG-VQIMIIECSA-N 2 2 391.516 0.528 20 0 GCADLP COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3cc4n(n3)CCC[NH+](C)C4)CC[C@@H]2C1 ZINC001175064750 1205734201 /nfs/dbraw/zinc/73/42/01/1205734201.db2.gz MKTLXBBSBKRATG-VQIMIIECSA-N 2 2 391.516 0.528 20 0 GCADLP COCC[NH+]1CCO[C@@H]2CN(C(=O)c3cc4n(n3)CCC[N@H+](C)C4)CC[C@@H]2C1 ZINC001175064750 1205734203 /nfs/dbraw/zinc/73/42/03/1205734203.db2.gz MKTLXBBSBKRATG-VQIMIIECSA-N 2 2 391.516 0.528 20 0 GCADLP COCC[NH+]1CCO[C@@H]2CN(C(=O)c3cc4n(n3)CCC[N@@H+](C)C4)CC[C@@H]2C1 ZINC001175064750 1205734205 /nfs/dbraw/zinc/73/42/05/1205734205.db2.gz MKTLXBBSBKRATG-VQIMIIECSA-N 2 2 391.516 0.528 20 0 GCADLP COc1ccnc(N(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)C2CC[NH2+]CC2)c1 ZINC001176353419 1205746834 /nfs/dbraw/zinc/74/68/34/1205746834.db2.gz AOOVIUBXDYMCIN-QGZVFWFLSA-N 2 2 386.456 0.646 20 0 GCADLP COc1ccnc(N(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)C2CC[NH2+]CC2)c1 ZINC001176353419 1205746837 /nfs/dbraw/zinc/74/68/37/1205746837.db2.gz AOOVIUBXDYMCIN-QGZVFWFLSA-N 2 2 386.456 0.646 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1 ZINC001111502532 1205748472 /nfs/dbraw/zinc/74/84/72/1205748472.db2.gz KCUSVDFNZWQZMK-AHCXZYCDSA-N 2 2 378.473 0.161 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COC1CCOCC1 ZINC001111502532 1205748473 /nfs/dbraw/zinc/74/84/73/1205748473.db2.gz KCUSVDFNZWQZMK-AHCXZYCDSA-N 2 2 378.473 0.161 20 0 GCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2c[nH+]c[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001176836377 1205756043 /nfs/dbraw/zinc/75/60/43/1205756043.db2.gz HETQCCPSAOCPGR-LZDZAVHKSA-N 3 2 397.520 0.248 20 0 GCADLP C[NH+]1CCC(CO)(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)CC1 ZINC001177093751 1205762247 /nfs/dbraw/zinc/76/22/47/1205762247.db2.gz GXOALVYDTZRRGZ-CQSZACIVSA-N 2 2 381.477 0.418 20 0 GCADLP C[NH+]1CCC(CO)(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)CC1 ZINC001177093751 1205762248 /nfs/dbraw/zinc/76/22/48/1205762248.db2.gz GXOALVYDTZRRGZ-CQSZACIVSA-N 2 2 381.477 0.418 20 0 GCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC001178104198 1205782034 /nfs/dbraw/zinc/78/20/34/1205782034.db2.gz ZHABMHSWGAVWSV-CYBMUJFWSA-N 2 2 386.456 0.310 20 0 GCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001179028842 1205800486 /nfs/dbraw/zinc/80/04/86/1205800486.db2.gz FCIIAFKOIIXPTD-UONOGXRCSA-N 2 2 397.476 0.455 20 0 GCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001179028842 1205800487 /nfs/dbraw/zinc/80/04/87/1205800487.db2.gz FCIIAFKOIIXPTD-UONOGXRCSA-N 2 2 397.476 0.455 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O ZINC001179555730 1205811896 /nfs/dbraw/zinc/81/18/96/1205811896.db2.gz KRMXUEAEEGVMAS-ZACQAIPSSA-N 2 2 378.517 0.251 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O ZINC001179555730 1205811898 /nfs/dbraw/zinc/81/18/98/1205811898.db2.gz KRMXUEAEEGVMAS-ZACQAIPSSA-N 2 2 378.517 0.251 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001180388930 1205823366 /nfs/dbraw/zinc/82/33/66/1205823366.db2.gz RJAYPLHJZREPOT-UHFFFAOYSA-N 2 2 376.505 0.034 20 0 GCADLP C[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)[NH+]1CCCC1 ZINC001180579541 1205826297 /nfs/dbraw/zinc/82/62/97/1205826297.db2.gz MTTWZZUEQAYPFR-KRWDZBQOSA-N 3 2 379.549 0.168 20 0 GCADLP C[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)[NH+]1CCCC1 ZINC001180579541 1205826299 /nfs/dbraw/zinc/82/62/99/1205826299.db2.gz MTTWZZUEQAYPFR-KRWDZBQOSA-N 3 2 379.549 0.168 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[NH+](C)C3CCCC3)CC2)C1=O ZINC001180627296 1205828777 /nfs/dbraw/zinc/82/87/77/1205828777.db2.gz FBHZFQFMVOEQHJ-UHFFFAOYSA-N 3 2 393.576 0.558 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[NH+](C)C3CCCC3)CC2)C1=O ZINC001180627296 1205828778 /nfs/dbraw/zinc/82/87/78/1205828778.db2.gz FBHZFQFMVOEQHJ-UHFFFAOYSA-N 3 2 393.576 0.558 20 0 GCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)C[N@H+](C)C3CCCC3)CC2)C1=O ZINC001180627296 1205828780 /nfs/dbraw/zinc/82/87/80/1205828780.db2.gz FBHZFQFMVOEQHJ-UHFFFAOYSA-N 3 2 393.576 0.558 20 0 GCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)C[N@@H+](C)C3CCCC3)CC2)C1=O ZINC001180627296 1205828782 /nfs/dbraw/zinc/82/87/82/1205828782.db2.gz FBHZFQFMVOEQHJ-UHFFFAOYSA-N 3 2 393.576 0.558 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)COCC[NH+](CC(=O)NC)C2 ZINC001181991548 1205852892 /nfs/dbraw/zinc/85/28/92/1205852892.db2.gz ALAYOTWEDQZRQT-YLJYHZDGSA-N 2 2 380.533 0.548 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)COCC[NH+](CC(=O)NC)C2 ZINC001181991548 1205852894 /nfs/dbraw/zinc/85/28/94/1205852894.db2.gz ALAYOTWEDQZRQT-YLJYHZDGSA-N 2 2 380.533 0.548 20 0 GCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001181991548 1205852896 /nfs/dbraw/zinc/85/28/96/1205852896.db2.gz ALAYOTWEDQZRQT-YLJYHZDGSA-N 2 2 380.533 0.548 20 0 GCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001181991548 1205852897 /nfs/dbraw/zinc/85/28/97/1205852897.db2.gz ALAYOTWEDQZRQT-YLJYHZDGSA-N 2 2 380.533 0.548 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001181996356 1205853036 /nfs/dbraw/zinc/85/30/36/1205853036.db2.gz PKZNKIOQOQSCQA-GOSISDBHSA-N 3 2 393.576 0.558 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001181996356 1205853037 /nfs/dbraw/zinc/85/30/37/1205853037.db2.gz PKZNKIOQOQSCQA-GOSISDBHSA-N 3 2 393.576 0.558 20 0 GCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181996356 1205853038 /nfs/dbraw/zinc/85/30/38/1205853038.db2.gz PKZNKIOQOQSCQA-GOSISDBHSA-N 3 2 393.576 0.558 20 0 GCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181996356 1205853039 /nfs/dbraw/zinc/85/30/39/1205853039.db2.gz PKZNKIOQOQSCQA-GOSISDBHSA-N 3 2 393.576 0.558 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)[C@@H]2NCN[C@H]21 ZINC001182244985 1205861277 /nfs/dbraw/zinc/86/12/77/1205861277.db2.gz RMHGWRLKBQRVCP-FJIDUMEYSA-N 2 2 392.935 0.776 20 0 GCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001182596598 1205876631 /nfs/dbraw/zinc/87/66/31/1205876631.db2.gz JRQBVBRQGBNGOC-INIZCTEOSA-N 2 2 391.516 0.289 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[C@]34CCCOC4)CC2)C1=O ZINC001183714998 1205899114 /nfs/dbraw/zinc/89/91/14/1205899114.db2.gz LESXSVNGFOLPDW-XLIONFOSSA-N 2 2 392.544 0.500 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[C@]34CCCOC4)CC2)C1=O ZINC001183714998 1205899115 /nfs/dbraw/zinc/89/91/15/1205899115.db2.gz LESXSVNGFOLPDW-XLIONFOSSA-N 2 2 392.544 0.500 20 0 GCADLP C[N@H+](CC(=O)NC[C@H]1C[NH+](C)CCO1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814156 1205900445 /nfs/dbraw/zinc/90/04/45/1205900445.db2.gz BCBDNEGZRXMBRY-CVEARBPZSA-N 2 2 384.521 0.765 20 0 GCADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+](C)CCO1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814156 1205900446 /nfs/dbraw/zinc/90/04/46/1205900446.db2.gz BCBDNEGZRXMBRY-CVEARBPZSA-N 2 2 384.521 0.765 20 0 GCADLP C[NH+](CC(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814156 1205900447 /nfs/dbraw/zinc/90/04/47/1205900447.db2.gz BCBDNEGZRXMBRY-CVEARBPZSA-N 2 2 384.521 0.765 20 0 GCADLP C[NH+](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814156 1205900448 /nfs/dbraw/zinc/90/04/48/1205900448.db2.gz BCBDNEGZRXMBRY-CVEARBPZSA-N 2 2 384.521 0.765 20 0 GCADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CCc1ccc(N)[nH+]c1 ZINC001183931643 1205902358 /nfs/dbraw/zinc/90/23/58/1205902358.db2.gz KZAQUMPPEHSKBZ-UHFFFAOYSA-N 2 2 379.442 0.219 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000774729064 1205906642 /nfs/dbraw/zinc/90/66/42/1205906642.db2.gz SVTBXIYUYGNGHL-UHFFFAOYSA-N 2 2 396.557 0.986 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000774729064 1205906644 /nfs/dbraw/zinc/90/66/44/1205906644.db2.gz SVTBXIYUYGNGHL-UHFFFAOYSA-N 2 2 396.557 0.986 20 0 GCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001185255682 1205919790 /nfs/dbraw/zinc/91/97/90/1205919790.db2.gz AHMCUPXJFPXNRE-HYVNUMGLSA-N 2 2 385.516 0.877 20 0 GCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCN2C)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001185255682 1205919791 /nfs/dbraw/zinc/91/97/91/1205919791.db2.gz AHMCUPXJFPXNRE-HYVNUMGLSA-N 2 2 385.516 0.877 20 0 GCADLP Cc1ccc(N(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001186039298 1205933626 /nfs/dbraw/zinc/93/36/26/1205933626.db2.gz WWBFFDYGXAEFTH-GJYPPUQNSA-N 2 2 375.473 0.096 20 0 GCADLP Cc1ccc(N(C(=O)C[N@H+]2CC[C@H](O)C2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001186039298 1205933627 /nfs/dbraw/zinc/93/36/27/1205933627.db2.gz WWBFFDYGXAEFTH-GJYPPUQNSA-N 2 2 375.473 0.096 20 0 GCADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)C[NH+]4CC[C@H](O)C4)CC[C@@H]3C2)cs1 ZINC001186037727 1205933695 /nfs/dbraw/zinc/93/36/95/1205933695.db2.gz KUEBBACYYHPSQM-BPQIPLTHSA-N 2 2 394.541 0.567 20 0 GCADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)C[NH+]4CC[C@H](O)C4)CC[C@@H]3C2)cs1 ZINC001186037727 1205933696 /nfs/dbraw/zinc/93/36/96/1205933696.db2.gz KUEBBACYYHPSQM-BPQIPLTHSA-N 2 2 394.541 0.567 20 0 GCADLP Cc1nc(C[NH+]2CCO[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](O)C4)CC[C@@H]3C2)cs1 ZINC001186037727 1205933697 /nfs/dbraw/zinc/93/36/97/1205933697.db2.gz KUEBBACYYHPSQM-BPQIPLTHSA-N 2 2 394.541 0.567 20 0 GCADLP Cc1nc(C[NH+]2CCO[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](O)C4)CC[C@@H]3C2)cs1 ZINC001186037727 1205933698 /nfs/dbraw/zinc/93/36/98/1205933698.db2.gz KUEBBACYYHPSQM-BPQIPLTHSA-N 2 2 394.541 0.567 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)NCC3CCOCC3)CC2)C1=O ZINC001186918826 1205951807 /nfs/dbraw/zinc/95/18/07/1205951807.db2.gz JXIIHPWEJZOJSS-UHFFFAOYSA-N 2 2 395.548 0.293 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)NCC3CCOCC3)CC2)C1=O ZINC001186918826 1205951808 /nfs/dbraw/zinc/95/18/08/1205951808.db2.gz JXIIHPWEJZOJSS-UHFFFAOYSA-N 2 2 395.548 0.293 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNC(=O)C(F)(F)F ZINC001110385916 1205952252 /nfs/dbraw/zinc/95/22/52/1205952252.db2.gz AVTOQAZSALMTPZ-MQYQWHSLSA-N 2 2 376.423 0.871 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNC(=O)C(F)(F)F ZINC001110385916 1205952253 /nfs/dbraw/zinc/95/22/53/1205952253.db2.gz AVTOQAZSALMTPZ-MQYQWHSLSA-N 2 2 376.423 0.871 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001110385916 1205952254 /nfs/dbraw/zinc/95/22/54/1205952254.db2.gz AVTOQAZSALMTPZ-MQYQWHSLSA-N 2 2 376.423 0.871 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNC(=O)C(F)(F)F ZINC001110385916 1205952255 /nfs/dbraw/zinc/95/22/55/1205952255.db2.gz AVTOQAZSALMTPZ-MQYQWHSLSA-N 2 2 376.423 0.871 20 0 GCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cn1C ZINC001188069933 1205974806 /nfs/dbraw/zinc/97/48/06/1205974806.db2.gz ZAJGXVBWJMJJLW-UHFFFAOYSA-N 2 2 375.517 0.644 20 0 GCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cn1C ZINC001188069933 1205974807 /nfs/dbraw/zinc/97/48/07/1205974807.db2.gz ZAJGXVBWJMJJLW-UHFFFAOYSA-N 2 2 375.517 0.644 20 0 GCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188247000 1205977098 /nfs/dbraw/zinc/97/70/98/1205977098.db2.gz QQCZVXJNCFXPJE-BVIKNXMNSA-N 2 2 375.473 0.199 20 0 GCADLP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188247000 1205977101 /nfs/dbraw/zinc/97/71/01/1205977101.db2.gz QQCZVXJNCFXPJE-BVIKNXMNSA-N 2 2 375.473 0.199 20 0 GCADLP Cc1n[nH]c(C)c1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001188588788 1205988534 /nfs/dbraw/zinc/98/85/34/1205988534.db2.gz DNQMMIMTFXUVJN-UHFFFAOYSA-N 2 2 376.505 0.337 20 0 GCADLP Cc1n[nH]c(C)c1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001188588788 1205988536 /nfs/dbraw/zinc/98/85/36/1205988536.db2.gz DNQMMIMTFXUVJN-UHFFFAOYSA-N 2 2 376.505 0.337 20 0 GCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167464 1205999742 /nfs/dbraw/zinc/99/97/42/1205999742.db2.gz OXHYBGSUVYRHER-BVIKNXMNSA-N 2 2 388.516 0.764 20 0 GCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167464 1205999744 /nfs/dbraw/zinc/99/97/44/1205999744.db2.gz OXHYBGSUVYRHER-BVIKNXMNSA-N 2 2 388.516 0.764 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435237 1206054765 /nfs/dbraw/zinc/05/47/65/1206054765.db2.gz VAFGHKJZVUJWSQ-JKSUJKDBSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435237 1206054771 /nfs/dbraw/zinc/05/47/71/1206054771.db2.gz VAFGHKJZVUJWSQ-JKSUJKDBSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435237 1206054774 /nfs/dbraw/zinc/05/47/74/1206054774.db2.gz VAFGHKJZVUJWSQ-JKSUJKDBSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435237 1206054777 /nfs/dbraw/zinc/05/47/77/1206054777.db2.gz VAFGHKJZVUJWSQ-JKSUJKDBSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775431852 1206055285 /nfs/dbraw/zinc/05/52/85/1206055285.db2.gz YPVNCJZVEGFBBW-HNNXBMFYSA-N 2 2 387.525 0.415 20 0 GCADLP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775431852 1206055287 /nfs/dbraw/zinc/05/52/87/1206055287.db2.gz YPVNCJZVEGFBBW-HNNXBMFYSA-N 2 2 387.525 0.415 20 0 GCADLP COCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775431852 1206055291 /nfs/dbraw/zinc/05/52/91/1206055291.db2.gz YPVNCJZVEGFBBW-HNNXBMFYSA-N 2 2 387.525 0.415 20 0 GCADLP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775431852 1206055293 /nfs/dbraw/zinc/05/52/93/1206055293.db2.gz YPVNCJZVEGFBBW-HNNXBMFYSA-N 2 2 387.525 0.415 20 0 GCADLP c1ccc(N2CCN(c3cc(N4CCN5CC[NH2+]C[C@@H]5C4)nc[nH+]3)CC2)cc1 ZINC001164408184 718841487 /nfs/dbraw/zinc/84/14/87/718841487.db2.gz YPNYQSKHXCQHET-LJQANCHMSA-N 2 2 379.512 0.897 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001164704954 719880733 /nfs/dbraw/zinc/88/07/33/719880733.db2.gz XXYQSZSKNZLKDX-BEFAXECRSA-N 2 2 375.473 0.396 20 0 GCADLP CN(C)c1cc[nH+]c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709172 719907069 /nfs/dbraw/zinc/90/70/69/719907069.db2.gz PVUKFECDPNEYNL-UHFFFAOYSA-N 2 2 383.500 0.831 20 0 GCADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001164927926 721876039 /nfs/dbraw/zinc/87/60/39/721876039.db2.gz XFWFYEAZTIOTMP-QZTJIDSGSA-N 2 2 387.532 0.131 20 0 GCADLP C[NH+](C)CC1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001165043123 721942807 /nfs/dbraw/zinc/94/28/07/721942807.db2.gz WKUFCJYWXFIQNF-UHFFFAOYSA-N 2 2 391.520 0.323 20 0 GCADLP C[NH+](C)CC1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001165043123 721942817 /nfs/dbraw/zinc/94/28/17/721942817.db2.gz WKUFCJYWXFIQNF-UHFFFAOYSA-N 2 2 391.520 0.323 20 0 GCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272344 945659996 /nfs/dbraw/zinc/65/99/96/945659996.db2.gz SHMYSGCFUXOVLF-GFCCVEGCSA-N 2 2 386.485 0.937 20 0 GCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272344 945660004 /nfs/dbraw/zinc/66/00/04/945660004.db2.gz SHMYSGCFUXOVLF-GFCCVEGCSA-N 2 2 386.485 0.937 20 0 GCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571276137 945725244 /nfs/dbraw/zinc/72/52/44/945725244.db2.gz HXGUGIWRDFIAGX-BBRMVZONSA-N 2 2 386.460 0.020 20 0 GCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571276137 945725251 /nfs/dbraw/zinc/72/52/51/945725251.db2.gz HXGUGIWRDFIAGX-BBRMVZONSA-N 2 2 386.460 0.020 20 0 GCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571276140 945725273 /nfs/dbraw/zinc/72/52/73/945725273.db2.gz HXGUGIWRDFIAGX-XJKSGUPXSA-N 2 2 386.460 0.020 20 0 GCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571276140 945725278 /nfs/dbraw/zinc/72/52/78/945725278.db2.gz HXGUGIWRDFIAGX-XJKSGUPXSA-N 2 2 386.460 0.020 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824412675 946693587 /nfs/dbraw/zinc/69/35/87/946693587.db2.gz DJIBOOBSZXIEJA-MRXNPFEDSA-N 2 2 399.499 0.479 20 0 GCADLP CCNS(=O)(=O)CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825476031 947197363 /nfs/dbraw/zinc/19/73/63/947197363.db2.gz AAWSBBZYKHSDKV-UHFFFAOYSA-N 2 2 393.517 0.360 20 0 GCADLP Cc1onc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826342933 947986057 /nfs/dbraw/zinc/98/60/57/947986057.db2.gz GEGWDWJRFZKPKV-AWEZNQCLSA-N 2 2 388.476 0.333 20 0 GCADLP Cc1onc(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826342933 947986063 /nfs/dbraw/zinc/98/60/63/947986063.db2.gz GEGWDWJRFZKPKV-AWEZNQCLSA-N 2 2 388.476 0.333 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574432273 948930809 /nfs/dbraw/zinc/93/08/09/948930809.db2.gz ICPUXLNNIOXWCP-CYBMUJFWSA-N 2 2 381.444 0.717 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574433275 948950037 /nfs/dbraw/zinc/95/00/37/948950037.db2.gz RUZHLKQHWMSLCT-UHFFFAOYSA-N 2 2 381.444 0.764 20 0 GCADLP C[C@H](CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574471435 949538490 /nfs/dbraw/zinc/53/84/90/949538490.db2.gz MTXUUOJYSHPZAL-IYXRBSQSSA-N 2 2 381.444 0.933 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711873 949560932 /nfs/dbraw/zinc/56/09/32/949560932.db2.gz NJQDOQBJJSHGPH-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711873 949560949 /nfs/dbraw/zinc/56/09/49/949560949.db2.gz NJQDOQBJJSHGPH-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574711999 949571145 /nfs/dbraw/zinc/57/11/45/949571145.db2.gz PKLUQOULEBTUGY-WCQYABFASA-N 2 2 379.490 0.195 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574711999 949571164 /nfs/dbraw/zinc/57/11/64/949571164.db2.gz PKLUQOULEBTUGY-WCQYABFASA-N 2 2 379.490 0.195 20 0 GCADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285605 949951117 /nfs/dbraw/zinc/95/11/17/949951117.db2.gz PCSKERIZLNQLHW-LBPRGKRZSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574489318 949957044 /nfs/dbraw/zinc/95/70/44/949957044.db2.gz IISWZHOPRPBLAB-IHRRRGAJSA-N 2 2 379.428 0.899 20 0 GCADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574489319 949957436 /nfs/dbraw/zinc/95/74/36/949957436.db2.gz IISWZHOPRPBLAB-RDBSUJKOSA-N 2 2 379.428 0.899 20 0 GCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574728485 949989817 /nfs/dbraw/zinc/98/98/17/949989817.db2.gz BJRAWTYSOAEHMJ-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574728483 949990613 /nfs/dbraw/zinc/99/06/13/949990613.db2.gz BJLXYFJAGFVFOK-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574728484 949992584 /nfs/dbraw/zinc/99/25/84/949992584.db2.gz BJLXYFJAGFVFOK-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574492356 950078851 /nfs/dbraw/zinc/07/88/51/950078851.db2.gz AJSKYZOGBIHPJD-UKRRQHHQSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574494758 950184514 /nfs/dbraw/zinc/18/45/14/950184514.db2.gz NVYICVINXMRETA-CJNGLKHVSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@H](CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cc[nH+]c1 ZINC001574494843 950189860 /nfs/dbraw/zinc/18/98/60/950189860.db2.gz PDJCRGLVDHKHLZ-MLGOLLRUSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574496517 950214751 /nfs/dbraw/zinc/21/47/51/950214751.db2.gz XDVDBDLATIIRFN-RYUDHWBXSA-N 2 2 390.473 0.343 20 0 GCADLP C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575901845 950242253 /nfs/dbraw/zinc/24/22/53/950242253.db2.gz QQQYPLUQNMJNTK-WBMJQRKESA-N 2 2 384.419 0.982 20 0 GCADLP CC1CC[NH+](CC(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576197440 950390192 /nfs/dbraw/zinc/39/01/92/950390192.db2.gz NYDFDCWTGNJJNE-HNNXBMFYSA-N 2 2 384.488 0.818 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001576204114 950459939 /nfs/dbraw/zinc/45/99/39/950459939.db2.gz LYFGGGQQDQGZOT-XJKSGUPXSA-N 2 2 386.504 0.968 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001576204114 950459961 /nfs/dbraw/zinc/45/99/61/950459961.db2.gz LYFGGGQQDQGZOT-XJKSGUPXSA-N 2 2 386.504 0.968 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001576204340 950465200 /nfs/dbraw/zinc/46/52/00/950465200.db2.gz OERVVHKUOQEOSJ-JKIFEVAISA-N 2 2 382.472 0.641 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001576204340 950465210 /nfs/dbraw/zinc/46/52/10/950465210.db2.gz OERVVHKUOQEOSJ-JKIFEVAISA-N 2 2 382.472 0.641 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001576204931 950481639 /nfs/dbraw/zinc/48/16/39/950481639.db2.gz DQRFVSXJMQQLMT-XOUADPBQSA-N 2 2 382.472 0.402 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001576204931 950481658 /nfs/dbraw/zinc/48/16/58/950481658.db2.gz DQRFVSXJMQQLMT-XOUADPBQSA-N 2 2 382.472 0.402 20 0 GCADLP CC1CC[NH+](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)CC1 ZINC001576206086 950558210 /nfs/dbraw/zinc/55/82/10/950558210.db2.gz UJJIQCNTNIECJS-UHFFFAOYSA-N 2 2 384.488 0.866 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001576206653 950574588 /nfs/dbraw/zinc/57/45/88/950574588.db2.gz YPAZYVSJKDSAIU-AWEZNQCLSA-N 2 2 384.488 0.866 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001576206653 950574609 /nfs/dbraw/zinc/57/46/09/950574609.db2.gz YPAZYVSJKDSAIU-AWEZNQCLSA-N 2 2 384.488 0.866 20 0 GCADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081137 951720812 /nfs/dbraw/zinc/72/08/12/951720812.db2.gz OMPXOGLFVLJOBK-WBMJQRKESA-N 2 2 391.451 0.178 20 0 GCADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081137 951720818 /nfs/dbraw/zinc/72/08/18/951720818.db2.gz OMPXOGLFVLJOBK-WBMJQRKESA-N 2 2 391.451 0.178 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575092196 951791748 /nfs/dbraw/zinc/79/17/48/951791748.db2.gz YZPLKAKRLBXFST-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575092196 951791752 /nfs/dbraw/zinc/79/17/52/951791752.db2.gz YZPLKAKRLBXFST-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571146261 952648304 /nfs/dbraw/zinc/64/83/04/952648304.db2.gz FGLAPHUFENIGIW-JKSUJKDBSA-N 2 2 379.428 0.728 20 0 GCADLP Cc1cc(N[C@@H](C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188131 952912075 /nfs/dbraw/zinc/91/20/75/952912075.db2.gz GEVDIWWRNTUJRN-QWHCGFSZSA-N 2 2 381.444 0.607 20 0 GCADLP Cc1cc(N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188426 952914239 /nfs/dbraw/zinc/91/42/39/952914239.db2.gz KNQHLIJTVPROIL-OAHLLOKOSA-N 2 2 381.444 0.538 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571188482 952915376 /nfs/dbraw/zinc/91/53/76/952915376.db2.gz BRALIVGENCKNEW-CQSZACIVSA-N 2 2 381.444 0.942 20 0 GCADLP Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189501 952930293 /nfs/dbraw/zinc/93/02/93/952930293.db2.gz WETQWESMWSPAFD-TZMCWYRMSA-N 2 2 381.444 0.655 20 0 GCADLP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1CN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571216837 953104604 /nfs/dbraw/zinc/10/46/04/953104604.db2.gz ATQSEFFCYJNBNY-LIRRHRJNSA-N 2 2 382.472 0.833 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571240063 953245767 /nfs/dbraw/zinc/24/57/67/953245767.db2.gz YSBKURXIWJUWTN-WBMJQRKESA-N 2 2 384.419 0.982 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571240063 953245769 /nfs/dbraw/zinc/24/57/69/953245769.db2.gz YSBKURXIWJUWTN-WBMJQRKESA-N 2 2 384.419 0.982 20 0 GCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571251972 953322252 /nfs/dbraw/zinc/32/22/52/953322252.db2.gz DHTOCHCNIHLZHZ-VBQJREDUSA-N 2 2 384.488 0.865 20 0 GCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571251972 953322257 /nfs/dbraw/zinc/32/22/57/953322257.db2.gz DHTOCHCNIHLZHZ-VBQJREDUSA-N 2 2 384.488 0.865 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000653083043 530123671 /nfs/dbraw/zinc/12/36/71/530123671.db2.gz KYPUKRITIFPVLX-AWEZNQCLSA-N 2 2 385.306 0.964 20 0 GCADLP CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653087307 530124397 /nfs/dbraw/zinc/12/43/97/530124397.db2.gz RPLVLQSABUOPFZ-AWEZNQCLSA-N 2 2 390.575 0.716 20 0 GCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261631159 530128968 /nfs/dbraw/zinc/12/89/68/530128968.db2.gz BUXLVSYKNIWKRM-QGZVFWFLSA-N 2 2 397.317 0.903 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CCCC(=O)OC)CC2)CC1 ZINC000569357299 530228523 /nfs/dbraw/zinc/22/85/23/530228523.db2.gz FGGNUXWQMNFBEA-UHFFFAOYSA-N 2 2 375.535 0.761 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CCCC(=O)OC)CC2)CC1 ZINC000569357299 530228524 /nfs/dbraw/zinc/22/85/24/530228524.db2.gz FGGNUXWQMNFBEA-UHFFFAOYSA-N 2 2 375.535 0.761 20 0 GCADLP CN(C)c1cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH+]cc1Br ZINC000584302771 530247996 /nfs/dbraw/zinc/24/79/96/530247996.db2.gz NNWSNKCWCQGSPR-KOLCDFICSA-N 2 2 397.277 0.686 20 0 GCADLP C[NH+](C)[C@@]1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCSC1 ZINC000531128491 530282080 /nfs/dbraw/zinc/28/20/80/530282080.db2.gz RFCHBJYWIGZUCI-SJORKVTESA-N 2 2 388.603 0.931 20 0 GCADLP C[N@@H+]1CCN(C(=O)Nc2ccncc2I)[C@H](C[NH3+])C1 ZINC000562756416 530295494 /nfs/dbraw/zinc/29/54/94/530295494.db2.gz UQMDMVZDLYKTFM-SECBINFHSA-N 2 2 375.214 0.215 20 0 GCADLP C[N@H+]1CCN(C(=O)Nc2ccncc2I)[C@H](C[NH3+])C1 ZINC000562756416 530295496 /nfs/dbraw/zinc/29/54/96/530295496.db2.gz UQMDMVZDLYKTFM-SECBINFHSA-N 2 2 375.214 0.215 20 0 GCADLP C[C@@H](CC[NH+](C)C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000580305660 530353849 /nfs/dbraw/zinc/35/38/49/530353849.db2.gz OSZPQHUJZJOQKL-AWEZNQCLSA-N 2 2 391.559 0.640 20 0 GCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(Br)cc1 ZINC000594874640 530443043 /nfs/dbraw/zinc/44/30/43/530443043.db2.gz LIWJEHQZBSTTIH-TUKIKUTGSA-N 2 2 395.301 0.870 20 0 GCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(Br)cc1 ZINC000594874640 530443044 /nfs/dbraw/zinc/44/30/44/530443044.db2.gz LIWJEHQZBSTTIH-TUKIKUTGSA-N 2 2 395.301 0.870 20 0 GCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000534718156 530496460 /nfs/dbraw/zinc/49/64/60/530496460.db2.gz VMZNOQAVGAPDOK-UHFFFAOYSA-N 2 2 377.555 0.030 20 0 GCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])c1 ZINC000563152663 530496451 /nfs/dbraw/zinc/49/64/51/530496451.db2.gz VAYVENLUNZZMOX-SCDSUCTJSA-N 2 2 386.905 0.985 20 0 GCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])c1 ZINC000563152663 530496453 /nfs/dbraw/zinc/49/64/53/530496453.db2.gz VAYVENLUNZZMOX-SCDSUCTJSA-N 2 2 386.905 0.985 20 0 GCADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000568993460 530565665 /nfs/dbraw/zinc/56/56/65/530565665.db2.gz MRLLTXSGMMXZIJ-OAHLLOKOSA-N 2 2 375.922 0.971 20 0 GCADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000568993460 530565668 /nfs/dbraw/zinc/56/56/68/530565668.db2.gz MRLLTXSGMMXZIJ-OAHLLOKOSA-N 2 2 375.922 0.971 20 0 GCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)CCOCC[NH3+])ccc1Cl ZINC000629575149 530579995 /nfs/dbraw/zinc/57/99/95/530579995.db2.gz MAJIXLIIJXOZPK-UHFFFAOYSA-N 2 2 392.909 0.436 20 0 GCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+](C)CCOCC[NH3+])ccc1Cl ZINC000629575149 530579998 /nfs/dbraw/zinc/57/99/98/530579998.db2.gz MAJIXLIIJXOZPK-UHFFFAOYSA-N 2 2 392.909 0.436 20 0 GCADLP C[N@@H+]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@H](C[NH3+])C1 ZINC000577951443 530634043 /nfs/dbraw/zinc/63/40/43/530634043.db2.gz SYUCEHJFSDGTRE-GFCCVEGCSA-N 2 2 394.273 0.260 20 0 GCADLP C[N@H+]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@H](C[NH3+])C1 ZINC000577951443 530634044 /nfs/dbraw/zinc/63/40/44/530634044.db2.gz SYUCEHJFSDGTRE-GFCCVEGCSA-N 2 2 394.273 0.260 20 0 GCADLP CCCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577171729 530617298 /nfs/dbraw/zinc/61/72/98/530617298.db2.gz BARVPEWHELWZLE-HLLBOEOZSA-N 2 2 377.551 0.250 20 0 GCADLP CCCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577171729 530617301 /nfs/dbraw/zinc/61/73/01/530617301.db2.gz BARVPEWHELWZLE-HLLBOEOZSA-N 2 2 377.551 0.250 20 0 GCADLP CCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000461865927 530645615 /nfs/dbraw/zinc/64/56/15/530645615.db2.gz OREYFOJNEZEEFM-ZBFHGGJFSA-N 2 2 375.535 0.111 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463421574 530658412 /nfs/dbraw/zinc/65/84/12/530658412.db2.gz KTGCMIBFNAIVOX-KRWDZBQOSA-N 2 2 377.551 0.471 20 0 GCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464787458 530663712 /nfs/dbraw/zinc/66/37/12/530663712.db2.gz AXPJPHVXXHQCLO-MRXNPFEDSA-N 2 2 376.567 0.436 20 0 GCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464787458 530663714 /nfs/dbraw/zinc/66/37/14/530663714.db2.gz AXPJPHVXXHQCLO-MRXNPFEDSA-N 2 2 376.567 0.436 20 0 GCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464787458 530663717 /nfs/dbraw/zinc/66/37/17/530663717.db2.gz AXPJPHVXXHQCLO-MRXNPFEDSA-N 2 2 376.567 0.436 20 0 GCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464787458 530663720 /nfs/dbraw/zinc/66/37/20/530663720.db2.gz AXPJPHVXXHQCLO-MRXNPFEDSA-N 2 2 376.567 0.436 20 0 GCADLP O=S(=O)(CCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1)Nc1c[nH+]c[nH]1 ZINC000515432734 530846709 /nfs/dbraw/zinc/84/67/09/530846709.db2.gz KBRJSBZNEJAVDV-UHFFFAOYSA-N 2 2 391.519 0.041 20 0 GCADLP CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653063103 530862750 /nfs/dbraw/zinc/86/27/50/530862750.db2.gz XFPFYHLPOJRIJS-CYBMUJFWSA-N 2 2 376.548 0.674 20 0 GCADLP CC(C)S(=O)(=O)N1CCC([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584405789 530869831 /nfs/dbraw/zinc/86/98/31/530869831.db2.gz AOGQSHHFAFHKMW-UXLLHSPISA-N 2 2 377.551 0.249 20 0 GCADLP CC(C)S(=O)(=O)N1CCC([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584405789 530869836 /nfs/dbraw/zinc/86/98/36/530869836.db2.gz AOGQSHHFAFHKMW-UXLLHSPISA-N 2 2 377.551 0.249 20 0 GCADLP COCn1nc(C)c(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000657071140 530872557 /nfs/dbraw/zinc/87/25/57/530872557.db2.gz GYMIJKHPSUTHSO-ZDUSSCGKSA-N 2 2 375.539 0.654 20 0 GCADLP COCn1nc(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000657071140 530872560 /nfs/dbraw/zinc/87/25/60/530872560.db2.gz GYMIJKHPSUTHSO-ZDUSSCGKSA-N 2 2 375.539 0.654 20 0 GCADLP O=C1C[C@H]([NH2+]Cc2ccncc2Br)CN1CC[NH+]1CCOCC1 ZINC000631076755 530921611 /nfs/dbraw/zinc/92/16/11/530921611.db2.gz QUJKQDFKCVVPMC-AWEZNQCLSA-N 2 2 383.290 0.867 20 0 GCADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419982022 530964516 /nfs/dbraw/zinc/96/45/16/530964516.db2.gz AVTBKHYWKOJDGK-ZWNOBZJWSA-N 2 2 394.273 0.957 20 0 GCADLP C[NH+](C)Cc1cnc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)s1 ZINC000512068845 530941459 /nfs/dbraw/zinc/94/14/59/530941459.db2.gz SZXJHPZYDFUGQR-ZDUSSCGKSA-N 2 2 376.548 0.783 20 0 GCADLP CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCC[NH+](C)C ZINC000631682390 530945892 /nfs/dbraw/zinc/94/58/92/530945892.db2.gz FCAVEUNWHDQHIP-OAHLLOKOSA-N 2 2 383.580 0.099 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000513970777 530952694 /nfs/dbraw/zinc/95/26/94/530952694.db2.gz XJYWOQLWQOFANE-HNNXBMFYSA-N 2 2 380.505 0.922 20 0 GCADLP [NH3+]C1(CNS(=O)(=O)NCC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000420472577 530968854 /nfs/dbraw/zinc/96/88/54/530968854.db2.gz SOYNNQMXHPZLQF-UHFFFAOYSA-N 2 2 380.436 0.966 20 0 GCADLP O=S(=O)(CCC[NH+]1CCCC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000632439074 530970429 /nfs/dbraw/zinc/97/04/29/530970429.db2.gz KSUQYTGRYZHLLV-UHFFFAOYSA-N 2 2 375.535 0.273 20 0 GCADLP C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000162588420 531006127 /nfs/dbraw/zinc/00/61/27/531006127.db2.gz FFLKJTKWTOHVMN-CQSZACIVSA-N 2 2 383.290 0.670 20 0 GCADLP C[N@H+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000162588420 531006130 /nfs/dbraw/zinc/00/61/30/531006130.db2.gz FFLKJTKWTOHVMN-CQSZACIVSA-N 2 2 383.290 0.670 20 0 GCADLP O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(F)cc1F ZINC000423099252 531016738 /nfs/dbraw/zinc/01/67/38/531016738.db2.gz LUTZIFFEBRVPRG-GDBMZVCRSA-N 2 2 375.441 0.600 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCC(=O)Nc1ccccc1Br ZINC000662285644 531019858 /nfs/dbraw/zinc/01/98/58/531019858.db2.gz JXGAJWYSAIUCLG-UHFFFAOYSA-N 2 2 399.289 0.208 20 0 GCADLP [NH3+][C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccccc1Br ZINC000662552071 531021734 /nfs/dbraw/zinc/02/17/34/531021734.db2.gz BQVGGRFVCHJYFW-BLLLJJGKSA-N 2 2 395.301 0.872 20 0 GCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662526410 531022055 /nfs/dbraw/zinc/02/20/55/531022055.db2.gz YBYWXNJHXKZDGB-OAHLLOKOSA-N 2 2 383.290 0.729 20 0 GCADLP CS[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@@H]1[NH+]1CCCC1 ZINC000614987226 531088744 /nfs/dbraw/zinc/08/87/44/531088744.db2.gz JDKZRAZERSPMIF-JKSUJKDBSA-N 2 2 377.576 0.550 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000546622985 531093074 /nfs/dbraw/zinc/09/30/74/531093074.db2.gz XSFKLOWJTACRRA-ZBFHGGJFSA-N 2 2 375.535 0.712 20 0 GCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000430561087 531113433 /nfs/dbraw/zinc/11/34/33/531113433.db2.gz YZOIBQMDIMECGM-PBHICJAKSA-N 2 2 385.555 0.981 20 0 GCADLP CNS(=O)(=O)c1csc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673991399 531120492 /nfs/dbraw/zinc/12/04/92/531120492.db2.gz MBRSKBMWKMNVHK-LBPRGKRZSA-N 2 2 386.543 0.555 20 0 GCADLP CNS(=O)(=O)c1csc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673991399 531120495 /nfs/dbraw/zinc/12/04/95/531120495.db2.gz MBRSKBMWKMNVHK-LBPRGKRZSA-N 2 2 386.543 0.555 20 0 GCADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565433033 531185353 /nfs/dbraw/zinc/18/53/53/531185353.db2.gz PVKZWJUBCVBGBB-STQMWFEESA-N 2 2 391.519 0.040 20 0 GCADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565433033 531185355 /nfs/dbraw/zinc/18/53/55/531185355.db2.gz PVKZWJUBCVBGBB-STQMWFEESA-N 2 2 391.519 0.040 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000565770431 531190266 /nfs/dbraw/zinc/19/02/66/531190266.db2.gz UTKAFCLHOYDBQA-AWEZNQCLSA-N 2 2 389.543 0.145 20 0 GCADLP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC(F)(F)F ZINC000442983434 531193257 /nfs/dbraw/zinc/19/32/57/531193257.db2.gz NHRDUTBORSCCNW-UHFFFAOYSA-N 2 2 381.424 0.580 20 0 GCADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000737745380 599073917 /nfs/dbraw/zinc/07/39/17/599073917.db2.gz XOUYZSAXKVLYBH-QGZVFWFLSA-N 2 2 385.472 0.437 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735835528 598518118 /nfs/dbraw/zinc/51/81/18/598518118.db2.gz JRKZAJUOMKBVMF-KGLIPLIRSA-N 2 2 375.481 0.051 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735835528 598518120 /nfs/dbraw/zinc/51/81/20/598518120.db2.gz JRKZAJUOMKBVMF-KGLIPLIRSA-N 2 2 375.481 0.051 20 0 GCADLP CN(C(=O)COc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736852981 598743593 /nfs/dbraw/zinc/74/35/93/598743593.db2.gz UQWXBWIPZSAZDR-INIZCTEOSA-N 2 2 399.499 0.872 20 0 GCADLP CN(C(=O)COc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736852981 598743595 /nfs/dbraw/zinc/74/35/95/598743595.db2.gz UQWXBWIPZSAZDR-INIZCTEOSA-N 2 2 399.499 0.872 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736852098 598769454 /nfs/dbraw/zinc/76/94/54/598769454.db2.gz NJYSZIYHMZIVFA-HNNXBMFYSA-N 2 2 385.472 0.530 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736852098 598769456 /nfs/dbraw/zinc/76/94/56/598769456.db2.gz NJYSZIYHMZIVFA-HNNXBMFYSA-N 2 2 385.472 0.530 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736868979 599318369 /nfs/dbraw/zinc/31/83/69/599318369.db2.gz XUKTXUGQYAEMCA-QGZVFWFLSA-N 2 2 385.472 0.232 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736868979 599318372 /nfs/dbraw/zinc/31/83/72/599318372.db2.gz XUKTXUGQYAEMCA-QGZVFWFLSA-N 2 2 385.472 0.232 20 0 GCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736868979 599318375 /nfs/dbraw/zinc/31/83/75/599318375.db2.gz XUKTXUGQYAEMCA-QGZVFWFLSA-N 2 2 385.472 0.232 20 0 GCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736868979 599318379 /nfs/dbraw/zinc/31/83/79/599318379.db2.gz XUKTXUGQYAEMCA-QGZVFWFLSA-N 2 2 385.472 0.232 20 0 GCADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000823796717 599556016 /nfs/dbraw/zinc/55/60/16/599556016.db2.gz FDPHXCHHZBHXKM-AWEZNQCLSA-N 2 2 381.440 0.952 20 0 GCADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000822739840 607482513 /nfs/dbraw/zinc/48/25/13/607482513.db2.gz DDCDPMWOUNKMAH-INIZCTEOSA-N 2 2 375.452 0.502 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822996836 606859689 /nfs/dbraw/zinc/85/96/89/606859689.db2.gz JXOIMNRGPZXACU-QGZVFWFLSA-N 2 2 385.472 0.140 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000821623236 607074000 /nfs/dbraw/zinc/07/40/00/607074000.db2.gz HAPQDUKNZLXXRE-MRXNPFEDSA-N 2 2 385.472 0.484 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000821623236 607074002 /nfs/dbraw/zinc/07/40/02/607074002.db2.gz HAPQDUKNZLXXRE-MRXNPFEDSA-N 2 2 385.472 0.484 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000750734325 640366802 /nfs/dbraw/zinc/36/68/02/640366802.db2.gz CUDGEQXEPUZCEH-JKSUJKDBSA-N 2 2 391.603 0.781 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000750734325 640366809 /nfs/dbraw/zinc/36/68/09/640366809.db2.gz CUDGEQXEPUZCEH-JKSUJKDBSA-N 2 2 391.603 0.781 20 0 GCADLP CN(C(=O)C1SCCS1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000761154054 640588111 /nfs/dbraw/zinc/58/81/11/640588111.db2.gz AIHYTGPNGNXOOK-UHFFFAOYSA-N 2 2 386.587 0.489 20 0 GCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764587487 640650209 /nfs/dbraw/zinc/65/02/09/640650209.db2.gz XIZAAPJVRWYVFQ-CYBMUJFWSA-N 2 2 386.499 0.960 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000775154877 641067526 /nfs/dbraw/zinc/06/75/26/641067526.db2.gz UJQZDVSFUZPOHR-NEPJUHHUSA-N 2 2 377.316 0.581 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000775154877 641067532 /nfs/dbraw/zinc/06/75/32/641067532.db2.gz UJQZDVSFUZPOHR-NEPJUHHUSA-N 2 2 377.316 0.581 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775172645 641070611 /nfs/dbraw/zinc/07/06/11/641070611.db2.gz LPKNLXFMVYMNJQ-LBPRGKRZSA-N 2 2 379.332 0.781 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775172645 641070615 /nfs/dbraw/zinc/07/06/15/641070615.db2.gz LPKNLXFMVYMNJQ-LBPRGKRZSA-N 2 2 379.332 0.781 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866732011 641319963 /nfs/dbraw/zinc/31/99/63/641319963.db2.gz XAQJPKREGBSAPR-QHCPKHFHSA-N 2 2 376.548 0.813 20 0 GCADLP O=S(=O)(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CC[NH2+]CC1 ZINC000923631998 641455475 /nfs/dbraw/zinc/45/54/75/641455475.db2.gz WNJQAGGCUJCKMU-UHFFFAOYSA-N 2 2 387.937 0.202 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876725478 641569160 /nfs/dbraw/zinc/56/91/60/641569160.db2.gz JXTJVRZRABTGHY-HNNXBMFYSA-N 2 2 383.290 0.776 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884190691 641777424 /nfs/dbraw/zinc/77/74/24/641777424.db2.gz KBAJUOJUOONKNT-OAHLLOKOSA-N 2 2 383.290 0.776 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884188307 641777464 /nfs/dbraw/zinc/77/74/64/641777464.db2.gz DQDXZMFARQQZKM-HNNXBMFYSA-N 2 2 383.290 0.729 20 0 GCADLP [NH3+][C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(Br)cc1 ZINC000884252825 641780144 /nfs/dbraw/zinc/78/01/44/641780144.db2.gz TZUVLZLYCAFGAL-GOEBONIOSA-N 2 2 395.301 0.872 20 0 GCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(-c2csc(CS(C)(=O)=O)n2)nn1 ZINC000887480501 641858799 /nfs/dbraw/zinc/85/87/99/641858799.db2.gz BFRUXXGNAGGKBO-UHFFFAOYSA-N 2 2 386.547 0.830 20 0 GCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(-c2csc(CS(C)(=O)=O)n2)nn1 ZINC000887480501 641858805 /nfs/dbraw/zinc/85/88/05/641858805.db2.gz BFRUXXGNAGGKBO-UHFFFAOYSA-N 2 2 386.547 0.830 20 0 GCADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959857 641892934 /nfs/dbraw/zinc/89/29/34/641892934.db2.gz JSBKQSPCFIOUEZ-NHYWBVRUSA-N 2 2 375.516 0.800 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCC[C@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000246213993 642061223 /nfs/dbraw/zinc/06/12/23/642061223.db2.gz FDKCSDIHZASHDA-USTZCAOPSA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@H]1CCC[C@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000246213993 642061231 /nfs/dbraw/zinc/06/12/31/642061231.db2.gz FDKCSDIHZASHDA-USTZCAOPSA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@H]1CCC[C@H]1O ZINC000246213993 642061236 /nfs/dbraw/zinc/06/12/36/642061236.db2.gz FDKCSDIHZASHDA-USTZCAOPSA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@H]1CCC[C@H]1O ZINC000246213993 642061244 /nfs/dbraw/zinc/06/12/44/642061244.db2.gz FDKCSDIHZASHDA-USTZCAOPSA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000246213983 642061316 /nfs/dbraw/zinc/06/13/16/642061316.db2.gz FDKCSDIHZASHDA-MHORFTMASA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000246213983 642061320 /nfs/dbraw/zinc/06/13/20/642061320.db2.gz FDKCSDIHZASHDA-MHORFTMASA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@H]1CCC[C@@H]1O ZINC000246213983 642061327 /nfs/dbraw/zinc/06/13/27/642061327.db2.gz FDKCSDIHZASHDA-MHORFTMASA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@H]1CCC[C@@H]1O ZINC000246213983 642061333 /nfs/dbraw/zinc/06/13/33/642061333.db2.gz FDKCSDIHZASHDA-MHORFTMASA-N 2 2 376.563 0.587 20 0 GCADLP COCCCS(=O)(=O)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903756330 642203501 /nfs/dbraw/zinc/20/35/01/642203501.db2.gz QCUOAMCYVMVQKT-MRXNPFEDSA-N 2 2 375.535 0.129 20 0 GCADLP COCCCS(=O)(=O)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903756329 642203583 /nfs/dbraw/zinc/20/35/83/642203583.db2.gz QCUOAMCYVMVQKT-INIZCTEOSA-N 2 2 375.535 0.129 20 0 GCADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000661715510 1192166219 /nfs/dbraw/zinc/16/62/19/1192166219.db2.gz ZJTDGFDJLMQHPZ-UHFFFAOYSA-N 2 2 396.557 0.553 20 0 GCADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000661715510 1192166223 /nfs/dbraw/zinc/16/62/23/1192166223.db2.gz ZJTDGFDJLMQHPZ-UHFFFAOYSA-N 2 2 396.557 0.553 20 0 GCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000025525343 1192198573 /nfs/dbraw/zinc/19/85/73/1192198573.db2.gz BSKVLVNHEIYREX-INIZCTEOSA-N 2 2 388.512 0.721 20 0 GCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211676965 1192203422 /nfs/dbraw/zinc/20/34/22/1192203422.db2.gz XGDJXEUAHILPJS-ZJPYXAASSA-N 2 2 381.480 0.854 20 0 GCADLP CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370546 1192205764 /nfs/dbraw/zinc/20/57/64/1192205764.db2.gz CAEFKLKETLMXID-HOTGVXAUSA-N 2 2 380.537 0.600 20 0 GCADLP CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370546 1192205768 /nfs/dbraw/zinc/20/57/68/1192205768.db2.gz CAEFKLKETLMXID-HOTGVXAUSA-N 2 2 380.537 0.600 20 0 GCADLP CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370547 1192205990 /nfs/dbraw/zinc/20/59/90/1192205990.db2.gz CAEFKLKETLMXID-HZPDHXFCSA-N 2 2 380.537 0.600 20 0 GCADLP CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370547 1192205993 /nfs/dbraw/zinc/20/59/93/1192205993.db2.gz CAEFKLKETLMXID-HZPDHXFCSA-N 2 2 380.537 0.600 20 0 GCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000909397662 1192227162 /nfs/dbraw/zinc/22/71/62/1192227162.db2.gz ZMFMINPXTOHUGS-QGZVFWFLSA-N 2 2 382.549 0.794 20 0 GCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000909397662 1192227165 /nfs/dbraw/zinc/22/71/65/1192227165.db2.gz ZMFMINPXTOHUGS-QGZVFWFLSA-N 2 2 382.549 0.794 20 0 GCADLP Cn1c[nH+]cc1CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000462169041 1192229840 /nfs/dbraw/zinc/22/98/40/1192229840.db2.gz YUBPMYASLNKONL-UHFFFAOYSA-N 2 2 376.505 0.944 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152693 1192248300 /nfs/dbraw/zinc/24/83/00/1192248300.db2.gz XRKXTABXPRSPPR-MJGOQNOKSA-N 2 2 387.528 0.650 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152693 1192248304 /nfs/dbraw/zinc/24/83/04/1192248304.db2.gz XRKXTABXPRSPPR-MJGOQNOKSA-N 2 2 387.528 0.650 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)c2)CC1 ZINC000652628682 1192260000 /nfs/dbraw/zinc/26/00/00/1192260000.db2.gz JLVLKAHKIFIINJ-AVRDEDQJSA-N 2 2 399.539 0.960 20 0 GCADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000663303438 1192275932 /nfs/dbraw/zinc/27/59/32/1192275932.db2.gz GELVUMAYRONXMY-SJLPKXTDSA-N 2 2 388.516 0.357 20 0 GCADLP Cc1ncc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000636707038 1192274287 /nfs/dbraw/zinc/27/42/87/1192274287.db2.gz IYICUOBIUPSUMB-GXTWGEPZSA-N 2 2 379.530 0.913 20 0 GCADLP Cc1ncc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000636707038 1192274292 /nfs/dbraw/zinc/27/42/92/1192274292.db2.gz IYICUOBIUPSUMB-GXTWGEPZSA-N 2 2 379.530 0.913 20 0 GCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000663303439 1192275811 /nfs/dbraw/zinc/27/58/11/1192275811.db2.gz GELVUMAYRONXMY-WMZOPIPTSA-N 2 2 388.516 0.357 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000662285877 1192276836 /nfs/dbraw/zinc/27/68/36/1192276836.db2.gz KMXLQWYAELJHHL-INIZCTEOSA-N 2 2 387.546 0.039 20 0 GCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n(C)n1 ZINC000662337360 1192285461 /nfs/dbraw/zinc/28/54/61/1192285461.db2.gz LMVSMIGGQOLMHJ-OAHLLOKOSA-N 2 2 386.504 0.679 20 0 GCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n(C)n1 ZINC000662337360 1192285466 /nfs/dbraw/zinc/28/54/66/1192285466.db2.gz LMVSMIGGQOLMHJ-OAHLLOKOSA-N 2 2 386.504 0.679 20 0 GCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662682240 1192327169 /nfs/dbraw/zinc/32/71/69/1192327169.db2.gz OYIPMLAAYNDSFI-MRXNPFEDSA-N 2 2 395.529 0.038 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000663546533 1192383208 /nfs/dbraw/zinc/38/32/08/1192383208.db2.gz NVXWHKIQPMYCBP-SJORKVTESA-N 2 2 390.532 0.742 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000663546533 1192383213 /nfs/dbraw/zinc/38/32/13/1192383213.db2.gz NVXWHKIQPMYCBP-SJORKVTESA-N 2 2 390.532 0.742 20 0 GCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663558328 1192388153 /nfs/dbraw/zinc/38/81/53/1192388153.db2.gz OYRWOBHIQCBUKS-SFHVURJKSA-N 2 2 381.565 0.909 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663611666 1192417315 /nfs/dbraw/zinc/41/73/15/1192417315.db2.gz MATJHQFUWGTCSK-FQEVSTJZSA-N 2 2 387.484 0.157 20 0 GCADLP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000279085197 1192461225 /nfs/dbraw/zinc/46/12/25/1192461225.db2.gz VPPGLOUEFNLVKT-IRXDYDNUSA-N 2 2 399.495 0.684 20 0 GCADLP C[C@H](C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)N1CC[NH+](C)CC1 ZINC000512154862 1192476468 /nfs/dbraw/zinc/47/64/68/1192476468.db2.gz FFHWOKSNXFMINC-OAHLLOKOSA-N 2 2 380.455 0.736 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000418755505 1192639808 /nfs/dbraw/zinc/63/98/08/1192639808.db2.gz BVRLFNKZHYVWGR-SFHVURJKSA-N 2 2 378.473 0.390 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418765350 1192640402 /nfs/dbraw/zinc/64/04/02/1192640402.db2.gz OQTHRBUMTOSLHD-QUCCMNQESA-N 2 2 389.544 0.823 20 0 GCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418802373 1192648797 /nfs/dbraw/zinc/64/87/97/1192648797.db2.gz KERRZAVRTKEVMP-UHFFFAOYSA-N 2 2 376.448 0.096 20 0 GCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824914 1192656523 /nfs/dbraw/zinc/65/65/23/1192656523.db2.gz DOSPHJJEYKWVEH-OALUTQOASA-N 2 2 390.528 0.835 20 0 GCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824914 1192656525 /nfs/dbraw/zinc/65/65/25/1192656525.db2.gz DOSPHJJEYKWVEH-OALUTQOASA-N 2 2 390.528 0.835 20 0 GCADLP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827843 1192657406 /nfs/dbraw/zinc/65/74/06/1192657406.db2.gz HIMPOOJYKUDHNQ-PMACEKPBSA-N 2 2 396.491 0.820 20 0 GCADLP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827843 1192657408 /nfs/dbraw/zinc/65/74/08/1192657408.db2.gz HIMPOOJYKUDHNQ-PMACEKPBSA-N 2 2 396.491 0.820 20 0 GCADLP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000418827794 1192657531 /nfs/dbraw/zinc/65/75/31/1192657531.db2.gz HCCPXAYFFQWBBZ-RBUKOAKNSA-N 2 2 388.512 0.604 20 0 GCADLP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000418827794 1192657539 /nfs/dbraw/zinc/65/75/39/1192657539.db2.gz HCCPXAYFFQWBBZ-RBUKOAKNSA-N 2 2 388.512 0.604 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418836555 1192658229 /nfs/dbraw/zinc/65/82/29/1192658229.db2.gz RLPBGKOZENGDBS-QYZOEREBSA-N 2 2 386.496 0.357 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418836555 1192658233 /nfs/dbraw/zinc/65/82/33/1192658233.db2.gz RLPBGKOZENGDBS-QYZOEREBSA-N 2 2 386.496 0.357 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418830979 1192658800 /nfs/dbraw/zinc/65/88/00/1192658800.db2.gz KAZORMPVURGKHG-ZWKOTPCHSA-N 2 2 376.501 0.493 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418830979 1192658802 /nfs/dbraw/zinc/65/88/02/1192658802.db2.gz KAZORMPVURGKHG-ZWKOTPCHSA-N 2 2 376.501 0.493 20 0 GCADLP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000418835147 1192660710 /nfs/dbraw/zinc/66/07/10/1192660710.db2.gz PNFMHRSUSBZYHH-WIYYLYMNSA-N 2 2 388.512 0.510 20 0 GCADLP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000418835147 1192660711 /nfs/dbraw/zinc/66/07/11/1192660711.db2.gz PNFMHRSUSBZYHH-WIYYLYMNSA-N 2 2 388.512 0.510 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418837702 1192661972 /nfs/dbraw/zinc/66/19/72/1192661972.db2.gz UDIFPPGTGFRNTH-GBESFXJTSA-N 2 2 386.496 0.072 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418837702 1192661975 /nfs/dbraw/zinc/66/19/75/1192661975.db2.gz UDIFPPGTGFRNTH-GBESFXJTSA-N 2 2 386.496 0.072 20 0 GCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418903555 1192685160 /nfs/dbraw/zinc/68/51/60/1192685160.db2.gz BNUPXHOJPBNGLC-AEFFLSMTSA-N 2 2 388.512 0.721 20 0 GCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418908307 1192686380 /nfs/dbraw/zinc/68/63/80/1192686380.db2.gz HOKONKZFNBOQQW-QGZVFWFLSA-N 2 2 388.512 0.722 20 0 GCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)cc(OC)c1 ZINC000418965420 1192703863 /nfs/dbraw/zinc/70/38/63/1192703863.db2.gz OWJRUPNCBPPWFI-HOCLYGCPSA-N 2 2 390.484 0.215 20 0 GCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)cc(OC)c1 ZINC000418965420 1192703867 /nfs/dbraw/zinc/70/38/67/1192703867.db2.gz OWJRUPNCBPPWFI-HOCLYGCPSA-N 2 2 390.484 0.215 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237675384 1192757779 /nfs/dbraw/zinc/75/77/79/1192757779.db2.gz KFGRRJZLLZWBEZ-MRXNPFEDSA-N 2 2 398.515 0.538 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237953983 1192773667 /nfs/dbraw/zinc/77/36/67/1192773667.db2.gz YCOHZBDWKMQIBY-GOSISDBHSA-N 2 2 384.484 0.833 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237953983 1192773672 /nfs/dbraw/zinc/77/36/72/1192773672.db2.gz YCOHZBDWKMQIBY-GOSISDBHSA-N 2 2 384.484 0.833 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000410632889 1192776754 /nfs/dbraw/zinc/77/67/54/1192776754.db2.gz RCMOTGMODWOAPF-FGTMMUONSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000410632889 1192776755 /nfs/dbraw/zinc/77/67/55/1192776755.db2.gz RCMOTGMODWOAPF-FGTMMUONSA-N 2 2 380.533 0.498 20 0 GCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238041537 1192778108 /nfs/dbraw/zinc/77/81/08/1192778108.db2.gz BPHNGRWTAKRIGC-IBGZPJMESA-N 2 2 380.496 0.819 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419100062 1192785707 /nfs/dbraw/zinc/78/57/07/1192785707.db2.gz FRRNVFVAQBHUGE-UHFFFAOYSA-N 2 2 395.935 0.694 20 0 GCADLP [NH3+][C@@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000419102675 1192787083 /nfs/dbraw/zinc/78/70/83/1192787083.db2.gz IWKHIUPCWRFTHX-KRWDZBQOSA-N 2 2 393.919 0.432 20 0 GCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419106041 1192788547 /nfs/dbraw/zinc/78/85/47/1192788547.db2.gz NEQGMTNMUZSMPF-OAHLLOKOSA-N 2 2 379.892 0.056 20 0 GCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000419106017 1192788564 /nfs/dbraw/zinc/78/85/64/1192788564.db2.gz NDISCTJSHQMANH-UHFFFAOYSA-N 2 2 393.919 0.446 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419107682 1192789874 /nfs/dbraw/zinc/78/98/74/1192789874.db2.gz PNFWIXPZQHTVTR-QGZVFWFLSA-N 2 2 395.935 0.678 20 0 GCADLP Cc1c(N2CCN(c3[nH]cc[nH+]3)CC2)ncnc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000663844336 1192791933 /nfs/dbraw/zinc/79/19/33/1192791933.db2.gz JXHDOPCBHFZWIU-UHFFFAOYSA-N 2 2 394.487 0.884 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCC1 ZINC000419121115 1192794438 /nfs/dbraw/zinc/79/44/38/1192794438.db2.gz ACEIBPFLRRXPRK-UHFFFAOYSA-N 2 2 390.484 0.011 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000419122759 1192795331 /nfs/dbraw/zinc/79/53/31/1192795331.db2.gz ULVSFBDJGHEUON-RTBURBONSA-N 2 2 394.560 0.840 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000419124494 1192795922 /nfs/dbraw/zinc/79/59/22/1192795922.db2.gz XKAVLUKVFVLDQG-MSOLQXFVSA-N 2 2 376.501 0.666 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000419112759 1192799523 /nfs/dbraw/zinc/79/95/23/1192799523.db2.gz VNMFZNDEMLUBCP-KRWDZBQOSA-N 2 2 393.919 0.432 20 0 GCADLP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000419117625 1192802899 /nfs/dbraw/zinc/80/28/99/1192802899.db2.gz MOEUTXOWFGZKGN-GOSISDBHSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419139045 1192811680 /nfs/dbraw/zinc/81/16/80/1192811680.db2.gz UCRBLOTVYGTTBO-IAGOWNOFSA-N 2 2 390.532 0.198 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000549788633 1192883038 /nfs/dbraw/zinc/88/30/38/1192883038.db2.gz NAIAZMUEFCJYAZ-SQNIBIBYSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000549788633 1192883041 /nfs/dbraw/zinc/88/30/41/1192883041.db2.gz NAIAZMUEFCJYAZ-SQNIBIBYSA-N 2 2 380.533 0.545 20 0 GCADLP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894019153 1192892384 /nfs/dbraw/zinc/89/23/84/1192892384.db2.gz SSEVLBLMLOJMSY-HOCLYGCPSA-N 2 2 377.489 0.374 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410843519 1192907842 /nfs/dbraw/zinc/90/78/42/1192907842.db2.gz NLGMECPPAOXQGT-SFHVURJKSA-N 2 2 394.560 0.746 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410843519 1192907844 /nfs/dbraw/zinc/90/78/44/1192907844.db2.gz NLGMECPPAOXQGT-SFHVURJKSA-N 2 2 394.560 0.746 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410843519 1192907845 /nfs/dbraw/zinc/90/78/45/1192907845.db2.gz NLGMECPPAOXQGT-SFHVURJKSA-N 2 2 394.560 0.746 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410843519 1192907847 /nfs/dbraw/zinc/90/78/47/1192907847.db2.gz NLGMECPPAOXQGT-SFHVURJKSA-N 2 2 394.560 0.746 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000410937823 1192917619 /nfs/dbraw/zinc/91/76/19/1192917619.db2.gz MBRATRCTGNJPTN-HZPDHXFCSA-N 2 2 382.505 0.025 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000410937823 1192917620 /nfs/dbraw/zinc/91/76/20/1192917620.db2.gz MBRATRCTGNJPTN-HZPDHXFCSA-N 2 2 382.505 0.025 20 0 GCADLP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000274544904 1184093255 /nfs/dbraw/zinc/09/32/55/1184093255.db2.gz DACIYJYNGOQMJF-UHFFFAOYSA-N 2 2 391.516 0.703 20 0 GCADLP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000274544904 1184093259 /nfs/dbraw/zinc/09/32/59/1184093259.db2.gz DACIYJYNGOQMJF-UHFFFAOYSA-N 2 2 391.516 0.703 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)CC1 ZINC000683083784 1184098802 /nfs/dbraw/zinc/09/88/02/1184098802.db2.gz XOXFCGDUQTZQKD-LBPRGKRZSA-N 2 2 377.411 0.529 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)CC1 ZINC000683083784 1184098811 /nfs/dbraw/zinc/09/88/11/1184098811.db2.gz XOXFCGDUQTZQKD-LBPRGKRZSA-N 2 2 377.411 0.529 20 0 GCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000579715753 1184103885 /nfs/dbraw/zinc/10/38/85/1184103885.db2.gz DCRKLJXVCRSFQN-QGZVFWFLSA-N 3 2 390.528 0.309 20 0 GCADLP CNS(=O)(=O)C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274579602 1184109361 /nfs/dbraw/zinc/10/93/61/1184109361.db2.gz HFHAMBFAJLEQNJ-QGZVFWFLSA-N 2 2 382.530 0.419 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1)c1ccccc1 ZINC000274584014 1184110866 /nfs/dbraw/zinc/11/08/66/1184110866.db2.gz IDVGQAUYDPLIJN-KRWDZBQOSA-N 2 2 382.530 0.406 20 0 GCADLP C[NH+](C)CCn1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000579728829 1184115900 /nfs/dbraw/zinc/11/59/00/1184115900.db2.gz HKXRBNVRFVFPCI-UHFFFAOYSA-N 2 2 376.505 0.215 20 0 GCADLP C[NH+](C)CCn1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000579728829 1184115904 /nfs/dbraw/zinc/11/59/04/1184115904.db2.gz HKXRBNVRFVFPCI-UHFFFAOYSA-N 2 2 376.505 0.215 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000579757036 1184135237 /nfs/dbraw/zinc/13/52/37/1184135237.db2.gz WXVJZMUDHAIFKD-SJLPKXTDSA-N 2 2 380.533 0.545 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000579757036 1184135240 /nfs/dbraw/zinc/13/52/40/1184135240.db2.gz WXVJZMUDHAIFKD-SJLPKXTDSA-N 2 2 380.533 0.545 20 0 GCADLP COC(=O)CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(OC)OC ZINC000274644697 1184140783 /nfs/dbraw/zinc/14/07/83/1184140783.db2.gz LSGMJQXGGRFMBA-KRWDZBQOSA-N 2 2 395.500 0.890 20 0 GCADLP COC(=O)CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(OC)OC ZINC000274644697 1184140788 /nfs/dbraw/zinc/14/07/88/1184140788.db2.gz LSGMJQXGGRFMBA-KRWDZBQOSA-N 2 2 395.500 0.890 20 0 GCADLP CC[N@H+](CCO)CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000274701874 1184198861 /nfs/dbraw/zinc/19/88/61/1184198861.db2.gz YIWLCAOOQGRNCQ-UHFFFAOYSA-N 2 2 394.516 0.511 20 0 GCADLP CC[N@@H+](CCO)CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000274701874 1184198865 /nfs/dbraw/zinc/19/88/65/1184198865.db2.gz YIWLCAOOQGRNCQ-UHFFFAOYSA-N 2 2 394.516 0.511 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000655073800 1184275922 /nfs/dbraw/zinc/27/59/22/1184275922.db2.gz BIOTXSUQHCHOLQ-LPHOPBHVSA-N 2 2 377.489 0.056 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000655073800 1184275929 /nfs/dbraw/zinc/27/59/29/1184275929.db2.gz BIOTXSUQHCHOLQ-LPHOPBHVSA-N 2 2 377.489 0.056 20 0 GCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000109171288 1184335773 /nfs/dbraw/zinc/33/57/73/1184335773.db2.gz FBAIWYKIRXCSRL-FQEVSTJZSA-N 3 2 395.592 0.937 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069769314 1184375249 /nfs/dbraw/zinc/37/52/49/1184375249.db2.gz WQNBQDPSTOYSCO-UYAOXDASSA-N 2 2 389.544 0.995 20 0 GCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2)CC1 ZINC000274952585 1184441587 /nfs/dbraw/zinc/44/15/87/1184441587.db2.gz DTRDNSZRFPEMRA-FQEVSTJZSA-N 2 2 399.539 0.470 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]21 ZINC001083198210 1184663488 /nfs/dbraw/zinc/66/34/88/1184663488.db2.gz IKMMOEFPIARVRO-ZAWLATJESA-N 2 2 384.484 0.411 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]21 ZINC001083198210 1184663491 /nfs/dbraw/zinc/66/34/91/1184663491.db2.gz IKMMOEFPIARVRO-ZAWLATJESA-N 2 2 384.484 0.411 20 0 GCADLP CC(C)CNC(=O)C1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000890898322 1184750668 /nfs/dbraw/zinc/75/06/68/1184750668.db2.gz RTSVROKJGCFZIR-LJQANCHMSA-N 2 2 396.576 0.944 20 0 GCADLP CC(C)CNC(=O)C1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000890898322 1184750672 /nfs/dbraw/zinc/75/06/72/1184750672.db2.gz RTSVROKJGCFZIR-LJQANCHMSA-N 2 2 396.576 0.944 20 0 GCADLP C[C@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCO1 ZINC000655709912 1184782702 /nfs/dbraw/zinc/78/27/02/1184782702.db2.gz PENPFDGDAGEKCG-IPELMVKDSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@H](NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCO1 ZINC000655709912 1184782706 /nfs/dbraw/zinc/78/27/06/1184782706.db2.gz PENPFDGDAGEKCG-IPELMVKDSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000655709912 1184782711 /nfs/dbraw/zinc/78/27/11/1184782711.db2.gz PENPFDGDAGEKCG-IPELMVKDSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000655709912 1184782715 /nfs/dbraw/zinc/78/27/15/1184782715.db2.gz PENPFDGDAGEKCG-IPELMVKDSA-N 2 2 376.501 0.424 20 0 GCADLP CN(C)S(=O)(=O)C1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000891051665 1184873569 /nfs/dbraw/zinc/87/35/69/1184873569.db2.gz KHUDXXRJVYXKKI-UHFFFAOYSA-N 2 2 389.566 0.078 20 0 GCADLP CN(C)S(=O)(=O)C1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000891051665 1184873575 /nfs/dbraw/zinc/87/35/75/1184873575.db2.gz KHUDXXRJVYXKKI-UHFFFAOYSA-N 2 2 389.566 0.078 20 0 GCADLP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000579984618 1184883894 /nfs/dbraw/zinc/88/38/94/1184883894.db2.gz JTMADXCJRDUADN-ROUUACIJSA-N 2 2 378.517 0.489 20 0 GCADLP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000579984619 1184884406 /nfs/dbraw/zinc/88/44/06/1184884406.db2.gz JTMADXCJRDUADN-ZWKOTPCHSA-N 2 2 378.517 0.489 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000275662678 1184886356 /nfs/dbraw/zinc/88/63/56/1184886356.db2.gz IHLIZDCYQGFBGL-UHFFFAOYSA-N 2 2 387.484 0.604 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000275662678 1184886364 /nfs/dbraw/zinc/88/63/64/1184886364.db2.gz IHLIZDCYQGFBGL-UHFFFAOYSA-N 2 2 387.484 0.604 20 0 GCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000579988350 1184890693 /nfs/dbraw/zinc/89/06/93/1184890693.db2.gz ADTYPLQXMFBSQE-SJLPKXTDSA-N 2 2 380.533 0.356 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000047103891 1184907782 /nfs/dbraw/zinc/90/77/82/1184907782.db2.gz FBZWHKGDUSUUDK-JKSUJKDBSA-N 2 2 384.488 0.822 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000047103891 1184907783 /nfs/dbraw/zinc/90/77/83/1184907783.db2.gz FBZWHKGDUSUUDK-JKSUJKDBSA-N 2 2 384.488 0.822 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000642754732 1184908806 /nfs/dbraw/zinc/90/88/06/1184908806.db2.gz CDJITLWSQAFUCZ-LJQANCHMSA-N 2 2 387.528 0.381 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000970699441 1184972273 /nfs/dbraw/zinc/97/22/73/1184972273.db2.gz ZMTNKXYULRMZEO-KONPQCLYSA-N 2 2 389.500 0.088 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656086602 1185023723 /nfs/dbraw/zinc/02/37/23/1185023723.db2.gz DIMSLYJDHGIBMW-YESZJQIVSA-N 2 2 382.549 0.933 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656086602 1185023730 /nfs/dbraw/zinc/02/37/30/1185023730.db2.gz DIMSLYJDHGIBMW-YESZJQIVSA-N 2 2 382.549 0.933 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000580069188 1185044021 /nfs/dbraw/zinc/04/40/21/1185044021.db2.gz PCRBYVBQXQDIAL-OAQYLSRUSA-N 2 2 391.479 0.943 20 0 GCADLP COCC[N@H+](C)C[C@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151968 1185118127 /nfs/dbraw/zinc/11/81/27/1185118127.db2.gz WFPXQOZYCVKJEX-ROUUACIJSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[N@@H+](C)C[C@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151968 1185118134 /nfs/dbraw/zinc/11/81/34/1185118134.db2.gz WFPXQOZYCVKJEX-ROUUACIJSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[NH+](C)C[C@H](O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656151968 1185118138 /nfs/dbraw/zinc/11/81/38/1185118138.db2.gz WFPXQOZYCVKJEX-ROUUACIJSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[NH+](C)C[C@H](O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656151968 1185118143 /nfs/dbraw/zinc/11/81/43/1185118143.db2.gz WFPXQOZYCVKJEX-ROUUACIJSA-N 2 2 390.488 0.186 20 0 GCADLP O=C1NCC[C@]12CCC[NH+]2Cc1cncc(C[N@H+]2CCC[C@]23CCNC3=O)c1 ZINC000580212107 1185119078 /nfs/dbraw/zinc/11/90/78/1185119078.db2.gz XPNYTUBODBTUIY-NHCUHLMSSA-N 2 2 383.496 0.791 20 0 GCADLP O=C1NCC[C@]12CCC[NH+]2Cc1cncc(C[N@@H+]2CCC[C@]23CCNC3=O)c1 ZINC000580212107 1185119082 /nfs/dbraw/zinc/11/90/82/1185119082.db2.gz XPNYTUBODBTUIY-NHCUHLMSSA-N 2 2 383.496 0.791 20 0 GCADLP O=C1NCC[C@@]12CCC[NH+]2Cc1cncc(C[N@H+]2CCC[C@@]23CCNC3=O)c1 ZINC000580212109 1185119208 /nfs/dbraw/zinc/11/92/08/1185119208.db2.gz XPNYTUBODBTUIY-SFTDATJTSA-N 2 2 383.496 0.791 20 0 GCADLP O=C1NCC[C@@]12CCC[NH+]2Cc1cncc(C[N@@H+]2CCC[C@@]23CCNC3=O)c1 ZINC000580212109 1185119219 /nfs/dbraw/zinc/11/92/19/1185119219.db2.gz XPNYTUBODBTUIY-SFTDATJTSA-N 2 2 383.496 0.791 20 0 GCADLP O=C(CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000580309299 1185151217 /nfs/dbraw/zinc/15/12/17/1185151217.db2.gz QBLJIXBRIOBSBX-GOSISDBHSA-N 2 2 391.497 0.066 20 0 GCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000683878104 1185172307 /nfs/dbraw/zinc/17/23/07/1185172307.db2.gz JQFXAWFDJBYIPD-HNNXBMFYSA-N 2 2 398.467 0.918 20 0 GCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000683878104 1185172309 /nfs/dbraw/zinc/17/23/09/1185172309.db2.gz JQFXAWFDJBYIPD-HNNXBMFYSA-N 2 2 398.467 0.918 20 0 GCADLP COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO2 ZINC000891252531 1185182719 /nfs/dbraw/zinc/18/27/19/1185182719.db2.gz ICQHHBORCCSTHL-WUJZJPHMSA-N 2 2 384.521 0.670 20 0 GCADLP COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO2 ZINC000891252531 1185182725 /nfs/dbraw/zinc/18/27/25/1185182725.db2.gz ICQHHBORCCSTHL-WUJZJPHMSA-N 2 2 384.521 0.670 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000580498890 1185253782 /nfs/dbraw/zinc/25/37/82/1185253782.db2.gz FWEJTTCTSDHEDW-LJQANCHMSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000580498890 1185253787 /nfs/dbraw/zinc/25/37/87/1185253787.db2.gz FWEJTTCTSDHEDW-LJQANCHMSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000580498890 1185253789 /nfs/dbraw/zinc/25/37/89/1185253789.db2.gz FWEJTTCTSDHEDW-LJQANCHMSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000580498890 1185253793 /nfs/dbraw/zinc/25/37/93/1185253793.db2.gz FWEJTTCTSDHEDW-LJQANCHMSA-N 3 2 393.576 0.604 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000683986335 1185273864 /nfs/dbraw/zinc/27/38/64/1185273864.db2.gz UXLYVHHONYDHMP-IEBWSBKVSA-N 2 2 389.500 0.651 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000683986335 1185273871 /nfs/dbraw/zinc/27/38/71/1185273871.db2.gz UXLYVHHONYDHMP-IEBWSBKVSA-N 2 2 389.500 0.651 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000580634329 1185293409 /nfs/dbraw/zinc/29/34/09/1185293409.db2.gz LOLXZHUTPCHFOE-KZNAEPCWSA-N 2 2 392.544 0.545 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000580634329 1185293415 /nfs/dbraw/zinc/29/34/15/1185293415.db2.gz LOLXZHUTPCHFOE-KZNAEPCWSA-N 2 2 392.544 0.545 20 0 GCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000580644298 1185295969 /nfs/dbraw/zinc/29/59/69/1185295969.db2.gz OBBDZLXEGZUFAA-HRCADAONSA-N 2 2 391.520 0.707 20 0 GCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000580644298 1185295977 /nfs/dbraw/zinc/29/59/77/1185295977.db2.gz OBBDZLXEGZUFAA-HRCADAONSA-N 2 2 391.520 0.707 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104315292 1185325269 /nfs/dbraw/zinc/32/52/69/1185325269.db2.gz NYUVNZJLMPTSCY-KBUPBQIOSA-N 2 2 383.518 0.137 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104315292 1185325277 /nfs/dbraw/zinc/32/52/77/1185325277.db2.gz NYUVNZJLMPTSCY-KBUPBQIOSA-N 2 2 383.518 0.137 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCN(C)CC1 ZINC000656288357 1185335306 /nfs/dbraw/zinc/33/53/06/1185335306.db2.gz AYHQHYLJZHJBDR-FHWLQOOXSA-N 2 2 393.576 0.508 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+]1CCN(C)CC1 ZINC000656288357 1185335311 /nfs/dbraw/zinc/33/53/11/1185335311.db2.gz AYHQHYLJZHJBDR-FHWLQOOXSA-N 2 2 393.576 0.508 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000656296536 1185357048 /nfs/dbraw/zinc/35/70/48/1185357048.db2.gz KOBZKLPIZMUWMJ-UHFFFAOYSA-N 2 2 381.565 0.463 20 0 GCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304305 1185378195 /nfs/dbraw/zinc/37/81/95/1185378195.db2.gz VXOVYTJCIPTCII-ICUGJSFKSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304305 1185378199 /nfs/dbraw/zinc/37/81/99/1185378199.db2.gz VXOVYTJCIPTCII-ICUGJSFKSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304305 1185378203 /nfs/dbraw/zinc/37/82/03/1185378203.db2.gz VXOVYTJCIPTCII-ICUGJSFKSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304305 1185378208 /nfs/dbraw/zinc/37/82/08/1185378208.db2.gz VXOVYTJCIPTCII-ICUGJSFKSA-N 2 2 382.549 0.837 20 0 GCADLP C[N@H+](CCO)C1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000580942952 1185435090 /nfs/dbraw/zinc/43/50/90/1185435090.db2.gz NDDBMKOBZMSAEV-UHFFFAOYSA-N 2 2 399.495 0.463 20 0 GCADLP C[N@@H+](CCO)C1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000580942952 1185435094 /nfs/dbraw/zinc/43/50/94/1185435094.db2.gz NDDBMKOBZMSAEV-UHFFFAOYSA-N 2 2 399.495 0.463 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354294 1185446899 /nfs/dbraw/zinc/44/68/99/1185446899.db2.gz BTEKDEJUTBZVJX-OALUTQOASA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354294 1185446904 /nfs/dbraw/zinc/44/69/04/1185446904.db2.gz BTEKDEJUTBZVJX-OALUTQOASA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354294 1185446911 /nfs/dbraw/zinc/44/69/11/1185446911.db2.gz BTEKDEJUTBZVJX-OALUTQOASA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354294 1185446917 /nfs/dbraw/zinc/44/69/17/1185446917.db2.gz BTEKDEJUTBZVJX-OALUTQOASA-N 3 2 393.576 0.604 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656353316 1185447330 /nfs/dbraw/zinc/44/73/30/1185447330.db2.gz AFDIUXFAIGMSKO-MSOLQXFVSA-N 2 2 380.533 0.689 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656353316 1185447332 /nfs/dbraw/zinc/44/73/32/1185447332.db2.gz AFDIUXFAIGMSKO-MSOLQXFVSA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354296 1185448262 /nfs/dbraw/zinc/44/82/62/1185448262.db2.gz BTEKDEJUTBZVJX-RTBURBONSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354296 1185448268 /nfs/dbraw/zinc/44/82/68/1185448268.db2.gz BTEKDEJUTBZVJX-RTBURBONSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354296 1185448270 /nfs/dbraw/zinc/44/82/70/1185448270.db2.gz BTEKDEJUTBZVJX-RTBURBONSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354296 1185448275 /nfs/dbraw/zinc/44/82/75/1185448275.db2.gz BTEKDEJUTBZVJX-RTBURBONSA-N 3 2 393.576 0.604 20 0 GCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC000580993556 1185464580 /nfs/dbraw/zinc/46/45/80/1185464580.db2.gz PLYUSNGNCXIEGV-KDURUIRLSA-N 2 2 398.507 0.659 20 0 GCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC000580993556 1185464583 /nfs/dbraw/zinc/46/45/83/1185464583.db2.gz PLYUSNGNCXIEGV-KDURUIRLSA-N 2 2 398.507 0.659 20 0 GCADLP C[C@H]1CCCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H]1C[NH3+] ZINC000430564026 1185606484 /nfs/dbraw/zinc/60/64/84/1185606484.db2.gz KXDHVTQMIHFMGC-GOEBONIOSA-N 2 2 386.504 0.071 20 0 GCADLP COc1ccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1S(=O)(=O)N(C)C ZINC000430564434 1185610726 /nfs/dbraw/zinc/61/07/26/1185610726.db2.gz BCMKYSIPAWEJRK-KRWDZBQOSA-N 2 2 384.502 0.601 20 0 GCADLP C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)CC(C)(C)C[NH3+] ZINC000430572469 1185622854 /nfs/dbraw/zinc/62/28/54/1185622854.db2.gz PKDJTYKADCRZKW-UHFFFAOYSA-N 2 2 376.501 0.692 20 0 GCADLP C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)CC(C)(C)C[NH3+] ZINC000430572469 1185622860 /nfs/dbraw/zinc/62/28/60/1185622860.db2.gz PKDJTYKADCRZKW-UHFFFAOYSA-N 2 2 376.501 0.692 20 0 GCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000276161734 1185635324 /nfs/dbraw/zinc/63/53/24/1185635324.db2.gz ACTPAVCMNJSIOH-UHFFFAOYSA-N 2 2 394.520 0.344 20 0 GCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000430584813 1185641132 /nfs/dbraw/zinc/64/11/32/1185641132.db2.gz OZWCDKKCHQAHDO-SFHVURJKSA-N 2 2 382.530 0.483 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000276202597 1185681436 /nfs/dbraw/zinc/68/14/36/1185681436.db2.gz ZEHOVZYEUZPLQC-WMLDXEAASA-N 2 2 389.500 0.964 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000276202597 1185681440 /nfs/dbraw/zinc/68/14/40/1185681440.db2.gz ZEHOVZYEUZPLQC-WMLDXEAASA-N 2 2 389.500 0.964 20 0 GCADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000891411214 1185710483 /nfs/dbraw/zinc/71/04/83/1185710483.db2.gz DHWDKFJSSSNKBH-QGZVFWFLSA-N 2 2 397.570 0.877 20 0 GCADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000891411357 1185710985 /nfs/dbraw/zinc/71/09/85/1185710985.db2.gz HGUIPCFFXSBUGX-APWZRJJASA-N 2 2 398.573 0.652 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430609741 1185751775 /nfs/dbraw/zinc/75/17/75/1185751775.db2.gz ISKMKPJUSMVJID-ILXRZTDVSA-N 2 2 382.530 0.831 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430609741 1185751777 /nfs/dbraw/zinc/75/17/77/1185751777.db2.gz ISKMKPJUSMVJID-ILXRZTDVSA-N 2 2 382.530 0.831 20 0 GCADLP CC(C)Cc1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000684301877 1185752497 /nfs/dbraw/zinc/75/24/97/1185752497.db2.gz NCQUEPYLPOQPME-OAHLLOKOSA-N 2 2 388.516 0.898 20 0 GCADLP CC(C)Cc1ncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000684301877 1185752500 /nfs/dbraw/zinc/75/25/00/1185752500.db2.gz NCQUEPYLPOQPME-OAHLLOKOSA-N 2 2 388.516 0.898 20 0 GCADLP CCCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000581657283 1185818310 /nfs/dbraw/zinc/81/83/10/1185818310.db2.gz BZLPNYZVXNDDEY-QZTJIDSGSA-N 2 2 380.533 0.737 20 0 GCADLP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1nc2c(s1)CCC2 ZINC000430631001 1185818901 /nfs/dbraw/zinc/81/89/01/1185818901.db2.gz SRIGPFFDWDXUAQ-CYBMUJFWSA-N 2 2 377.514 0.714 20 0 GCADLP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1nc2c(s1)CCC2 ZINC000430631001 1185818911 /nfs/dbraw/zinc/81/89/11/1185818911.db2.gz SRIGPFFDWDXUAQ-CYBMUJFWSA-N 2 2 377.514 0.714 20 0 GCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430639172 1185842595 /nfs/dbraw/zinc/84/25/95/1185842595.db2.gz FDFUGZKTANTLNL-LJQANCHMSA-N 3 2 387.528 0.118 20 0 GCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430639172 1185842604 /nfs/dbraw/zinc/84/26/04/1185842604.db2.gz FDFUGZKTANTLNL-LJQANCHMSA-N 3 2 387.528 0.118 20 0 GCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430639171 1185842945 /nfs/dbraw/zinc/84/29/45/1185842945.db2.gz FDFUGZKTANTLNL-IBGZPJMESA-N 3 2 387.528 0.118 20 0 GCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430639171 1185842950 /nfs/dbraw/zinc/84/29/50/1185842950.db2.gz FDFUGZKTANTLNL-IBGZPJMESA-N 3 2 387.528 0.118 20 0 GCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CCO1 ZINC000510453664 1185858395 /nfs/dbraw/zinc/85/83/95/1185858395.db2.gz BAIBSMWBHOJTKC-HQSKLWIPSA-N 2 2 395.548 0.480 20 0 GCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CCO1 ZINC000510453664 1185858403 /nfs/dbraw/zinc/85/84/03/1185858403.db2.gz BAIBSMWBHOJTKC-HQSKLWIPSA-N 2 2 395.548 0.480 20 0 GCADLP CC[C@@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCO1 ZINC000510453664 1185858413 /nfs/dbraw/zinc/85/84/13/1185858413.db2.gz BAIBSMWBHOJTKC-HQSKLWIPSA-N 2 2 395.548 0.480 20 0 GCADLP CC[C@@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCO1 ZINC000510453664 1185858422 /nfs/dbraw/zinc/85/84/22/1185858422.db2.gz BAIBSMWBHOJTKC-HQSKLWIPSA-N 2 2 395.548 0.480 20 0 GCADLP O=C(CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000891466077 1185880286 /nfs/dbraw/zinc/88/02/86/1185880286.db2.gz YJKOWQBDQNMSCU-IAGOWNOFSA-N 2 2 386.500 0.656 20 0 GCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891466051 1185880369 /nfs/dbraw/zinc/88/03/69/1185880369.db2.gz XWKQKUQJDQGZNZ-OXJNMPFZSA-N 2 2 386.500 0.704 20 0 GCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891466057 1185880731 /nfs/dbraw/zinc/88/07/31/1185880731.db2.gz XWKQKUQJDQGZNZ-UZLBHIALSA-N 2 2 386.500 0.704 20 0 GCADLP O=C(NCC[NH+]1CCC(O)CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891506014 1185899057 /nfs/dbraw/zinc/89/90/57/1185899057.db2.gz SNYBJIDBFNBHRO-LJQANCHMSA-N 2 2 376.501 0.643 20 0 GCADLP O=C(NCC[NH+]1CCC(O)CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891506014 1185899063 /nfs/dbraw/zinc/89/90/63/1185899063.db2.gz SNYBJIDBFNBHRO-LJQANCHMSA-N 2 2 376.501 0.643 20 0 GCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000127314899 1185905344 /nfs/dbraw/zinc/90/53/44/1185905344.db2.gz PTLBWKQONMYBDC-UHFFFAOYSA-N 2 2 387.528 0.927 20 0 GCADLP C[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)C[NH+](C)C ZINC000085359519 1185989197 /nfs/dbraw/zinc/98/91/97/1185989197.db2.gz FTXBTLBSDDXHLQ-INIZCTEOSA-N 2 2 377.537 0.874 20 0 GCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891709713 1185990642 /nfs/dbraw/zinc/99/06/42/1185990642.db2.gz SZMYUDGHKRXGRC-JONQDZQNSA-N 2 2 386.456 0.237 20 0 GCADLP O=C(CC1CC[NH2+]CC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430715990 1186022818 /nfs/dbraw/zinc/02/28/18/1186022818.db2.gz RNTKFKLTJPJTPX-UHFFFAOYSA-N 2 2 395.529 0.039 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000430929528 1186055198 /nfs/dbraw/zinc/05/51/98/1186055198.db2.gz OVJWQJMCACXNIR-WBVHZDCISA-N 2 2 380.514 0.189 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000430929528 1186055203 /nfs/dbraw/zinc/05/52/03/1186055203.db2.gz OVJWQJMCACXNIR-WBVHZDCISA-N 2 2 380.514 0.189 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CC[NH2+][C@H](C)C3)CC2)cc1OC ZINC000430934557 1186058107 /nfs/dbraw/zinc/05/81/07/1186058107.db2.gz PJZYUXPYUMDYLD-QGZVFWFLSA-N 2 2 390.528 0.950 20 0 GCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430960641 1186070741 /nfs/dbraw/zinc/07/07/41/1186070741.db2.gz KRIIOBUDHDDCNR-GOSISDBHSA-N 2 2 394.541 0.202 20 0 GCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430960641 1186070747 /nfs/dbraw/zinc/07/07/47/1186070747.db2.gz KRIIOBUDHDDCNR-GOSISDBHSA-N 2 2 394.541 0.202 20 0 GCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087181405 1186117390 /nfs/dbraw/zinc/11/73/90/1186117390.db2.gz PXHZCZDORHLOLG-TXCZRRACSA-N 2 2 391.520 0.444 20 0 GCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087181405 1186117399 /nfs/dbraw/zinc/11/73/99/1186117399.db2.gz PXHZCZDORHLOLG-TXCZRRACSA-N 2 2 391.520 0.444 20 0 GCADLP CC(C)([NH3+])c1noc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1 ZINC000431071164 1186119038 /nfs/dbraw/zinc/11/90/38/1186119038.db2.gz OCLCTMOSUFPSHJ-HNNXBMFYSA-N 2 2 375.473 0.821 20 0 GCADLP C[C@@H]1CN(C[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@@H](C)O1 ZINC000563012122 1186132771 /nfs/dbraw/zinc/13/27/71/1186132771.db2.gz UNANFZGQFDOQQQ-HEIDADNPSA-N 2 2 382.549 0.130 20 0 GCADLP C[C@@H]1CN(C[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@@H](C)O1 ZINC000563012122 1186132772 /nfs/dbraw/zinc/13/27/72/1186132772.db2.gz UNANFZGQFDOQQQ-HEIDADNPSA-N 2 2 382.549 0.130 20 0 GCADLP CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000276943315 1186166793 /nfs/dbraw/zinc/16/67/93/1186166793.db2.gz KHBBIZSWWHRDFQ-HOTGVXAUSA-N 2 2 387.488 0.559 20 0 GCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000182966138 1186265546 /nfs/dbraw/zinc/26/55/46/1186265546.db2.gz BIWBZQQTAIOXJM-UHFFFAOYSA-N 2 2 377.533 0.493 20 0 GCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000182966138 1186265549 /nfs/dbraw/zinc/26/55/49/1186265549.db2.gz BIWBZQQTAIOXJM-UHFFFAOYSA-N 2 2 377.533 0.493 20 0 GCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000563153075 1186313375 /nfs/dbraw/zinc/31/33/75/1186313375.db2.gz XNVPRBCFSRXNLB-OAHLLOKOSA-N 2 2 398.504 0.200 20 0 GCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000563153075 1186313382 /nfs/dbraw/zinc/31/33/82/1186313382.db2.gz XNVPRBCFSRXNLB-OAHLLOKOSA-N 2 2 398.504 0.200 20 0 GCADLP O=C(NCC[NH+]1CCC(O)CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000892125559 1186357836 /nfs/dbraw/zinc/35/78/36/1186357836.db2.gz DQCJAGPSYBDMTA-UHFFFAOYSA-N 2 2 376.501 0.775 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[NH2+]CCCO3)C2)c1 ZINC000892170049 1186396249 /nfs/dbraw/zinc/39/62/49/1186396249.db2.gz RPLOGWXGMNQXRP-MOPGFXCFSA-N 2 2 376.501 0.874 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[NH2+]CCCO3)C2)c1 ZINC000892170049 1186396255 /nfs/dbraw/zinc/39/62/55/1186396255.db2.gz RPLOGWXGMNQXRP-MOPGFXCFSA-N 2 2 376.501 0.874 20 0 GCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000582079184 1186398998 /nfs/dbraw/zinc/39/89/98/1186398998.db2.gz VCWXDZXMCITYRO-UHFFFAOYSA-N 3 2 395.592 0.707 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCC[NH+](C)CCO)C[C@H](C)O1 ZINC000892221171 1186464378 /nfs/dbraw/zinc/46/43/78/1186464378.db2.gz PAJHRWGECOUMPL-IYBDPMFKSA-N 2 2 392.500 0.275 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCC[NH+](C)CCO)C[C@H](C)O1 ZINC000892221171 1186464386 /nfs/dbraw/zinc/46/43/86/1186464386.db2.gz PAJHRWGECOUMPL-IYBDPMFKSA-N 2 2 392.500 0.275 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC[N@H+](C)CCO)C[C@H](C)O1 ZINC000892221171 1186464392 /nfs/dbraw/zinc/46/43/92/1186464392.db2.gz PAJHRWGECOUMPL-IYBDPMFKSA-N 2 2 392.500 0.275 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC[N@@H+](C)CCO)C[C@H](C)O1 ZINC000892221171 1186464398 /nfs/dbraw/zinc/46/43/98/1186464398.db2.gz PAJHRWGECOUMPL-IYBDPMFKSA-N 2 2 392.500 0.275 20 0 GCADLP C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000892221460 1186467566 /nfs/dbraw/zinc/46/75/66/1186467566.db2.gz XIYIFMSWYFXVJX-UHFFFAOYSA-N 2 2 385.468 0.865 20 0 GCADLP C[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000892221460 1186467568 /nfs/dbraw/zinc/46/75/68/1186467568.db2.gz XIYIFMSWYFXVJX-UHFFFAOYSA-N 2 2 385.468 0.865 20 0 GCADLP O=C(C[N@H+]1CCC[C@@H](OCCO)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548733553 1186501557 /nfs/dbraw/zinc/50/15/57/1186501557.db2.gz WPVAYSZELJGECI-HXUWFJFHSA-N 2 2 391.512 0.608 20 0 GCADLP O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548733553 1186501564 /nfs/dbraw/zinc/50/15/64/1186501564.db2.gz WPVAYSZELJGECI-HXUWFJFHSA-N 2 2 391.512 0.608 20 0 GCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892258812 1186514420 /nfs/dbraw/zinc/51/44/20/1186514420.db2.gz KCPORYHHMJDMFD-JENIJYKNSA-N 2 2 398.573 0.435 20 0 GCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892258812 1186514422 /nfs/dbraw/zinc/51/44/22/1186514422.db2.gz KCPORYHHMJDMFD-JENIJYKNSA-N 2 2 398.573 0.435 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001022748843 1186542895 /nfs/dbraw/zinc/54/28/95/1186542895.db2.gz IRURPCDJDLRGSL-BVIKNXMNSA-N 2 2 382.468 0.788 20 0 GCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582545755 1186562234 /nfs/dbraw/zinc/56/22/34/1186562234.db2.gz FJMRSOIKWOABJS-KZNAEPCWSA-N 2 2 393.532 0.234 20 0 GCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582545755 1186562236 /nfs/dbraw/zinc/56/22/36/1186562236.db2.gz FJMRSOIKWOABJS-KZNAEPCWSA-N 2 2 393.532 0.234 20 0 GCADLP CN(C(=O)CC[C@H]1CC[NH2+]C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000582547255 1186562578 /nfs/dbraw/zinc/56/25/78/1186562578.db2.gz UVCOIDVNWMJZES-KRWDZBQOSA-N 3 2 379.549 0.073 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000582619961 1186587299 /nfs/dbraw/zinc/58/72/99/1186587299.db2.gz MDGOPSVECKZIIK-BQFCYCMXSA-N 2 2 379.549 0.116 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000582619961 1186587302 /nfs/dbraw/zinc/58/73/02/1186587302.db2.gz MDGOPSVECKZIIK-BQFCYCMXSA-N 2 2 379.549 0.116 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000363485107 1186611361 /nfs/dbraw/zinc/61/13/61/1186611361.db2.gz KLCXTEUXXYDIBH-MOPGFXCFSA-N 3 2 379.549 0.707 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000363485107 1186611365 /nfs/dbraw/zinc/61/13/65/1186611365.db2.gz KLCXTEUXXYDIBH-MOPGFXCFSA-N 3 2 379.549 0.707 20 0 GCADLP C[NH+]1CCC(O)(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000077755895 1186654863 /nfs/dbraw/zinc/65/48/63/1186654863.db2.gz FDLVGNHMGYYHJK-UHFFFAOYSA-N 2 2 376.501 0.775 20 0 GCADLP CN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000642919842 1186669395 /nfs/dbraw/zinc/66/93/95/1186669395.db2.gz JQZBETSAXAIRLM-MOPGFXCFSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000642919842 1186669399 /nfs/dbraw/zinc/66/93/99/1186669399.db2.gz JQZBETSAXAIRLM-MOPGFXCFSA-N 3 2 393.576 0.650 20 0 GCADLP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000582799859 1186682549 /nfs/dbraw/zinc/68/25/49/1186682549.db2.gz CEVSQLZVEYWCMT-UHFFFAOYSA-N 2 2 393.576 0.607 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000582835280 1186706444 /nfs/dbraw/zinc/70/64/44/1186706444.db2.gz GEMBIWHDOZEONF-SQNIBIBYSA-N 2 2 395.935 0.915 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000582835280 1186706447 /nfs/dbraw/zinc/70/64/47/1186706447.db2.gz GEMBIWHDOZEONF-SQNIBIBYSA-N 2 2 395.935 0.915 20 0 GCADLP CC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000582847701 1186710780 /nfs/dbraw/zinc/71/07/80/1186710780.db2.gz BQUSBLKBXZJCAN-KZNAEPCWSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000582847701 1186710784 /nfs/dbraw/zinc/71/07/84/1186710784.db2.gz BQUSBLKBXZJCAN-KZNAEPCWSA-N 2 2 380.533 0.687 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000582982972 1186743210 /nfs/dbraw/zinc/74/32/10/1186743210.db2.gz RIIPZRSXELKGOK-ROUUACIJSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000583039196 1186753472 /nfs/dbraw/zinc/75/34/72/1186753472.db2.gz ZORCSCNBHFHFRY-CALCHBBNSA-N 2 2 382.549 0.935 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000583039196 1186753474 /nfs/dbraw/zinc/75/34/74/1186753474.db2.gz ZORCSCNBHFHFRY-CALCHBBNSA-N 2 2 382.549 0.935 20 0 GCADLP CC[C@@H]1CN(c2nnc(C)n2CCC[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001744976343 1186791257 /nfs/dbraw/zinc/79/12/57/1186791257.db2.gz JXMXNNUTYAMFPU-RTBURBONSA-N 2 2 392.548 0.856 20 0 GCADLP C[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000427564937 1186823314 /nfs/dbraw/zinc/82/33/14/1186823314.db2.gz LQYCVCGEJAKSAZ-DOTOQJQBSA-N 2 2 399.499 1.395 20 0 GCADLP CN(CCC[NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000583334096 1186829229 /nfs/dbraw/zinc/82/92/29/1186829229.db2.gz YPRDHPIWMPLZBQ-OAHLLOKOSA-N 2 2 377.493 0.272 20 0 GCADLP CN(CCC[NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000583334096 1186829232 /nfs/dbraw/zinc/82/92/32/1186829232.db2.gz YPRDHPIWMPLZBQ-OAHLLOKOSA-N 2 2 377.493 0.272 20 0 GCADLP CCCCN(C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000583381964 1186839998 /nfs/dbraw/zinc/83/99/98/1186839998.db2.gz YMUAFSJGGDFTKN-KGLIPLIRSA-N 2 2 394.520 0.743 20 0 GCADLP CCCCN(C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000583381964 1186839999 /nfs/dbraw/zinc/83/99/99/1186839999.db2.gz YMUAFSJGGDFTKN-KGLIPLIRSA-N 2 2 394.520 0.743 20 0 GCADLP CN(C(=O)c1ccc2nncn2c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329205897 1186877469 /nfs/dbraw/zinc/87/74/69/1186877469.db2.gz ZKIKAVUURURCLQ-UHFFFAOYSA-N 2 2 399.499 0.040 20 0 GCADLP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000685176407 1186912387 /nfs/dbraw/zinc/91/23/87/1186912387.db2.gz BSJBZRBZQSJUBB-QWHCGFSZSA-N 2 2 382.427 0.212 20 0 GCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000685176407 1186912388 /nfs/dbraw/zinc/91/23/88/1186912388.db2.gz BSJBZRBZQSJUBB-QWHCGFSZSA-N 2 2 382.427 0.212 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)CCC(F)(F)F ZINC000685176407 1186912390 /nfs/dbraw/zinc/91/23/90/1186912390.db2.gz BSJBZRBZQSJUBB-QWHCGFSZSA-N 2 2 382.427 0.212 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)CCC(F)(F)F ZINC000685176407 1186912391 /nfs/dbraw/zinc/91/23/91/1186912391.db2.gz BSJBZRBZQSJUBB-QWHCGFSZSA-N 2 2 382.427 0.212 20 0 GCADLP O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000129388249 1186917011 /nfs/dbraw/zinc/91/70/11/1186917011.db2.gz LUVKRBYBWKWDKD-LJQANCHMSA-N 2 2 387.528 0.774 20 0 GCADLP O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000129388249 1186917014 /nfs/dbraw/zinc/91/70/14/1186917014.db2.gz LUVKRBYBWKWDKD-LJQANCHMSA-N 2 2 387.528 0.774 20 0 GCADLP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000670709185 1186923292 /nfs/dbraw/zinc/92/32/92/1186923292.db2.gz OIYZXYUPGIQGKB-GOSISDBHSA-N 2 2 380.533 0.548 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1=CC[NH+](C)CC1 ZINC000584080726 1186995639 /nfs/dbraw/zinc/99/56/39/1186995639.db2.gz PNNYBCBFDXAIHZ-MRXNPFEDSA-N 3 2 379.549 0.237 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1=CC[NH+](C)CC1 ZINC000584080726 1186995643 /nfs/dbraw/zinc/99/56/43/1186995643.db2.gz PNNYBCBFDXAIHZ-MRXNPFEDSA-N 3 2 379.549 0.237 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000584080726 1186995644 /nfs/dbraw/zinc/99/56/44/1186995644.db2.gz PNNYBCBFDXAIHZ-MRXNPFEDSA-N 3 2 379.549 0.237 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000584080726 1186995646 /nfs/dbraw/zinc/99/56/46/1186995646.db2.gz PNNYBCBFDXAIHZ-MRXNPFEDSA-N 3 2 379.549 0.237 20 0 GCADLP C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000584232161 1187018974 /nfs/dbraw/zinc/01/89/74/1187018974.db2.gz HSPRBVNAYIVBLG-UHFFFAOYSA-N 2 2 398.504 0.342 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000584232161 1187018980 /nfs/dbraw/zinc/01/89/80/1187018980.db2.gz HSPRBVNAYIVBLG-UHFFFAOYSA-N 2 2 398.504 0.342 20 0 GCADLP C[NH+](C)[C@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C[C@@H]1O ZINC000584241685 1187019657 /nfs/dbraw/zinc/01/96/57/1187019657.db2.gz RQKUBRKOGNWUEV-ULQDDVLXSA-N 2 2 377.489 0.151 20 0 GCADLP C[NH+](C)[C@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C[C@@H]1O ZINC000584241685 1187019658 /nfs/dbraw/zinc/01/96/58/1187019658.db2.gz RQKUBRKOGNWUEV-ULQDDVLXSA-N 2 2 377.489 0.151 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000083694289 1187051856 /nfs/dbraw/zinc/05/18/56/1187051856.db2.gz UXADPXNPGQIYPU-MOPGFXCFSA-N 2 2 378.517 0.494 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000685336362 1187100803 /nfs/dbraw/zinc/10/08/03/1187100803.db2.gz VKTWVTNGGCCGAX-RRQGHBQHSA-N 2 2 380.464 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000685336362 1187100806 /nfs/dbraw/zinc/10/08/06/1187100806.db2.gz VKTWVTNGGCCGAX-RRQGHBQHSA-N 2 2 380.464 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000685336361 1187100946 /nfs/dbraw/zinc/10/09/46/1187100946.db2.gz VKTWVTNGGCCGAX-JQFCIGGWSA-N 2 2 380.464 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336361 1187100948 /nfs/dbraw/zinc/10/09/48/1187100948.db2.gz VKTWVTNGGCCGAX-JQFCIGGWSA-N 2 2 380.464 0.380 20 0 GCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685359225 1187115596 /nfs/dbraw/zinc/11/55/96/1187115596.db2.gz BXNBCXQVNWKJIC-OTWHNJEPSA-N 2 2 393.491 0.905 20 0 GCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685359225 1187115600 /nfs/dbraw/zinc/11/56/00/1187115600.db2.gz BXNBCXQVNWKJIC-OTWHNJEPSA-N 2 2 393.491 0.905 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]1CCO)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685412052 1187123567 /nfs/dbraw/zinc/12/35/67/1187123567.db2.gz OKKVZHWZPHDWMK-NJAFHUGGSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]1CCO)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685412052 1187123574 /nfs/dbraw/zinc/12/35/74/1187123574.db2.gz OKKVZHWZPHDWMK-NJAFHUGGSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C(=O)C(=O)NCCCOC(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685508414 1187138650 /nfs/dbraw/zinc/13/86/50/1187138650.db2.gz WQDKLTMVRHOZQZ-CQSZACIVSA-N 2 2 376.448 0.359 20 0 GCADLP CN(C(=O)C(=O)NCCCOC(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685508414 1187138653 /nfs/dbraw/zinc/13/86/53/1187138653.db2.gz WQDKLTMVRHOZQZ-CQSZACIVSA-N 2 2 376.448 0.359 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@H+](C)CCCO)CC1 ZINC000172305837 1187155201 /nfs/dbraw/zinc/15/52/01/1187155201.db2.gz DWYJSULXAGUHRV-SFHVURJKSA-N 2 2 389.544 0.897 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000172305837 1187155203 /nfs/dbraw/zinc/15/52/03/1187155203.db2.gz DWYJSULXAGUHRV-SFHVURJKSA-N 2 2 389.544 0.897 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672014135 1187178640 /nfs/dbraw/zinc/17/86/40/1187178640.db2.gz KMOYKJXKLFITGD-RYQLBKOJSA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685673774 1187218310 /nfs/dbraw/zinc/21/83/10/1187218310.db2.gz WHMIEHHVRVEGOR-INIZCTEOSA-N 2 2 375.477 0.880 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685673774 1187218313 /nfs/dbraw/zinc/21/83/13/1187218313.db2.gz WHMIEHHVRVEGOR-INIZCTEOSA-N 2 2 375.477 0.880 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000657975531 1187221232 /nfs/dbraw/zinc/22/12/32/1187221232.db2.gz VPNBTKKSSOVSGW-UHFFFAOYSA-N 2 2 394.560 0.892 20 0 GCADLP C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@H+](C)CCO1 ZINC000635710955 1187248356 /nfs/dbraw/zinc/24/83/56/1187248356.db2.gz AIPHQLDLZIUGHU-GUYCJALGSA-N 2 2 375.473 0.752 20 0 GCADLP C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000635710955 1187248359 /nfs/dbraw/zinc/24/83/59/1187248359.db2.gz AIPHQLDLZIUGHU-GUYCJALGSA-N 2 2 375.473 0.752 20 0 GCADLP C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@H+](C)CCO1 ZINC000635710953 1187248584 /nfs/dbraw/zinc/24/85/84/1187248584.db2.gz AIPHQLDLZIUGHU-CXAGYDPISA-N 2 2 375.473 0.752 20 0 GCADLP C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@@H+](C)CCO1 ZINC000635710953 1187248587 /nfs/dbraw/zinc/24/85/87/1187248587.db2.gz AIPHQLDLZIUGHU-CXAGYDPISA-N 2 2 375.473 0.752 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000685734369 1187382340 /nfs/dbraw/zinc/38/23/40/1187382340.db2.gz KLLZNCSMHAHKGS-HNNXBMFYSA-N 2 2 398.504 0.389 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000685734369 1187382343 /nfs/dbraw/zinc/38/23/43/1187382343.db2.gz KLLZNCSMHAHKGS-HNNXBMFYSA-N 2 2 398.504 0.389 20 0 GCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658622887 1187389671 /nfs/dbraw/zinc/38/96/71/1187389671.db2.gz ISJFVHCWJGSEOX-KRWDZBQOSA-N 3 2 381.565 0.460 20 0 GCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658622887 1187389674 /nfs/dbraw/zinc/38/96/74/1187389674.db2.gz ISJFVHCWJGSEOX-KRWDZBQOSA-N 3 2 381.565 0.460 20 0 GCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000685742525 1187395959 /nfs/dbraw/zinc/39/59/59/1187395959.db2.gz HEBHCEMWXXVCRF-HXUWFJFHSA-N 2 2 397.523 0.997 20 0 GCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000685742525 1187395963 /nfs/dbraw/zinc/39/59/63/1187395963.db2.gz HEBHCEMWXXVCRF-HXUWFJFHSA-N 2 2 397.523 0.997 20 0 GCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000584317573 1187415324 /nfs/dbraw/zinc/41/53/24/1187415324.db2.gz WTPKCYJYXAJWQM-MRXNPFEDSA-N 2 2 389.500 0.418 20 0 GCADLP CCCC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000612289472 1187451326 /nfs/dbraw/zinc/45/13/26/1187451326.db2.gz XJZUUPOUBJVHDA-SQNIBIBYSA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000612289472 1187451330 /nfs/dbraw/zinc/45/13/30/1187451330.db2.gz XJZUUPOUBJVHDA-SQNIBIBYSA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000612289472 1187451331 /nfs/dbraw/zinc/45/13/31/1187451331.db2.gz XJZUUPOUBJVHDA-SQNIBIBYSA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000612289472 1187451334 /nfs/dbraw/zinc/45/13/34/1187451334.db2.gz XJZUUPOUBJVHDA-SQNIBIBYSA-N 2 2 398.548 0.219 20 0 GCADLP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000569833137 1187463097 /nfs/dbraw/zinc/46/30/97/1187463097.db2.gz VLDQFJWUCBTSNW-MSOLQXFVSA-N 2 2 380.533 0.594 20 0 GCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000375906481 1187481995 /nfs/dbraw/zinc/48/19/95/1187481995.db2.gz PHWVFBWHGMOKEL-CYBMUJFWSA-N 2 2 379.427 0.475 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413802298 1187518065 /nfs/dbraw/zinc/51/80/65/1187518065.db2.gz UMLFWBMPXTUYFR-SJORKVTESA-N 2 2 379.505 0.446 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000612602160 1187540158 /nfs/dbraw/zinc/54/01/58/1187540158.db2.gz WGURUTDGQAUCLL-QGZVFWFLSA-N 2 2 387.484 0.100 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+](C)C1 ZINC000413896068 1187573642 /nfs/dbraw/zinc/57/36/42/1187573642.db2.gz FVYUCQFRCWBKAW-RTBURBONSA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+](C)C1 ZINC000413896068 1187573644 /nfs/dbraw/zinc/57/36/44/1187573644.db2.gz FVYUCQFRCWBKAW-RTBURBONSA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413896068 1187573647 /nfs/dbraw/zinc/57/36/47/1187573647.db2.gz FVYUCQFRCWBKAW-RTBURBONSA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413896068 1187573650 /nfs/dbraw/zinc/57/36/50/1187573650.db2.gz FVYUCQFRCWBKAW-RTBURBONSA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+](C)C1 ZINC000413904690 1187577217 /nfs/dbraw/zinc/57/72/17/1187577217.db2.gz PWCVMCAADBUMGE-IEBWSBKVSA-N 2 2 389.496 0.748 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+](C)C1 ZINC000413904690 1187577219 /nfs/dbraw/zinc/57/72/19/1187577219.db2.gz PWCVMCAADBUMGE-IEBWSBKVSA-N 2 2 389.496 0.748 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+](C)C1 ZINC000413911789 1187582240 /nfs/dbraw/zinc/58/22/40/1187582240.db2.gz ZDUJWBARYLWFGE-LJQANCHMSA-N 2 2 388.512 0.611 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+](C)C1 ZINC000413911789 1187582243 /nfs/dbraw/zinc/58/22/43/1187582243.db2.gz ZDUJWBARYLWFGE-LJQANCHMSA-N 2 2 388.512 0.611 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+](C)C1 ZINC000413911883 1187583918 /nfs/dbraw/zinc/58/39/18/1187583918.db2.gz ZGCVKNXMCJZRAQ-IBGZPJMESA-N 2 2 388.512 0.611 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+](C)C1 ZINC000413911883 1187583924 /nfs/dbraw/zinc/58/39/24/1187583924.db2.gz ZGCVKNXMCJZRAQ-IBGZPJMESA-N 2 2 388.512 0.611 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@H+](C)C1 ZINC000413911883 1187583930 /nfs/dbraw/zinc/58/39/30/1187583930.db2.gz ZGCVKNXMCJZRAQ-IBGZPJMESA-N 2 2 388.512 0.611 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@@H+](C)C1 ZINC000413911883 1187583935 /nfs/dbraw/zinc/58/39/35/1187583935.db2.gz ZGCVKNXMCJZRAQ-IBGZPJMESA-N 2 2 388.512 0.611 20 0 GCADLP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612780678 1187584554 /nfs/dbraw/zinc/58/45/54/1187584554.db2.gz IISJNSXRVKODQP-LJQANCHMSA-N 2 2 392.544 0.548 20 0 GCADLP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612780677 1187584752 /nfs/dbraw/zinc/58/47/52/1187584752.db2.gz IISJNSXRVKODQP-IBGZPJMESA-N 2 2 392.544 0.548 20 0 GCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000892513652 1187591401 /nfs/dbraw/zinc/59/14/01/1187591401.db2.gz HLPHXRIDEYONAQ-KRWDZBQOSA-N 2 2 390.557 0.824 20 0 GCADLP C[C@@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000133293425 1187591966 /nfs/dbraw/zinc/59/19/66/1187591966.db2.gz DTXHZKXUKAJTSX-WBVHZDCISA-N 2 2 376.505 0.352 20 0 GCADLP C[C@@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133293425 1187591970 /nfs/dbraw/zinc/59/19/70/1187591970.db2.gz DTXHZKXUKAJTSX-WBVHZDCISA-N 2 2 376.505 0.352 20 0 GCADLP C[C@@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000133293854 1187592020 /nfs/dbraw/zinc/59/20/20/1187592020.db2.gz DTXHZKXUKAJTSX-NVXWUHKLSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000133293854 1187592023 /nfs/dbraw/zinc/59/20/23/1187592023.db2.gz DTXHZKXUKAJTSX-NVXWUHKLSA-N 2 2 376.505 0.352 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](CC)[C@@H](C)C3)O2)C[C@H]1C ZINC000612951518 1187624952 /nfs/dbraw/zinc/62/49/52/1187624952.db2.gz FXYNCBZQSKRLOZ-USTZCAOPSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](CC)[C@@H](C)C3)O2)C[C@H]1C ZINC000612951518 1187624955 /nfs/dbraw/zinc/62/49/55/1187624955.db2.gz FXYNCBZQSKRLOZ-USTZCAOPSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](CC)[C@H](C)C3)O2)C[C@@H]1C ZINC000612951518 1187624957 /nfs/dbraw/zinc/62/49/57/1187624957.db2.gz FXYNCBZQSKRLOZ-USTZCAOPSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](CC)[C@H](C)C3)O2)C[C@@H]1C ZINC000612951518 1187624960 /nfs/dbraw/zinc/62/49/60/1187624960.db2.gz FXYNCBZQSKRLOZ-USTZCAOPSA-N 2 2 380.533 0.639 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)[nH]n1 ZINC000613189867 1187694729 /nfs/dbraw/zinc/69/47/29/1187694729.db2.gz ABSCTGCXNDFOIX-LXTVHRRPSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)[nH]n1 ZINC000613189867 1187694731 /nfs/dbraw/zinc/69/47/31/1187694731.db2.gz ABSCTGCXNDFOIX-LXTVHRRPSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)n[nH]1 ZINC000613189867 1187694735 /nfs/dbraw/zinc/69/47/35/1187694735.db2.gz ABSCTGCXNDFOIX-LXTVHRRPSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000613189867 1187694738 /nfs/dbraw/zinc/69/47/38/1187694738.db2.gz ABSCTGCXNDFOIX-LXTVHRRPSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)[nH]n1 ZINC000613189867 1187694740 /nfs/dbraw/zinc/69/47/40/1187694740.db2.gz ABSCTGCXNDFOIX-LXTVHRRPSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)[nH]n1 ZINC000613189867 1187694741 /nfs/dbraw/zinc/69/47/41/1187694741.db2.gz ABSCTGCXNDFOIX-LXTVHRRPSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)n[nH]1 ZINC000613189867 1187694745 /nfs/dbraw/zinc/69/47/45/1187694745.db2.gz ABSCTGCXNDFOIX-LXTVHRRPSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000613189867 1187694748 /nfs/dbraw/zinc/69/47/48/1187694748.db2.gz ABSCTGCXNDFOIX-LXTVHRRPSA-N 2 2 376.505 0.739 20 0 GCADLP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000431770562 1187701811 /nfs/dbraw/zinc/70/18/11/1187701811.db2.gz GEGLQKJAAZJMKQ-RTBURBONSA-N 2 2 388.512 0.729 20 0 GCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)c2)CC1 ZINC000636311634 1187716831 /nfs/dbraw/zinc/71/68/31/1187716831.db2.gz HVGPFMSKKULWTB-CVEARBPZSA-N 2 2 383.456 0.202 20 0 GCADLP C[NH+]1CCN(CC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000613310348 1187718012 /nfs/dbraw/zinc/71/80/12/1187718012.db2.gz PZDSDGMMCPBIHT-UHFFFAOYSA-N 2 2 387.572 0.948 20 0 GCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000892543483 1187741718 /nfs/dbraw/zinc/74/17/18/1187741718.db2.gz FSHJUVJWLPRNAE-IRXDYDNUSA-N 2 2 386.500 0.466 20 0 GCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000892543483 1187741722 /nfs/dbraw/zinc/74/17/22/1187741722.db2.gz FSHJUVJWLPRNAE-IRXDYDNUSA-N 2 2 386.500 0.466 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000332745145 1187759815 /nfs/dbraw/zinc/75/98/15/1187759815.db2.gz FUZIECJTHWECSF-RDJZCZTQSA-N 2 2 388.516 0.044 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000332745145 1187759817 /nfs/dbraw/zinc/75/98/17/1187759817.db2.gz FUZIECJTHWECSF-RDJZCZTQSA-N 2 2 388.516 0.044 20 0 GCADLP COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000376344625 1187779950 /nfs/dbraw/zinc/77/99/50/1187779950.db2.gz SWSKWEHEMXNVOI-INIZCTEOSA-N 2 2 381.521 0.933 20 0 GCADLP COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000376344625 1187779952 /nfs/dbraw/zinc/77/99/52/1187779952.db2.gz SWSKWEHEMXNVOI-INIZCTEOSA-N 2 2 381.521 0.933 20 0 GCADLP C[NH+]1CCC(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000892594452 1187805569 /nfs/dbraw/zinc/80/55/69/1187805569.db2.gz LVBFMRYUUDUAAX-UHFFFAOYSA-N 3 2 381.546 0.465 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000892611205 1187827320 /nfs/dbraw/zinc/82/73/20/1187827320.db2.gz LAGYXJLHHRQLPV-BHIYHBOVSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000892611205 1187827324 /nfs/dbraw/zinc/82/73/24/1187827324.db2.gz LAGYXJLHHRQLPV-BHIYHBOVSA-N 2 2 376.501 0.953 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c2)CC1 ZINC000659090440 1187873569 /nfs/dbraw/zinc/87/35/69/1187873569.db2.gz RXYGYGDDKFIBSH-UHFFFAOYSA-N 2 2 389.500 0.485 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000659113144 1187890917 /nfs/dbraw/zinc/89/09/17/1187890917.db2.gz MQAVFTKKILLVCV-AWEZNQCLSA-N 2 2 375.473 0.013 20 0 GCADLP O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000659130730 1187899723 /nfs/dbraw/zinc/89/97/23/1187899723.db2.gz NYWYCFXPKTYBMO-LJQANCHMSA-N 2 2 392.544 0.787 20 0 GCADLP O=C(C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000659130730 1187899727 /nfs/dbraw/zinc/89/97/27/1187899727.db2.gz NYWYCFXPKTYBMO-LJQANCHMSA-N 2 2 392.544 0.787 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC[N@@H+]1CC(C)(C)O ZINC000659256509 1187921660 /nfs/dbraw/zinc/92/16/60/1187921660.db2.gz RFPUEKMKIDEGQQ-HOTGVXAUSA-N 2 2 377.489 0.350 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC[N@H+]1CC(C)(C)O ZINC000659256509 1187921663 /nfs/dbraw/zinc/92/16/63/1187921663.db2.gz RFPUEKMKIDEGQQ-HOTGVXAUSA-N 2 2 377.489 0.350 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000588258628 1187927843 /nfs/dbraw/zinc/92/78/43/1187927843.db2.gz WPHDIEFLMAEBRS-CVEARBPZSA-N 2 2 382.505 0.073 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000588258628 1187927847 /nfs/dbraw/zinc/92/78/47/1187927847.db2.gz WPHDIEFLMAEBRS-CVEARBPZSA-N 2 2 382.505 0.073 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344785 1187945825 /nfs/dbraw/zinc/94/58/25/1187945825.db2.gz KQXDZUBIZRMBLL-RBUKOAKNSA-N 3 2 391.560 0.310 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344785 1187945829 /nfs/dbraw/zinc/94/58/29/1187945829.db2.gz KQXDZUBIZRMBLL-RBUKOAKNSA-N 3 2 391.560 0.310 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344520 1187945836 /nfs/dbraw/zinc/94/58/36/1187945836.db2.gz BEUQHMGAMSFATD-DLBZAZTESA-N 2 2 382.574 0.967 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344520 1187945841 /nfs/dbraw/zinc/94/58/41/1187945841.db2.gz BEUQHMGAMSFATD-DLBZAZTESA-N 2 2 382.574 0.967 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344511 1187946090 /nfs/dbraw/zinc/94/60/90/1187946090.db2.gz ATSZYULPEVIZNO-RYQLBKOJSA-N 2 2 380.533 0.639 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344511 1187946091 /nfs/dbraw/zinc/94/60/91/1187946091.db2.gz ATSZYULPEVIZNO-RYQLBKOJSA-N 2 2 380.533 0.639 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000659698416 1187999314 /nfs/dbraw/zinc/99/93/14/1187999314.db2.gz YYONVACJAHYZOD-VBNZEHGJSA-N 2 2 382.892 0.552 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659698416 1187999316 /nfs/dbraw/zinc/99/93/16/1187999316.db2.gz YYONVACJAHYZOD-VBNZEHGJSA-N 2 2 382.892 0.552 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000415343311 1188057827 /nfs/dbraw/zinc/05/78/27/1188057827.db2.gz LCNICXDEZDNEFN-MRXNPFEDSA-N 2 2 389.500 0.072 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000415343311 1188057829 /nfs/dbraw/zinc/05/78/29/1188057829.db2.gz LCNICXDEZDNEFN-MRXNPFEDSA-N 2 2 389.500 0.072 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000415369229 1188062510 /nfs/dbraw/zinc/06/25/10/1188062510.db2.gz BMCUSTNTYFFDHK-IBGZPJMESA-N 2 2 387.528 0.973 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000415409132 1188072342 /nfs/dbraw/zinc/07/23/42/1188072342.db2.gz DFBLUXKJBSEZMI-INIZCTEOSA-N 2 2 375.517 0.734 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000415421851 1188077104 /nfs/dbraw/zinc/07/71/04/1188077104.db2.gz YNHCJGMQBHMZPK-HNNXBMFYSA-N 2 2 387.484 0.110 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000415429490 1188079221 /nfs/dbraw/zinc/07/92/21/1188079221.db2.gz IMCZKFSWJBZOJL-OAHLLOKOSA-N 2 2 387.484 0.110 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4cc(=O)[nH]cn4)C3)C2)CC1 ZINC000893024425 1188106014 /nfs/dbraw/zinc/10/60/14/1188106014.db2.gz VFRFEUUKIBAHOF-HUUCEWRRSA-N 2 2 389.504 0.229 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4cc(=O)[nH]cn4)C3)C2)CC1 ZINC000893024425 1188106018 /nfs/dbraw/zinc/10/60/18/1188106018.db2.gz VFRFEUUKIBAHOF-HUUCEWRRSA-N 2 2 389.504 0.229 20 0 GCADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000415619203 1188127868 /nfs/dbraw/zinc/12/78/68/1188127868.db2.gz YFYNHWKCCCWVAR-STQMWFEESA-N 2 2 384.427 0.945 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000415693828 1188140751 /nfs/dbraw/zinc/14/07/51/1188140751.db2.gz QITQBKZGMLOKEW-NRFANRHFSA-N 2 2 387.528 0.960 20 0 GCADLP O=C(CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000377807198 1188142040 /nfs/dbraw/zinc/14/20/40/1188142040.db2.gz OKAFRQYSQJVASW-ZWKOTPCHSA-N 2 2 385.512 0.872 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415747380 1188156759 /nfs/dbraw/zinc/15/67/59/1188156759.db2.gz OPOKAYKTSYGXDB-OALUTQOASA-N 2 2 399.539 0.831 20 0 GCADLP O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000378402842 1189498474 /nfs/dbraw/zinc/49/84/74/1189498474.db2.gz WSTJSEWMGYJGQS-IBGZPJMESA-N 2 2 394.560 0.544 20 0 GCADLP CN(Cc1ccccc1F)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378435296 1189505970 /nfs/dbraw/zinc/50/59/70/1189505970.db2.gz WNVPQKDZAYLHJK-UHFFFAOYSA-N 2 2 379.476 0.943 20 0 GCADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000378442889 1189508610 /nfs/dbraw/zinc/50/86/10/1189508610.db2.gz LIFDEKKLEWQAGF-IXDOHACOSA-N 2 2 396.532 0.955 20 0 GCADLP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363831365 1189511982 /nfs/dbraw/zinc/51/19/82/1189511982.db2.gz YKLYYTLPUIUUIU-FQEVSTJZSA-N 3 2 394.608 0.822 20 0 GCADLP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363831365 1189511987 /nfs/dbraw/zinc/51/19/87/1189511987.db2.gz YKLYYTLPUIUUIU-FQEVSTJZSA-N 3 2 394.608 0.822 20 0 GCADLP COCc1cccc(CNC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000378534975 1189530235 /nfs/dbraw/zinc/53/02/35/1189530235.db2.gz DSHKLSYJRTWNQK-UHFFFAOYSA-N 2 2 391.512 0.608 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)CC1 ZINC000363896120 1189556677 /nfs/dbraw/zinc/55/66/77/1189556677.db2.gz BALXGOWVKDGIQX-CQSZACIVSA-N 2 2 378.477 0.254 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)C2)CC1 ZINC000363901908 1189562067 /nfs/dbraw/zinc/56/20/67/1189562067.db2.gz KFWDKTWZJNKDNB-MRXNPFEDSA-N 2 2 399.495 0.795 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)C2)CC1 ZINC000363901908 1189562073 /nfs/dbraw/zinc/56/20/73/1189562073.db2.gz KFWDKTWZJNKDNB-MRXNPFEDSA-N 2 2 399.495 0.795 20 0 GCADLP C[NH+]1CCC(CNC(=O)N2CC(N3CCCC3=O)C2)([NH+]2CCCCC2)CC1 ZINC000893265341 1189565321 /nfs/dbraw/zinc/56/53/21/1189565321.db2.gz BJCCTKLMPGHCQT-UHFFFAOYSA-N 2 2 377.533 0.953 20 0 GCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000363912208 1189571887 /nfs/dbraw/zinc/57/18/87/1189571887.db2.gz YZGWSLVYZQMIMY-QZTJIDSGSA-N 2 2 381.565 0.765 20 0 GCADLP COC[C@]1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000416803444 1189583689 /nfs/dbraw/zinc/58/36/89/1189583689.db2.gz CFCZFULGGGAIRT-AZUAARDMSA-N 2 2 376.501 0.955 20 0 GCADLP COC[C@]1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000416803444 1189583694 /nfs/dbraw/zinc/58/36/94/1189583694.db2.gz CFCZFULGGGAIRT-AZUAARDMSA-N 2 2 376.501 0.955 20 0 GCADLP CC(C)(CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCOCC1 ZINC000416812200 1189585866 /nfs/dbraw/zinc/58/58/66/1189585866.db2.gz DHWRYJLNEOLZSW-CYBMUJFWSA-N 2 2 381.443 0.233 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000108873395 1189591779 /nfs/dbraw/zinc/59/17/79/1189591779.db2.gz TYFBUDFJNNQFRH-ROUUACIJSA-N 2 2 394.560 0.888 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000511592785 1189600735 /nfs/dbraw/zinc/60/07/35/1189600735.db2.gz HPUYZTHUUWRMRC-HZPDHXFCSA-N 2 2 395.529 0.119 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000511592785 1189600739 /nfs/dbraw/zinc/60/07/39/1189600739.db2.gz HPUYZTHUUWRMRC-HZPDHXFCSA-N 2 2 395.529 0.119 20 0 GCADLP Cc1oc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000363990393 1189604355 /nfs/dbraw/zinc/60/43/55/1189604355.db2.gz IHGVCOHPFJUWDO-CQSZACIVSA-N 2 2 384.502 0.476 20 0 GCADLP Cc1oc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000363990393 1189604356 /nfs/dbraw/zinc/60/43/56/1189604356.db2.gz IHGVCOHPFJUWDO-CQSZACIVSA-N 2 2 384.502 0.476 20 0 GCADLP CNS(=O)(=O)c1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000660165887 1189628578 /nfs/dbraw/zinc/62/85/78/1189628578.db2.gz WUVRIZRQNNRCNI-UHFFFAOYSA-N 2 2 383.514 0.254 20 0 GCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000563062455 1189630305 /nfs/dbraw/zinc/63/03/05/1189630305.db2.gz YRNMVCMNHNBJNZ-HOTGVXAUSA-N 2 2 395.529 0.038 20 0 GCADLP O=C(C[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1)Nc1ccccc1 ZINC000636516757 1189636123 /nfs/dbraw/zinc/63/61/23/1189636123.db2.gz MZGJEYDNVSMORJ-SFHVURJKSA-N 2 2 389.500 0.455 20 0 GCADLP O=C(C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1)Nc1ccccc1 ZINC000636516757 1189636127 /nfs/dbraw/zinc/63/61/27/1189636127.db2.gz MZGJEYDNVSMORJ-SFHVURJKSA-N 2 2 389.500 0.455 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCCO1 ZINC000417297972 1189642773 /nfs/dbraw/zinc/64/27/73/1189642773.db2.gz PIGDFGJZFGHGJM-LJQANCHMSA-N 2 2 392.500 0.657 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417361582 1189652645 /nfs/dbraw/zinc/65/26/45/1189652645.db2.gz CITULKKCZDIFEZ-MRXNPFEDSA-N 2 2 376.505 0.793 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417362161 1189653101 /nfs/dbraw/zinc/65/31/01/1189653101.db2.gz DMBAPEGMVXBRKE-DLBZAZTESA-N 2 2 388.516 0.889 20 0 GCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417362195 1189653286 /nfs/dbraw/zinc/65/32/86/1189653286.db2.gz DMBAPEGMVXBRKE-SJORKVTESA-N 2 2 388.516 0.889 20 0 GCADLP O=C(NCCC[C@H]1CCC[NH2+]1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417370059 1189654635 /nfs/dbraw/zinc/65/46/35/1189654635.db2.gz SDQSEOYPEPJMFM-QGZVFWFLSA-N 2 2 388.516 0.952 20 0 GCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000584768639 1189657902 /nfs/dbraw/zinc/65/79/02/1189657902.db2.gz QZFNLXJDDHGKFJ-IAGOWNOFSA-N 2 2 382.549 0.933 20 0 GCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000584768639 1189657904 /nfs/dbraw/zinc/65/79/04/1189657904.db2.gz QZFNLXJDDHGKFJ-IAGOWNOFSA-N 2 2 382.549 0.933 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC000584826980 1189682082 /nfs/dbraw/zinc/68/20/82/1189682082.db2.gz QKKKBEIFZXNUND-BRWVUGGUSA-N 2 2 382.505 0.376 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@@H+](C)C1 ZINC000584826980 1189682084 /nfs/dbraw/zinc/68/20/84/1189682084.db2.gz QKKKBEIFZXNUND-BRWVUGGUSA-N 2 2 382.505 0.376 20 0 GCADLP O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417618329 1189690014 /nfs/dbraw/zinc/69/00/14/1189690014.db2.gz GKQZZNURAIRESY-HZPDHXFCSA-N 2 2 389.504 0.333 20 0 GCADLP O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417618329 1189690018 /nfs/dbraw/zinc/69/00/18/1189690018.db2.gz GKQZZNURAIRESY-HZPDHXFCSA-N 2 2 389.504 0.333 20 0 GCADLP CC[NH2+]CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417617272 1189690268 /nfs/dbraw/zinc/69/02/68/1189690268.db2.gz FHDPTFFWMOUWSA-HNNXBMFYSA-N 2 2 377.493 0.191 20 0 GCADLP CC[NH2+]CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417617272 1189690269 /nfs/dbraw/zinc/69/02/69/1189690269.db2.gz FHDPTFFWMOUWSA-HNNXBMFYSA-N 2 2 377.493 0.191 20 0 GCADLP [NH3+][C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000417614724 1189690791 /nfs/dbraw/zinc/69/07/91/1189690791.db2.gz BNKRTLMPFYRQIC-HZPDHXFCSA-N 2 2 389.504 0.415 20 0 GCADLP [NH3+][C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000417614724 1189690797 /nfs/dbraw/zinc/69/07/97/1189690797.db2.gz BNKRTLMPFYRQIC-HZPDHXFCSA-N 2 2 389.504 0.415 20 0 GCADLP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417613648 1189691161 /nfs/dbraw/zinc/69/11/61/1189691161.db2.gz AAFCOGOPWAZLFJ-JKSUJKDBSA-N 2 2 389.504 0.333 20 0 GCADLP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417613648 1189691166 /nfs/dbraw/zinc/69/11/66/1189691166.db2.gz AAFCOGOPWAZLFJ-JKSUJKDBSA-N 2 2 389.504 0.333 20 0 GCADLP CN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC([NH3+])C1 ZINC000417624943 1189692146 /nfs/dbraw/zinc/69/21/46/1189692146.db2.gz OVCYNELPPJPHON-HWOWSKLDSA-N 2 2 389.504 0.413 20 0 GCADLP CN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC([NH3+])C1 ZINC000417624943 1189692151 /nfs/dbraw/zinc/69/21/51/1189692151.db2.gz OVCYNELPPJPHON-HWOWSKLDSA-N 2 2 389.504 0.413 20 0 GCADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417627647 1189692568 /nfs/dbraw/zinc/69/25/68/1189692568.db2.gz SNYALKDVANXLMV-HZPDHXFCSA-N 2 2 389.504 0.415 20 0 GCADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417627647 1189692576 /nfs/dbraw/zinc/69/25/76/1189692576.db2.gz SNYALKDVANXLMV-HZPDHXFCSA-N 2 2 389.504 0.415 20 0 GCADLP [NH3+]C[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000417626291 1189693260 /nfs/dbraw/zinc/69/32/60/1189693260.db2.gz QXGGPALGNJIJQS-CVEARBPZSA-N 2 2 389.504 0.319 20 0 GCADLP [NH3+]C[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000417626291 1189693262 /nfs/dbraw/zinc/69/32/62/1189693262.db2.gz QXGGPALGNJIJQS-CVEARBPZSA-N 2 2 389.504 0.319 20 0 GCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])nc[nH+]1 ZINC000417779178 1189704335 /nfs/dbraw/zinc/70/43/35/1189704335.db2.gz UNOOCFHZEOWITL-KFWWJZLASA-N 2 2 377.493 0.635 20 0 GCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])[nH+]cn1 ZINC000417779178 1189704336 /nfs/dbraw/zinc/70/43/36/1189704336.db2.gz UNOOCFHZEOWITL-KFWWJZLASA-N 2 2 377.493 0.635 20 0 GCADLP CN1CC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000636535467 1189712188 /nfs/dbraw/zinc/71/21/88/1189712188.db2.gz DEHRXRNAJDJADM-IBGZPJMESA-N 2 2 375.517 0.300 20 0 GCADLP CN1CC[NH+](Cc2ccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000636535467 1189712193 /nfs/dbraw/zinc/71/21/93/1189712193.db2.gz DEHRXRNAJDJADM-IBGZPJMESA-N 2 2 375.517 0.300 20 0 GCADLP CCN1C(=O)[C@H]2C[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CCN2C1=O ZINC000364281549 1189730770 /nfs/dbraw/zinc/73/07/70/1189730770.db2.gz MKZMCWBSQVKMOV-IAGOWNOFSA-N 2 2 387.484 0.374 20 0 GCADLP CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CCN2C1=O ZINC000364281549 1189730775 /nfs/dbraw/zinc/73/07/75/1189730775.db2.gz MKZMCWBSQVKMOV-IAGOWNOFSA-N 2 2 387.484 0.374 20 0 GCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660446785 1189820984 /nfs/dbraw/zinc/82/09/84/1189820984.db2.gz JUZOGJSFPCXKKJ-PKOBYXMFSA-N 2 2 398.573 0.747 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000431990891 1189829958 /nfs/dbraw/zinc/82/99/58/1189829958.db2.gz ITPIRMDNCZCNDL-HNNXBMFYSA-N 2 2 387.484 0.766 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000431990891 1189829967 /nfs/dbraw/zinc/82/99/67/1189829967.db2.gz ITPIRMDNCZCNDL-HNNXBMFYSA-N 2 2 387.484 0.766 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660487576 1189855157 /nfs/dbraw/zinc/85/51/57/1189855157.db2.gz QBLCUZGOLBODSE-SFHVURJKSA-N 2 2 388.516 0.450 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)O1 ZINC000974633826 1189858280 /nfs/dbraw/zinc/85/82/80/1189858280.db2.gz PKMLGVFWUKAICB-QBPKDAKJSA-N 2 2 375.473 0.052 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)O1 ZINC000974633826 1189858288 /nfs/dbraw/zinc/85/82/88/1189858288.db2.gz PKMLGVFWUKAICB-QBPKDAKJSA-N 2 2 375.473 0.052 20 0 GCADLP CCCCn1nccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364760424 1189871956 /nfs/dbraw/zinc/87/19/56/1189871956.db2.gz VRSDXDIQDCGJAK-OAHLLOKOSA-N 2 2 376.505 0.906 20 0 GCADLP CCCCn1nccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364760424 1189871960 /nfs/dbraw/zinc/87/19/60/1189871960.db2.gz VRSDXDIQDCGJAK-OAHLLOKOSA-N 2 2 376.505 0.906 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000660532527 1189889034 /nfs/dbraw/zinc/88/90/34/1189889034.db2.gz QDQPQHVOGFVYNF-DLBZAZTESA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000660532527 1189889037 /nfs/dbraw/zinc/88/90/37/1189889037.db2.gz QDQPQHVOGFVYNF-DLBZAZTESA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000660532527 1189889040 /nfs/dbraw/zinc/88/90/40/1189889040.db2.gz QDQPQHVOGFVYNF-DLBZAZTESA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000660532527 1189889043 /nfs/dbraw/zinc/88/90/43/1189889043.db2.gz QDQPQHVOGFVYNF-DLBZAZTESA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000660535882 1189893021 /nfs/dbraw/zinc/89/30/21/1189893021.db2.gz POLQDHGWAUGFHC-XDNAFOTISA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000660535882 1189893027 /nfs/dbraw/zinc/89/30/27/1189893027.db2.gz POLQDHGWAUGFHC-XDNAFOTISA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000660535882 1189893033 /nfs/dbraw/zinc/89/30/33/1189893033.db2.gz POLQDHGWAUGFHC-XDNAFOTISA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000660535882 1189893047 /nfs/dbraw/zinc/89/30/47/1189893047.db2.gz POLQDHGWAUGFHC-XDNAFOTISA-N 2 2 380.533 0.497 20 0 GCADLP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)cn1 ZINC000652129078 1189906867 /nfs/dbraw/zinc/90/68/67/1189906867.db2.gz VHYKKUKEKAMIOH-IBGZPJMESA-N 2 2 398.511 0.769 20 0 GCADLP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)cn1 ZINC000652129078 1189906868 /nfs/dbraw/zinc/90/68/68/1189906868.db2.gz VHYKKUKEKAMIOH-IBGZPJMESA-N 2 2 398.511 0.769 20 0 GCADLP CCC[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)OCC ZINC000636639722 1189918940 /nfs/dbraw/zinc/91/89/40/1189918940.db2.gz JFLWLKVYGLYXGJ-GOSISDBHSA-N 2 2 382.549 0.983 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2)CC1 ZINC000660713382 1189939363 /nfs/dbraw/zinc/93/93/63/1189939363.db2.gz RQCDUJDYDJEZSK-SJLPKXTDSA-N 2 2 392.548 0.744 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2)CC1 ZINC000660713382 1189939368 /nfs/dbraw/zinc/93/93/68/1189939368.db2.gz RQCDUJDYDJEZSK-SJLPKXTDSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)O1 ZINC000975779227 1189974508 /nfs/dbraw/zinc/97/45/08/1189974508.db2.gz FNJFLSNMDIGMPJ-VSZNYVQBSA-N 2 2 389.500 0.442 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)O1 ZINC000975779227 1189974512 /nfs/dbraw/zinc/97/45/12/1189974512.db2.gz FNJFLSNMDIGMPJ-VSZNYVQBSA-N 2 2 389.500 0.442 20 0 GCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661008399 1189980215 /nfs/dbraw/zinc/98/02/15/1189980215.db2.gz BSSKQAWYOXGZEF-VQTJNVASSA-N 2 2 388.512 0.869 20 0 GCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661008399 1189980216 /nfs/dbraw/zinc/98/02/16/1189980216.db2.gz BSSKQAWYOXGZEF-VQTJNVASSA-N 2 2 388.512 0.869 20 0 GCADLP C[C@H](O)CN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661065779 1189986085 /nfs/dbraw/zinc/98/60/85/1189986085.db2.gz FMCBCLGIULSSIM-RYQLBKOJSA-N 2 2 382.549 0.621 20 0 GCADLP C[C@H](O)CN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661065779 1189986088 /nfs/dbraw/zinc/98/60/88/1189986088.db2.gz FMCBCLGIULSSIM-RYQLBKOJSA-N 2 2 382.549 0.621 20 0 GCADLP CN(C(=O)C(=O)N1CCOCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661066001 1189986235 /nfs/dbraw/zinc/98/62/35/1189986235.db2.gz VHUGPJWIHBGTJC-ROUUACIJSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)C(=O)N1CCOCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661066001 1189986237 /nfs/dbraw/zinc/98/62/37/1189986237.db2.gz VHUGPJWIHBGTJC-ROUUACIJSA-N 2 2 380.533 0.641 20 0 GCADLP C[C@H](O)CN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661065781 1189986515 /nfs/dbraw/zinc/98/65/15/1189986515.db2.gz FMCBCLGIULSSIM-SZMVWBNQSA-N 2 2 382.549 0.621 20 0 GCADLP C[C@H](O)CN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661065781 1189986517 /nfs/dbraw/zinc/98/65/17/1189986517.db2.gz FMCBCLGIULSSIM-SZMVWBNQSA-N 2 2 382.549 0.621 20 0 GCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662851099 1190053564 /nfs/dbraw/zinc/05/35/64/1190053564.db2.gz WKUQVIAUKRJALE-QRVBRYPASA-N 2 2 386.496 0.357 20 0 GCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662851099 1190053569 /nfs/dbraw/zinc/05/35/69/1190053569.db2.gz WKUQVIAUKRJALE-QRVBRYPASA-N 2 2 386.496 0.357 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000976697796 1190058457 /nfs/dbraw/zinc/05/84/57/1190058457.db2.gz GJPFKHOMJHVKQD-MWQQHZPXSA-N 2 2 377.489 0.454 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000976697796 1190058460 /nfs/dbraw/zinc/05/84/60/1190058460.db2.gz GJPFKHOMJHVKQD-MWQQHZPXSA-N 2 2 377.489 0.454 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)CO1 ZINC000663915684 1193725461 /nfs/dbraw/zinc/72/54/61/1193725461.db2.gz GWXHHYCMVQBNIW-BBWFWOEESA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)CO1 ZINC000663915684 1193725464 /nfs/dbraw/zinc/72/54/64/1193725464.db2.gz GWXHHYCMVQBNIW-BBWFWOEESA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)CO1 ZINC000663915684 1193725467 /nfs/dbraw/zinc/72/54/67/1193725467.db2.gz GWXHHYCMVQBNIW-BBWFWOEESA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)CO1 ZINC000663915684 1193725471 /nfs/dbraw/zinc/72/54/71/1193725471.db2.gz GWXHHYCMVQBNIW-BBWFWOEESA-N 2 2 383.537 0.338 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000512666757 1193730359 /nfs/dbraw/zinc/73/03/59/1193730359.db2.gz MBMGQTNCEWQYEZ-IAGOWNOFSA-N 2 2 388.578 0.869 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000512666757 1193730360 /nfs/dbraw/zinc/73/03/60/1193730360.db2.gz MBMGQTNCEWQYEZ-IAGOWNOFSA-N 2 2 388.578 0.869 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)CC2 ZINC000419228989 1193739117 /nfs/dbraw/zinc/73/91/17/1193739117.db2.gz HARGPRMABJYNGQ-MRXNPFEDSA-N 2 2 390.484 0.128 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)CC2 ZINC000419228989 1193739118 /nfs/dbraw/zinc/73/91/18/1193739118.db2.gz HARGPRMABJYNGQ-MRXNPFEDSA-N 2 2 390.484 0.128 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)CC2 ZINC000419231711 1193739800 /nfs/dbraw/zinc/73/98/00/1193739800.db2.gz KAZJHFAZTAPDJC-INIZCTEOSA-N 2 2 390.484 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)CC2 ZINC000419231711 1193739803 /nfs/dbraw/zinc/73/98/03/1193739803.db2.gz KAZJHFAZTAPDJC-INIZCTEOSA-N 2 2 390.484 0.032 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2cccc(F)c2)O1 ZINC001087456459 1193743665 /nfs/dbraw/zinc/74/36/65/1193743665.db2.gz YILVLAYWOXRUEW-UTRMSSBJSA-N 2 2 379.476 0.811 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2cccc(F)c2)O1 ZINC001087456459 1193743668 /nfs/dbraw/zinc/74/36/68/1193743668.db2.gz YILVLAYWOXRUEW-UTRMSSBJSA-N 2 2 379.476 0.811 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2cccc(F)c2)O1 ZINC001087456459 1193743671 /nfs/dbraw/zinc/74/36/71/1193743671.db2.gz YILVLAYWOXRUEW-UTRMSSBJSA-N 2 2 379.476 0.811 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2cccc(F)c2)O1 ZINC001087456459 1193743674 /nfs/dbraw/zinc/74/36/74/1193743674.db2.gz YILVLAYWOXRUEW-UTRMSSBJSA-N 2 2 379.476 0.811 20 0 GCADLP COc1ncc(I)cc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211757830 1193744220 /nfs/dbraw/zinc/74/42/20/1193744220.db2.gz SOKLTCWWCMFRSR-IUCAKERBSA-N 2 2 387.181 0.759 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)CC2 ZINC000419247890 1193761805 /nfs/dbraw/zinc/76/18/05/1193761805.db2.gz XHGVKHSYNWNZST-INIZCTEOSA-N 2 2 390.484 0.046 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)CC2 ZINC000419247890 1193761806 /nfs/dbraw/zinc/76/18/06/1193761806.db2.gz XHGVKHSYNWNZST-INIZCTEOSA-N 2 2 390.484 0.046 20 0 GCADLP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000433137316 1193762721 /nfs/dbraw/zinc/76/27/21/1193762721.db2.gz SSWIBAPEKNGNBE-UHFFFAOYSA-N 3 2 379.549 0.346 20 0 GCADLP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000433137316 1193762724 /nfs/dbraw/zinc/76/27/24/1193762724.db2.gz SSWIBAPEKNGNBE-UHFFFAOYSA-N 3 2 379.549 0.346 20 0 GCADLP [NH3+][C@@H](CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000419266624 1193777130 /nfs/dbraw/zinc/77/71/30/1193777130.db2.gz HEOWFGHPPPMWCG-FQEVSTJZSA-N 2 2 396.491 0.951 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247875381 1193826397 /nfs/dbraw/zinc/82/63/97/1193826397.db2.gz YLJIQUUHKFXQLX-AKHDSKFASA-N 2 2 381.565 0.906 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247875381 1193826402 /nfs/dbraw/zinc/82/64/02/1193826402.db2.gz YLJIQUUHKFXQLX-AKHDSKFASA-N 2 2 381.565 0.906 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000419344039 1193837155 /nfs/dbraw/zinc/83/71/55/1193837155.db2.gz RNQGUZKEUUQXNO-KRWDZBQOSA-N 2 2 387.528 0.261 20 0 GCADLP CN(c1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000664085796 1193844689 /nfs/dbraw/zinc/84/46/89/1193844689.db2.gz HATLQMLHMLMZNU-UHFFFAOYSA-N 2 2 399.561 0.765 20 0 GCADLP CN(c1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000664085796 1193844696 /nfs/dbraw/zinc/84/46/96/1193844696.db2.gz HATLQMLHMLMZNU-UHFFFAOYSA-N 2 2 399.561 0.765 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](CN4CCCC4=O)C3)C2)CC1 ZINC000664129884 1193856917 /nfs/dbraw/zinc/85/69/17/1193856917.db2.gz KAXBACFRKMPXOX-SJORKVTESA-N 2 2 377.533 0.809 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](CN4CCCC4=O)C3)C2)CC1 ZINC000664129884 1193856919 /nfs/dbraw/zinc/85/69/19/1193856919.db2.gz KAXBACFRKMPXOX-SJORKVTESA-N 2 2 377.533 0.809 20 0 GCADLP Cn1ccnc1[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129329 1193857361 /nfs/dbraw/zinc/85/73/61/1193857361.db2.gz FEOWXOOWELQFBC-RDJZCZTQSA-N 2 2 392.548 0.947 20 0 GCADLP Cn1ccnc1[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129329 1193857363 /nfs/dbraw/zinc/85/73/63/1193857363.db2.gz FEOWXOOWELQFBC-RDJZCZTQSA-N 2 2 392.548 0.947 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000419392473 1193919045 /nfs/dbraw/zinc/91/90/45/1193919045.db2.gz OJFIGDFHODZROZ-IXDOHACOSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000419392473 1193919048 /nfs/dbraw/zinc/91/90/48/1193919048.db2.gz OJFIGDFHODZROZ-IXDOHACOSA-N 2 2 394.903 0.696 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419392536 1193919151 /nfs/dbraw/zinc/91/91/51/1193919151.db2.gz OMPHVLJHRVXEMV-JQFCIGGWSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419392536 1193919152 /nfs/dbraw/zinc/91/91/52/1193919152.db2.gz OMPHVLJHRVXEMV-JQFCIGGWSA-N 2 2 394.903 0.648 20 0 GCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000261826650 1193928015 /nfs/dbraw/zinc/92/80/15/1193928015.db2.gz YPLRHCMUCJMESU-IBGZPJMESA-N 2 2 382.512 0.954 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[C@@H](C)O1 ZINC000333402627 1193928647 /nfs/dbraw/zinc/92/86/47/1193928647.db2.gz QFDUIVQBLZAMQI-BRWVUGGUSA-N 2 2 395.548 0.480 20 0 GCADLP CCn1c(N)c(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(=O)[nH]c1=O ZINC000052713697 1193932478 /nfs/dbraw/zinc/93/24/78/1193932478.db2.gz FFACHNDSVPWFJX-UHFFFAOYSA-N 2 2 391.516 0.909 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000333428205 1193938281 /nfs/dbraw/zinc/93/82/81/1193938281.db2.gz JELRXRPHHZNHGA-UHFFFAOYSA-N 2 2 376.505 1.307 20 0 GCADLP COCC1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CC[NH2+]CC1 ZINC000262353793 1193945728 /nfs/dbraw/zinc/94/57/28/1193945728.db2.gz JAHZLKHPAJEPPH-GOSISDBHSA-N 2 2 391.512 0.587 20 0 GCADLP C[NH2+][C@@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)c1cnn(C)c1 ZINC000262364661 1193946227 /nfs/dbraw/zinc/94/62/27/1193946227.db2.gz KWMPLLLGVSYVAV-LJQANCHMSA-N 2 2 387.484 0.708 20 0 GCADLP [NH3+]CCc1nc(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cs1 ZINC000262361300 1193946266 /nfs/dbraw/zinc/94/62/66/1193946266.db2.gz KIMDDYNOMWTHQJ-HNNXBMFYSA-N 2 2 390.509 0.842 20 0 GCADLP C[NH2+][C@@H](C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000262435608 1193948325 /nfs/dbraw/zinc/94/83/25/1193948325.db2.gz UGYKFKBYOIWOAT-GOSISDBHSA-N 2 2 384.484 0.385 20 0 GCADLP C[NH2+][C@@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000262470551 1193948884 /nfs/dbraw/zinc/94/88/84/1193948884.db2.gz YGTCBXDTXDIERZ-LJQANCHMSA-N 2 2 384.484 0.141 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000433949463 1193962375 /nfs/dbraw/zinc/96/23/75/1193962375.db2.gz QWEYBRCNONLYRM-UHFFFAOYSA-N 2 2 397.564 0.729 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000433949463 1193962377 /nfs/dbraw/zinc/96/23/77/1193962377.db2.gz QWEYBRCNONLYRM-UHFFFAOYSA-N 2 2 397.564 0.729 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000513603807 1193966222 /nfs/dbraw/zinc/96/62/22/1193966222.db2.gz RRNNOYPBBKCOIP-KURKYZTESA-N 2 2 394.560 0.791 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000513603807 1193966227 /nfs/dbraw/zinc/96/62/27/1193966227.db2.gz RRNNOYPBBKCOIP-KURKYZTESA-N 2 2 394.560 0.791 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000513603806 1193966412 /nfs/dbraw/zinc/96/64/12/1193966412.db2.gz RRNNOYPBBKCOIP-KSZLIROESA-N 2 2 394.560 0.791 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000513603806 1193966413 /nfs/dbraw/zinc/96/64/13/1193966413.db2.gz RRNNOYPBBKCOIP-KSZLIROESA-N 2 2 394.560 0.791 20 0 GCADLP C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000664218569 1193970425 /nfs/dbraw/zinc/97/04/25/1193970425.db2.gz FDPNNJIQXUVHLY-RBUKOAKNSA-N 2 2 381.565 0.766 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000419397307 1194018328 /nfs/dbraw/zinc/01/83/28/1194018328.db2.gz XHAFTWBAASSTKK-DLBZAZTESA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000419397307 1194018333 /nfs/dbraw/zinc/01/83/33/1194018333.db2.gz XHAFTWBAASSTKK-DLBZAZTESA-N 2 2 394.903 0.778 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419404527 1194021157 /nfs/dbraw/zinc/02/11/57/1194021157.db2.gz TXMQTSLOBPGRDR-NVXWUHKLSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419404527 1194021163 /nfs/dbraw/zinc/02/11/63/1194021163.db2.gz TXMQTSLOBPGRDR-NVXWUHKLSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419405316 1194021607 /nfs/dbraw/zinc/02/16/07/1194021607.db2.gz UXJLGEGJSLNJPN-JFIYKMOQSA-N 2 2 390.553 0.929 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419405316 1194021612 /nfs/dbraw/zinc/02/16/12/1194021612.db2.gz UXJLGEGJSLNJPN-JFIYKMOQSA-N 2 2 390.553 0.929 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421852 1194023427 /nfs/dbraw/zinc/02/34/27/1194023427.db2.gz WILCBQVMUMCOTJ-QXAKKESOSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421852 1194023429 /nfs/dbraw/zinc/02/34/29/1194023429.db2.gz WILCBQVMUMCOTJ-QXAKKESOSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000419423009 1194024903 /nfs/dbraw/zinc/02/49/03/1194024903.db2.gz RJNUXXBLBYJUSY-SFHVURJKSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000419423009 1194024910 /nfs/dbraw/zinc/02/49/10/1194024910.db2.gz RJNUXXBLBYJUSY-SFHVURJKSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000419423008 1194025599 /nfs/dbraw/zinc/02/55/99/1194025599.db2.gz RJNUXXBLBYJUSY-GOSISDBHSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000419423008 1194025604 /nfs/dbraw/zinc/02/56/04/1194025604.db2.gz RJNUXXBLBYJUSY-GOSISDBHSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419450754 1194037119 /nfs/dbraw/zinc/03/71/19/1194037119.db2.gz MCPBKZWXWFOMLB-SQNIBIBYSA-N 2 2 387.528 0.522 20 0 GCADLP CC(C)C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000501036988 1194042373 /nfs/dbraw/zinc/04/23/73/1194042373.db2.gz OVELOJBHRJJTJD-QGZVFWFLSA-N 2 2 383.537 0.197 20 0 GCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419504945 1194046566 /nfs/dbraw/zinc/04/65/66/1194046566.db2.gz KZJBDOSMYQZSKL-MRXNPFEDSA-N 2 2 391.491 0.180 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000419503714 1194046824 /nfs/dbraw/zinc/04/68/24/1194046824.db2.gz IEKHJELAQSLPSS-UHFFFAOYSA-N 2 2 389.475 0.100 20 0 GCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419505235 1194047275 /nfs/dbraw/zinc/04/72/75/1194047275.db2.gz LJAAANPIBJRULP-HXUWFJFHSA-N 2 2 391.491 0.261 20 0 GCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419506672 1194047380 /nfs/dbraw/zinc/04/73/80/1194047380.db2.gz NSAWQNGPBOSLPV-UHFFFAOYSA-N 2 2 393.507 0.507 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419486853 1194048856 /nfs/dbraw/zinc/04/88/56/1194048856.db2.gz AJEMFMWAESEFAW-KRWDZBQOSA-N 2 2 379.480 0.163 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419510351 1194050470 /nfs/dbraw/zinc/05/04/70/1194050470.db2.gz UDHDNTPPFOFWEM-CQSZACIVSA-N 2 2 383.443 0.024 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH3+] ZINC000419512906 1194050755 /nfs/dbraw/zinc/05/07/55/1194050755.db2.gz YDHLRIQMBRYCGJ-MAUKXSAKSA-N 2 2 391.491 0.260 20 0 GCADLP [NH3+]C1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000419513249 1194051930 /nfs/dbraw/zinc/05/19/30/1194051930.db2.gz YTLQOVAOKGVTLL-UHFFFAOYSA-N 2 2 391.491 0.450 20 0 GCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419692401 1194086440 /nfs/dbraw/zinc/08/64/40/1194086440.db2.gz YEYYOVHKDPRIKK-KRWDZBQOSA-N 3 2 398.511 0.498 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC[NH2+]1 ZINC000419725380 1194088500 /nfs/dbraw/zinc/08/85/00/1194088500.db2.gz RYEWTVMHSMXLIV-ZDUSSCGKSA-N 2 2 380.439 0.866 20 0 GCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419727835 1194088968 /nfs/dbraw/zinc/08/89/68/1194088968.db2.gz XCEARLRSQNHIAJ-UHFFFAOYSA-N 2 2 390.381 0.756 20 0 GCADLP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NCC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000419826306 1194111088 /nfs/dbraw/zinc/11/10/88/1194111088.db2.gz QYPVAXQQTQMVFF-KBPBESRZSA-N 2 2 398.454 0.622 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419848188 1194113593 /nfs/dbraw/zinc/11/35/93/1194113593.db2.gz UCLPRFMNSFPILT-MSOLQXFVSA-N 3 2 381.565 0.508 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419848188 1194113594 /nfs/dbraw/zinc/11/35/94/1194113594.db2.gz UCLPRFMNSFPILT-MSOLQXFVSA-N 3 2 381.565 0.508 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419896982 1194135891 /nfs/dbraw/zinc/13/58/91/1194135891.db2.gz VEJHSLSZXOOMQJ-MSOLQXFVSA-N 3 2 381.565 0.508 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419896982 1194135895 /nfs/dbraw/zinc/13/58/95/1194135895.db2.gz VEJHSLSZXOOMQJ-MSOLQXFVSA-N 3 2 381.565 0.508 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000419898130 1194136517 /nfs/dbraw/zinc/13/65/17/1194136517.db2.gz AZZCNNBLLXTDIY-UHFFFAOYSA-N 2 2 376.505 0.673 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419973241 1194150179 /nfs/dbraw/zinc/15/01/79/1194150179.db2.gz HKFCZDHZCGBDHC-WDSOQIARSA-N 3 2 395.592 0.754 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419973241 1194150180 /nfs/dbraw/zinc/15/01/80/1194150180.db2.gz HKFCZDHZCGBDHC-WDSOQIARSA-N 3 2 395.592 0.754 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419996065 1194154628 /nfs/dbraw/zinc/15/46/28/1194154628.db2.gz MYAGYUYLVRQAEV-KBAYOESNSA-N 3 2 381.565 0.636 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419996065 1194154630 /nfs/dbraw/zinc/15/46/30/1194154630.db2.gz MYAGYUYLVRQAEV-KBAYOESNSA-N 3 2 381.565 0.636 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420028286 1194159517 /nfs/dbraw/zinc/15/95/17/1194159517.db2.gz DDMCISIDDVFHAZ-JFIYKMOQSA-N 2 2 388.512 0.949 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420028286 1194159520 /nfs/dbraw/zinc/15/95/20/1194159520.db2.gz DDMCISIDDVFHAZ-JFIYKMOQSA-N 2 2 388.512 0.949 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000420028283 1194159884 /nfs/dbraw/zinc/15/98/84/1194159884.db2.gz DDMCISIDDVFHAZ-BQFCYCMXSA-N 2 2 388.512 0.949 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000420028283 1194159887 /nfs/dbraw/zinc/15/98/87/1194159887.db2.gz DDMCISIDDVFHAZ-BQFCYCMXSA-N 2 2 388.512 0.949 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420019559 1194163330 /nfs/dbraw/zinc/16/33/30/1194163330.db2.gz RFJGANLNJUXOHW-QRVBRYPASA-N 3 2 395.592 0.882 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420019559 1194163333 /nfs/dbraw/zinc/16/33/33/1194163333.db2.gz RFJGANLNJUXOHW-QRVBRYPASA-N 3 2 395.592 0.882 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC[NH2+]C2CCCCCC2)C[C@H](C)O1 ZINC000420042277 1194167003 /nfs/dbraw/zinc/16/70/03/1194167003.db2.gz NELQPJNIEJVPAX-CALCHBBNSA-N 2 2 382.549 0.983 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC[NH2+]C2CCCCCC2)C[C@H](C)O1 ZINC000420042277 1194167006 /nfs/dbraw/zinc/16/70/06/1194167006.db2.gz NELQPJNIEJVPAX-CALCHBBNSA-N 2 2 382.549 0.983 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420046373 1194168188 /nfs/dbraw/zinc/16/81/88/1194168188.db2.gz AAOGJNJDFBJKGB-IRXDYDNUSA-N 3 2 381.565 0.636 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420046373 1194168190 /nfs/dbraw/zinc/16/81/90/1194168190.db2.gz AAOGJNJDFBJKGB-IRXDYDNUSA-N 3 2 381.565 0.636 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000420109276 1194180749 /nfs/dbraw/zinc/18/07/49/1194180749.db2.gz YUNPVYOXFAYFCH-PBHICJAKSA-N 2 2 380.439 0.691 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000420134805 1194184011 /nfs/dbraw/zinc/18/40/11/1194184011.db2.gz UZWJCXNJMQZIMT-GDBMZVCRSA-N 2 2 388.516 0.814 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000420134815 1194184780 /nfs/dbraw/zinc/18/47/80/1194184780.db2.gz UZWJCXNJMQZIMT-ZBFHGGJFSA-N 2 2 388.516 0.814 20 0 GCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159023 1194191308 /nfs/dbraw/zinc/19/13/08/1194191308.db2.gz HOJLLERXJQWRGO-DLBZAZTESA-N 2 2 380.533 0.450 20 0 GCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159023 1194191309 /nfs/dbraw/zinc/19/13/09/1194191309.db2.gz HOJLLERXJQWRGO-DLBZAZTESA-N 2 2 380.533 0.450 20 0 GCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000420153129 1194194606 /nfs/dbraw/zinc/19/46/06/1194194606.db2.gz ASRSUHZETQWOBC-IAGOWNOFSA-N 2 2 380.533 0.594 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171516 1194200387 /nfs/dbraw/zinc/20/03/87/1194200387.db2.gz UBUNXGBJBRMKAN-QGZVFWFLSA-N 3 2 381.565 0.365 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171516 1194200391 /nfs/dbraw/zinc/20/03/91/1194200391.db2.gz UBUNXGBJBRMKAN-QGZVFWFLSA-N 3 2 381.565 0.365 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000420221025 1194209734 /nfs/dbraw/zinc/20/97/34/1194209734.db2.gz ZQDFJLUIBGNZIK-JKSUJKDBSA-N 2 2 388.516 0.801 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501638876 1194217464 /nfs/dbraw/zinc/21/74/64/1194217464.db2.gz KOIUVXNRLDAXCQ-IBGZPJMESA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501638876 1194217468 /nfs/dbraw/zinc/21/74/68/1194217468.db2.gz KOIUVXNRLDAXCQ-IBGZPJMESA-N 2 2 394.560 0.936 20 0 GCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501644618 1194218183 /nfs/dbraw/zinc/21/81/83/1194218183.db2.gz XQXHLOGDGWJUPQ-ZWKOTPCHSA-N 2 2 380.533 0.282 20 0 GCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501644618 1194218186 /nfs/dbraw/zinc/21/81/86/1194218186.db2.gz XQXHLOGDGWJUPQ-ZWKOTPCHSA-N 2 2 380.533 0.282 20 0 GCADLP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000420352169 1194223767 /nfs/dbraw/zinc/22/37/67/1194223767.db2.gz YWNFETCENBQBRE-HIFRSBDPSA-N 2 2 378.498 0.620 20 0 GCADLP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000420352169 1194223770 /nfs/dbraw/zinc/22/37/70/1194223770.db2.gz YWNFETCENBQBRE-HIFRSBDPSA-N 2 2 378.498 0.620 20 0 GCADLP COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000420352170 1194223804 /nfs/dbraw/zinc/22/38/04/1194223804.db2.gz YWNFETCENBQBRE-UKRRQHHQSA-N 2 2 378.498 0.620 20 0 GCADLP COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000420352170 1194223808 /nfs/dbraw/zinc/22/38/08/1194223808.db2.gz YWNFETCENBQBRE-UKRRQHHQSA-N 2 2 378.498 0.620 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420390641 1194226568 /nfs/dbraw/zinc/22/65/68/1194226568.db2.gz ACBAHXGDHJRBQF-NFAWXSAZSA-N 2 2 380.514 0.528 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420390641 1194226573 /nfs/dbraw/zinc/22/65/73/1194226573.db2.gz ACBAHXGDHJRBQF-NFAWXSAZSA-N 2 2 380.514 0.528 20 0 GCADLP CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000420402814 1194228611 /nfs/dbraw/zinc/22/86/11/1194228611.db2.gz JOQQTWLNBQTSCT-UHFFFAOYSA-N 2 2 398.529 0.441 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000420408180 1194229108 /nfs/dbraw/zinc/22/91/08/1194229108.db2.gz PDKXLQVDXWTWCS-APWZRJJASA-N 2 2 388.512 0.692 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000420408180 1194229112 /nfs/dbraw/zinc/22/91/12/1194229112.db2.gz PDKXLQVDXWTWCS-APWZRJJASA-N 2 2 388.512 0.692 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000420771569 1194261574 /nfs/dbraw/zinc/26/15/74/1194261574.db2.gz SEEXNFSLWFACKU-KRWDZBQOSA-N 2 2 380.533 0.690 20 0 GCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000420771569 1194261575 /nfs/dbraw/zinc/26/15/75/1194261575.db2.gz SEEXNFSLWFACKU-KRWDZBQOSA-N 2 2 380.533 0.690 20 0 GCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000420769500 1194264364 /nfs/dbraw/zinc/26/43/64/1194264364.db2.gz JADMYQAKQZCBBD-RTBURBONSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000420769500 1194264366 /nfs/dbraw/zinc/26/43/66/1194264366.db2.gz JADMYQAKQZCBBD-RTBURBONSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000420769500 1194264368 /nfs/dbraw/zinc/26/43/68/1194264368.db2.gz JADMYQAKQZCBBD-RTBURBONSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000420769500 1194264371 /nfs/dbraw/zinc/26/43/71/1194264371.db2.gz JADMYQAKQZCBBD-RTBURBONSA-N 2 2 388.512 0.556 20 0 GCADLP NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420913948 1194276517 /nfs/dbraw/zinc/27/65/17/1194276517.db2.gz JIYYRWIYHLDXFO-GOSISDBHSA-N 2 2 382.530 0.524 20 0 GCADLP NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420913948 1194276520 /nfs/dbraw/zinc/27/65/20/1194276520.db2.gz JIYYRWIYHLDXFO-GOSISDBHSA-N 2 2 382.530 0.524 20 0 GCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](NC(C)=O)C3)CC2)cc1 ZINC000420961328 1194278001 /nfs/dbraw/zinc/27/80/01/1194278001.db2.gz SFHQPUZJLJIMFX-IBGZPJMESA-N 2 2 388.512 0.940 20 0 GCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](NC(C)=O)C3)CC2)cc1 ZINC000420961328 1194278004 /nfs/dbraw/zinc/27/80/04/1194278004.db2.gz SFHQPUZJLJIMFX-IBGZPJMESA-N 2 2 388.512 0.940 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](NC(C)=O)C3)CC2)cc1 ZINC000420961328 1194278007 /nfs/dbraw/zinc/27/80/07/1194278007.db2.gz SFHQPUZJLJIMFX-IBGZPJMESA-N 2 2 388.512 0.940 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](NC(C)=O)C3)CC2)cc1 ZINC000420961328 1194278010 /nfs/dbraw/zinc/27/80/10/1194278010.db2.gz SFHQPUZJLJIMFX-IBGZPJMESA-N 2 2 388.512 0.940 20 0 GCADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)CC2)CC1 ZINC000421016322 1194284523 /nfs/dbraw/zinc/28/45/23/1194284523.db2.gz USEQFVUHEJONPC-INIZCTEOSA-N 2 2 383.537 0.339 20 0 GCADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)CC2)CC1 ZINC000421016322 1194284527 /nfs/dbraw/zinc/28/45/27/1194284527.db2.gz USEQFVUHEJONPC-INIZCTEOSA-N 2 2 383.537 0.339 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCN(C)CC1 ZINC000421249663 1194316968 /nfs/dbraw/zinc/31/69/68/1194316968.db2.gz MLLFZNRAXALBOB-QZTJIDSGSA-N 2 2 381.565 0.316 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCN(C)CC1 ZINC000421249663 1194316973 /nfs/dbraw/zinc/31/69/73/1194316973.db2.gz MLLFZNRAXALBOB-QZTJIDSGSA-N 2 2 381.565 0.316 20 0 GCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H]4OCC[NH2+][C@H]4C3)CC2)cc1 ZINC000584236669 1194370406 /nfs/dbraw/zinc/37/04/06/1194370406.db2.gz RQOSGCWURVXWPA-VQTJNVASSA-N 2 2 388.512 0.402 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)C)CC2)CC1 ZINC000422028925 1194377785 /nfs/dbraw/zinc/37/77/85/1194377785.db2.gz YUQRSJDSMYLMSS-QGZVFWFLSA-N 2 2 388.578 0.579 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)C)CC2)CC1 ZINC000422028925 1194377789 /nfs/dbraw/zinc/37/77/89/1194377789.db2.gz YUQRSJDSMYLMSS-QGZVFWFLSA-N 2 2 388.578 0.579 20 0 GCADLP COCCN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000503066071 1194378262 /nfs/dbraw/zinc/37/82/62/1194378262.db2.gz YOLMQWFYAREALG-MRXNPFEDSA-N 2 2 386.518 0.176 20 0 GCADLP COCCN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000503066071 1194378271 /nfs/dbraw/zinc/37/82/71/1194378271.db2.gz YOLMQWFYAREALG-MRXNPFEDSA-N 2 2 386.518 0.176 20 0 GCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271711334 1194406011 /nfs/dbraw/zinc/40/60/11/1194406011.db2.gz PKXADLRLGXRACH-UHFFFAOYSA-N 2 2 381.458 0.500 20 0 GCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271711334 1194406013 /nfs/dbraw/zinc/40/60/13/1194406013.db2.gz PKXADLRLGXRACH-UHFFFAOYSA-N 2 2 381.458 0.500 20 0 GCADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1cccc(OC)c1 ZINC000272283176 1194446379 /nfs/dbraw/zinc/44/63/79/1194446379.db2.gz DEHHXEUIEXBXIA-IRXDYDNUSA-N 2 2 385.530 0.956 20 0 GCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549958221 1194482030 /nfs/dbraw/zinc/48/20/30/1194482030.db2.gz ZTOBMTFZYDJGAV-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549958221 1194482032 /nfs/dbraw/zinc/48/20/32/1194482032.db2.gz ZTOBMTFZYDJGAV-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP C[NH+](C)CCOc1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccn1 ZINC000272685710 1194487424 /nfs/dbraw/zinc/48/74/24/1194487424.db2.gz ODBKMINFSJMULX-UHFFFAOYSA-N 2 2 388.472 0.803 20 0 GCADLP O=S1(=O)C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H](N2CCOCC2)C1 ZINC000272828652 1194507099 /nfs/dbraw/zinc/50/70/99/1194507099.db2.gz HKKCEXUTJWQLGA-IRXDYDNUSA-N 2 2 380.514 0.138 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000273095174 1194538465 /nfs/dbraw/zinc/53/84/65/1194538465.db2.gz UMNWGCUAZANBOY-XLIONFOSSA-N 2 2 399.499 0.559 20 0 GCADLP CO[C@](C)([C@@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000422536546 1194664926 /nfs/dbraw/zinc/66/49/26/1194664926.db2.gz XPGLLYUUNXQCOX-FOIQADDNSA-N 2 2 382.549 0.791 20 0 GCADLP CO[C@](C)([C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000422536546 1194664928 /nfs/dbraw/zinc/66/49/28/1194664928.db2.gz XPGLLYUUNXQCOX-FOIQADDNSA-N 2 2 382.549 0.791 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000422626667 1194677723 /nfs/dbraw/zinc/67/77/23/1194677723.db2.gz KNJRUTDBPXDSEN-FHERZECASA-N 2 2 382.505 0.071 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000422626667 1194677727 /nfs/dbraw/zinc/67/77/27/1194677727.db2.gz KNJRUTDBPXDSEN-FHERZECASA-N 2 2 382.505 0.071 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636614 1194679646 /nfs/dbraw/zinc/67/96/46/1194679646.db2.gz NFQNEDBTAXCGSO-HLPPOEQASA-N 2 2 394.541 0.917 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636614 1194679648 /nfs/dbraw/zinc/67/96/48/1194679648.db2.gz NFQNEDBTAXCGSO-HLPPOEQASA-N 2 2 394.541 0.917 20 0 GCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000422725446 1194695244 /nfs/dbraw/zinc/69/52/44/1194695244.db2.gz YAIUFIVGYZFNDO-RTBURBONSA-N 2 2 377.485 0.781 20 0 GCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000422760033 1194695474 /nfs/dbraw/zinc/69/54/74/1194695474.db2.gz LKQDISHYGAFWGN-PKOBYXMFSA-N 2 2 377.485 0.781 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1c1cccc(F)c1 ZINC000422988761 1194713124 /nfs/dbraw/zinc/71/31/24/1194713124.db2.gz LANBZFLSFKYLSJ-ZWKOTPCHSA-N 2 2 397.454 0.823 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423026888 1194719298 /nfs/dbraw/zinc/71/92/98/1194719298.db2.gz CMTPHWNSFXDAIH-HZPDHXFCSA-N 2 2 388.516 0.753 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423026889 1194719546 /nfs/dbraw/zinc/71/95/46/1194719546.db2.gz CMTPHWNSFXDAIH-JKSUJKDBSA-N 2 2 388.516 0.753 20 0 GCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000423203081 1194739383 /nfs/dbraw/zinc/73/93/83/1194739383.db2.gz BXVVVWDLJBYCKZ-MRXNPFEDSA-N 2 2 389.500 0.172 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)c1 ZINC000423263731 1194742790 /nfs/dbraw/zinc/74/27/90/1194742790.db2.gz XQTYJUBEPAKPAM-MAUKXSAKSA-N 2 2 390.484 0.087 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000423332593 1194749704 /nfs/dbraw/zinc/74/97/04/1194749704.db2.gz QSCIETQKLVPPIM-XMTFNYHQSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000423332593 1194749705 /nfs/dbraw/zinc/74/97/05/1194749705.db2.gz QSCIETQKLVPPIM-XMTFNYHQSA-N 2 2 380.533 0.402 20 0 GCADLP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000414743923 1194756446 /nfs/dbraw/zinc/75/64/46/1194756446.db2.gz VRELUVLXZBLJLS-OAHLLOKOSA-N 2 2 398.504 0.329 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529115 1194761602 /nfs/dbraw/zinc/76/16/02/1194761602.db2.gz NXHHKHLZCJFOQD-NZSAHSFTSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529115 1194761603 /nfs/dbraw/zinc/76/16/03/1194761603.db2.gz NXHHKHLZCJFOQD-NZSAHSFTSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529116 1194761648 /nfs/dbraw/zinc/76/16/48/1194761648.db2.gz NXHHKHLZCJFOQD-QRQLOZEOSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529116 1194761650 /nfs/dbraw/zinc/76/16/50/1194761650.db2.gz NXHHKHLZCJFOQD-QRQLOZEOSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517754 1194762291 /nfs/dbraw/zinc/76/22/91/1194762291.db2.gz OGYXAYNFHXVALE-WMZOPIPTSA-N 3 2 398.573 0.946 20 0 GCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523048 1194762889 /nfs/dbraw/zinc/76/28/89/1194762889.db2.gz MVTNZEJIROWCBW-NVXWUHKLSA-N 3 2 384.546 0.556 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[C@@H](C)C1 ZINC000423539559 1194765042 /nfs/dbraw/zinc/76/50/42/1194765042.db2.gz OXGWHRYOUCVXGT-DOTOQJQBSA-N 2 2 394.516 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[C@@H](C)C1 ZINC000423539559 1194765044 /nfs/dbraw/zinc/76/50/44/1194765044.db2.gz OXGWHRYOUCVXGT-DOTOQJQBSA-N 2 2 394.516 0.073 20 0 GCADLP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423541618 1194765124 /nfs/dbraw/zinc/76/51/24/1194765124.db2.gz FRASDDIZDBZGPX-APWZRJJASA-N 2 2 387.528 0.881 20 0 GCADLP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423541618 1194765125 /nfs/dbraw/zinc/76/51/25/1194765125.db2.gz FRASDDIZDBZGPX-APWZRJJASA-N 2 2 387.528 0.881 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423609365 1194773076 /nfs/dbraw/zinc/77/30/76/1194773076.db2.gz LNMNNKBZFIFNKB-AZUAARDMSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000423609365 1194773078 /nfs/dbraw/zinc/77/30/78/1194773078.db2.gz LNMNNKBZFIFNKB-AZUAARDMSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423609373 1194773155 /nfs/dbraw/zinc/77/31/55/1194773155.db2.gz LNMNNKBZFIFNKB-QUCCMNQESA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000423609373 1194773156 /nfs/dbraw/zinc/77/31/56/1194773156.db2.gz LNMNNKBZFIFNKB-QUCCMNQESA-N 2 2 399.539 0.225 20 0 GCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000423620518 1194777742 /nfs/dbraw/zinc/77/77/42/1194777742.db2.gz WOFYIPABDVZCAZ-INIZCTEOSA-N 2 2 388.516 0.767 20 0 GCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423627771 1194778686 /nfs/dbraw/zinc/77/86/86/1194778686.db2.gz JAXUCAOLUXEKBJ-ZWKOTPCHSA-N 2 2 387.528 0.476 20 0 GCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000423653815 1194779614 /nfs/dbraw/zinc/77/96/14/1194779614.db2.gz ZZEGFPZWXUNGEC-GOSISDBHSA-N 2 2 396.495 0.769 20 0 GCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000423705680 1194786742 /nfs/dbraw/zinc/78/67/42/1194786742.db2.gz LLPSIMCFHJWWRK-ZWKOTPCHSA-N 2 2 388.512 0.967 20 0 GCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000423705680 1194786744 /nfs/dbraw/zinc/78/67/44/1194786744.db2.gz LLPSIMCFHJWWRK-ZWKOTPCHSA-N 2 2 388.512 0.967 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000423720053 1194788643 /nfs/dbraw/zinc/78/86/43/1194788643.db2.gz CXZSRZSXRBXDIU-RBUKOAKNSA-N 2 2 394.560 0.936 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000423722728 1194789035 /nfs/dbraw/zinc/78/90/35/1194789035.db2.gz PWKGMYJTCCJAAK-IBGZPJMESA-N 2 2 393.576 0.604 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000423722728 1194789039 /nfs/dbraw/zinc/78/90/39/1194789039.db2.gz PWKGMYJTCCJAAK-IBGZPJMESA-N 2 2 393.576 0.604 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423733353 1194792161 /nfs/dbraw/zinc/79/21/61/1194792161.db2.gz PUCKGPFBXIHLNP-QZTJIDSGSA-N 2 2 380.533 0.548 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000423733355 1194792279 /nfs/dbraw/zinc/79/22/79/1194792279.db2.gz PUCKGPFBXIHLNP-ZWKOTPCHSA-N 2 2 380.533 0.548 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424537410 1194820402 /nfs/dbraw/zinc/82/04/02/1194820402.db2.gz CEKUHSAIBWQIJZ-OTWHNJEPSA-N 2 2 396.495 0.189 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424537410 1194820404 /nfs/dbraw/zinc/82/04/04/1194820404.db2.gz CEKUHSAIBWQIJZ-OTWHNJEPSA-N 2 2 396.495 0.189 20 0 GCADLP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)Cc1ccccc1 ZINC000435021776 1194883647 /nfs/dbraw/zinc/88/36/47/1194883647.db2.gz RWXWBMYRLZZHJH-QGZVFWFLSA-N 2 2 384.484 0.929 20 0 GCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000435132072 1194891529 /nfs/dbraw/zinc/89/15/29/1194891529.db2.gz HDFQRZJQPMBFDG-DLBZAZTESA-N 2 2 381.521 0.078 20 0 GCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000435132072 1194891531 /nfs/dbraw/zinc/89/15/31/1194891531.db2.gz HDFQRZJQPMBFDG-DLBZAZTESA-N 2 2 381.521 0.078 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000435132072 1194891532 /nfs/dbraw/zinc/89/15/32/1194891532.db2.gz HDFQRZJQPMBFDG-DLBZAZTESA-N 2 2 381.521 0.078 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000435132072 1194891534 /nfs/dbraw/zinc/89/15/34/1194891534.db2.gz HDFQRZJQPMBFDG-DLBZAZTESA-N 2 2 381.521 0.078 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664475108 1194895519 /nfs/dbraw/zinc/89/55/19/1194895519.db2.gz MUXQLRROSWEWMG-OTWHNJEPSA-N 2 2 380.533 0.870 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000664475106 1194895647 /nfs/dbraw/zinc/89/56/47/1194895647.db2.gz MUXQLRROSWEWMG-GUDVDZBRSA-N 2 2 380.533 0.870 20 0 GCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000514778679 1194907679 /nfs/dbraw/zinc/90/76/79/1194907679.db2.gz JFSABWZXZJVUPK-KRWDZBQOSA-N 2 2 375.521 0.724 20 0 GCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000514778679 1194907681 /nfs/dbraw/zinc/90/76/81/1194907681.db2.gz JFSABWZXZJVUPK-KRWDZBQOSA-N 2 2 375.521 0.724 20 0 GCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000514860280 1194921794 /nfs/dbraw/zinc/92/17/94/1194921794.db2.gz MXSCKAMMKUWHGS-RTBURBONSA-N 2 2 384.484 0.801 20 0 GCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000514860280 1194921797 /nfs/dbraw/zinc/92/17/97/1194921797.db2.gz MXSCKAMMKUWHGS-RTBURBONSA-N 2 2 384.484 0.801 20 0 GCADLP O=C(C(=O)N1CCn2c[nH+]cc2C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425379272 1194933511 /nfs/dbraw/zinc/93/35/11/1194933511.db2.gz AJGQEEZHGVIXLY-PKOBYXMFSA-N 2 2 379.464 0.958 20 0 GCADLP O=C(C(=O)N1CCn2c[nH+]cc2C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425379272 1194933513 /nfs/dbraw/zinc/93/35/13/1194933513.db2.gz AJGQEEZHGVIXLY-PKOBYXMFSA-N 2 2 379.464 0.958 20 0 GCADLP COC1CC[NH+](C(C)(C)CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000435494131 1194936703 /nfs/dbraw/zinc/93/67/03/1194936703.db2.gz LXQVZTNHYZJPRC-MRXNPFEDSA-N 2 2 386.537 0.210 20 0 GCADLP COc1ccccc1[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000435575817 1194945219 /nfs/dbraw/zinc/94/52/19/1194945219.db2.gz FANUEFLWSKWPEF-SJLPKXTDSA-N 2 2 394.516 0.632 20 0 GCADLP CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435611974 1194947362 /nfs/dbraw/zinc/94/73/62/1194947362.db2.gz DLGWKBVREHTKMW-CYBMUJFWSA-N 2 2 384.502 0.745 20 0 GCADLP CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435611974 1194947364 /nfs/dbraw/zinc/94/73/64/1194947364.db2.gz DLGWKBVREHTKMW-CYBMUJFWSA-N 2 2 384.502 0.745 20 0 GCADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000515235882 1194961425 /nfs/dbraw/zinc/96/14/25/1194961425.db2.gz LCYWDEAQUZODEF-HNNXBMFYSA-N 2 2 390.484 0.756 20 0 GCADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000515235882 1194961428 /nfs/dbraw/zinc/96/14/28/1194961428.db2.gz LCYWDEAQUZODEF-HNNXBMFYSA-N 2 2 390.484 0.756 20 0 GCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC000285214430 1194978791 /nfs/dbraw/zinc/97/87/91/1194978791.db2.gz WIVOYOHKXLCUFU-GOEBONIOSA-N 2 2 376.526 0.775 20 0 GCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC000285214430 1194978793 /nfs/dbraw/zinc/97/87/93/1194978793.db2.gz WIVOYOHKXLCUFU-GOEBONIOSA-N 2 2 376.526 0.775 20 0 GCADLP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC000285214430 1194978795 /nfs/dbraw/zinc/97/87/95/1194978795.db2.gz WIVOYOHKXLCUFU-GOEBONIOSA-N 2 2 376.526 0.775 20 0 GCADLP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC000285214430 1194978798 /nfs/dbraw/zinc/97/87/98/1194978798.db2.gz WIVOYOHKXLCUFU-GOEBONIOSA-N 2 2 376.526 0.775 20 0 GCADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436059605 1194983135 /nfs/dbraw/zinc/98/31/35/1194983135.db2.gz BOISWWVXVUDHLL-QGZVFWFLSA-N 2 2 375.473 0.903 20 0 GCADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436059605 1194983136 /nfs/dbraw/zinc/98/31/36/1194983136.db2.gz BOISWWVXVUDHLL-QGZVFWFLSA-N 2 2 375.473 0.903 20 0 GCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436064624 1194983524 /nfs/dbraw/zinc/98/35/24/1194983524.db2.gz ZXHYVXGAHQJYHJ-BZUAXINKSA-N 2 2 381.521 0.710 20 0 GCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436064624 1194983525 /nfs/dbraw/zinc/98/35/25/1194983525.db2.gz ZXHYVXGAHQJYHJ-BZUAXINKSA-N 2 2 381.521 0.710 20 0 GCADLP COc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc(OC)c1 ZINC000436069641 1194983939 /nfs/dbraw/zinc/98/39/39/1194983939.db2.gz YXCHHFJVVZWITB-HNNXBMFYSA-N 2 2 378.473 0.962 20 0 GCADLP COc1cc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc(OC)c1 ZINC000436069641 1194983940 /nfs/dbraw/zinc/98/39/40/1194983940.db2.gz YXCHHFJVVZWITB-HNNXBMFYSA-N 2 2 378.473 0.962 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2nsnc21 ZINC000436069174 1194984034 /nfs/dbraw/zinc/98/40/34/1194984034.db2.gz XPLPECVXISMHGM-LBPRGKRZSA-N 2 2 376.486 0.949 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc2nsnc21 ZINC000436069174 1194984036 /nfs/dbraw/zinc/98/40/36/1194984036.db2.gz XPLPECVXISMHGM-LBPRGKRZSA-N 2 2 376.486 0.949 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000285599873 1194986900 /nfs/dbraw/zinc/98/69/00/1194986900.db2.gz LOYVNLCBSYRITC-IBGZPJMESA-N 2 2 390.528 0.708 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000285599873 1194986903 /nfs/dbraw/zinc/98/69/03/1194986903.db2.gz LOYVNLCBSYRITC-IBGZPJMESA-N 2 2 390.528 0.708 20 0 GCADLP COCC[NH2+]C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000516301513 1195040466 /nfs/dbraw/zinc/04/04/66/1195040466.db2.gz SQFMATIHDSQLCX-UHFFFAOYSA-N 2 2 391.520 0.009 20 0 GCADLP Cc1ncsc1C[NH+]1CC2(C1)CCN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001270175421 1195073738 /nfs/dbraw/zinc/07/37/38/1195073738.db2.gz DSTJWFIVGLUDAX-UHFFFAOYSA-N 2 2 382.530 0.163 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000288794533 1195074418 /nfs/dbraw/zinc/07/44/18/1195074418.db2.gz ZPDYSPAHTACPEK-AEFFLSMTSA-N 2 2 390.553 0.788 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000288794533 1195074421 /nfs/dbraw/zinc/07/44/21/1195074421.db2.gz ZPDYSPAHTACPEK-AEFFLSMTSA-N 2 2 390.553 0.788 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000437435223 1195110644 /nfs/dbraw/zinc/11/06/44/1195110644.db2.gz XQQGPKTVHNHYMA-HHHXNRCGSA-N 2 2 394.541 0.847 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000437435223 1195110646 /nfs/dbraw/zinc/11/06/46/1195110646.db2.gz XQQGPKTVHNHYMA-HHHXNRCGSA-N 2 2 394.541 0.847 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000425805211 1195111289 /nfs/dbraw/zinc/11/12/89/1195111289.db2.gz OHPFPVHOCGPSIK-UHFFFAOYSA-N 2 2 386.456 0.775 20 0 GCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn(C)c1=O ZINC000437462293 1195113272 /nfs/dbraw/zinc/11/32/72/1195113272.db2.gz NMTJPYMCDXUFMA-UHFFFAOYSA-N 2 2 377.489 0.117 20 0 GCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn(C)c1=O ZINC000437462293 1195113274 /nfs/dbraw/zinc/11/32/74/1195113274.db2.gz NMTJPYMCDXUFMA-UHFFFAOYSA-N 2 2 377.489 0.117 20 0 GCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000414911573 1195139939 /nfs/dbraw/zinc/13/99/39/1195139939.db2.gz WNHHZTWHVQKHEG-CQSZACIVSA-N 2 2 376.457 0.440 20 0 GCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414912504 1195147602 /nfs/dbraw/zinc/14/76/02/1195147602.db2.gz YHHICSNQCYBVPN-AWEZNQCLSA-N 2 2 388.468 0.367 20 0 GCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000517400497 1195176796 /nfs/dbraw/zinc/17/67/96/1195176796.db2.gz VKEXJROCTBHGGN-GOSISDBHSA-N 2 2 382.549 0.792 20 0 GCADLP C[NH+]1CCN([C@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407248 1195180321 /nfs/dbraw/zinc/18/03/21/1195180321.db2.gz SMZVJMAQSIXRTR-MOPGFXCFSA-N 2 2 387.528 0.431 20 0 GCADLP C[NH+]1CCN([C@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407248 1195180324 /nfs/dbraw/zinc/18/03/24/1195180324.db2.gz SMZVJMAQSIXRTR-MOPGFXCFSA-N 2 2 387.528 0.431 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000517573226 1195192306 /nfs/dbraw/zinc/19/23/06/1195192306.db2.gz PASHZIPRHWVJRO-UHFFFAOYSA-N 3 2 395.592 0.852 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000517573226 1195192309 /nfs/dbraw/zinc/19/23/09/1195192309.db2.gz PASHZIPRHWVJRO-UHFFFAOYSA-N 3 2 395.592 0.852 20 0 GCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438334294 1195206587 /nfs/dbraw/zinc/20/65/87/1195206587.db2.gz YTBGFOMXSWCELL-KRWDZBQOSA-N 2 2 394.520 0.790 20 0 GCADLP C[N@H+](CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccccc1 ZINC000438324449 1195206793 /nfs/dbraw/zinc/20/67/93/1195206793.db2.gz LETRGKYQDBBAOQ-UHFFFAOYSA-N 2 2 386.500 1.469 20 0 GCADLP C[N@@H+](CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccccc1 ZINC000438324449 1195206795 /nfs/dbraw/zinc/20/67/95/1195206795.db2.gz LETRGKYQDBBAOQ-UHFFFAOYSA-N 2 2 386.500 1.469 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000517773655 1195215865 /nfs/dbraw/zinc/21/58/65/1195215865.db2.gz RAFIRUVNNTUSRX-UHFFFAOYSA-N 2 2 396.580 0.304 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000414937499 1195231451 /nfs/dbraw/zinc/23/14/51/1195231451.db2.gz XRUWAPPMMPNXAG-INIZCTEOSA-N 2 2 389.500 0.405 20 0 GCADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438880952 1195265447 /nfs/dbraw/zinc/26/54/47/1195265447.db2.gz CVLHATXQNAHAPG-KRWDZBQOSA-N 2 2 382.468 1.205 20 0 GCADLP CN(C(=O)c1c[nH]c2ncccc12)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518499340 1195297807 /nfs/dbraw/zinc/29/78/07/1195297807.db2.gz DIBPWSZIDOIQAS-UHFFFAOYSA-N 2 2 398.511 0.873 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000518805833 1195333743 /nfs/dbraw/zinc/33/37/43/1195333743.db2.gz YXPQWUWIGNGEHR-UHFFFAOYSA-N 2 2 383.537 0.339 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000518805833 1195333746 /nfs/dbraw/zinc/33/37/46/1195333746.db2.gz YXPQWUWIGNGEHR-UHFFFAOYSA-N 2 2 383.537 0.339 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000550098698 1195434700 /nfs/dbraw/zinc/43/47/00/1195434700.db2.gz XDNQQOUJPBPJGL-QGZVFWFLSA-N 2 2 389.500 0.203 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000550098698 1195434707 /nfs/dbraw/zinc/43/47/07/1195434707.db2.gz XDNQQOUJPBPJGL-QGZVFWFLSA-N 2 2 389.500 0.203 20 0 GCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550181308 1195455564 /nfs/dbraw/zinc/45/55/64/1195455564.db2.gz RYBMQMIPGQFJNC-BBWFWOEESA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550181308 1195455567 /nfs/dbraw/zinc/45/55/67/1195455567.db2.gz RYBMQMIPGQFJNC-BBWFWOEESA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550181308 1195455568 /nfs/dbraw/zinc/45/55/68/1195455568.db2.gz RYBMQMIPGQFJNC-BBWFWOEESA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550181308 1195455571 /nfs/dbraw/zinc/45/55/71/1195455571.db2.gz RYBMQMIPGQFJNC-BBWFWOEESA-N 2 2 382.549 0.789 20 0 GCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000550208558 1195460854 /nfs/dbraw/zinc/46/08/54/1195460854.db2.gz FNHHTCOIUXDUQK-BBWFWOEESA-N 2 2 380.533 0.687 20 0 GCADLP C[NH+](C)CCOCCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000473777945 1195460886 /nfs/dbraw/zinc/46/08/86/1195460886.db2.gz XQCGSHVKNWODRQ-UHFFFAOYSA-N 2 2 378.477 0.169 20 0 GCADLP COCCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550267140 1195472906 /nfs/dbraw/zinc/47/29/06/1195472906.db2.gz NRNHUSADZDKPSZ-QZTJIDSGSA-N 2 2 382.549 0.935 20 0 GCADLP COCCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550267140 1195472909 /nfs/dbraw/zinc/47/29/09/1195472909.db2.gz NRNHUSADZDKPSZ-QZTJIDSGSA-N 2 2 382.549 0.935 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000550275737 1195474931 /nfs/dbraw/zinc/47/49/31/1195474931.db2.gz DGIVUPUYSVDCOI-IAGOWNOFSA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000550275737 1195474932 /nfs/dbraw/zinc/47/49/32/1195474932.db2.gz DGIVUPUYSVDCOI-IAGOWNOFSA-N 2 2 382.549 0.696 20 0 GCADLP O=C(CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000519612624 1195541918 /nfs/dbraw/zinc/54/19/18/1195541918.db2.gz OMKMOOOVPZSYMG-LJQANCHMSA-N 2 2 387.528 0.917 20 0 GCADLP O=C(CC[N@H+]1CCC[C@@H](N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000519612624 1195541920 /nfs/dbraw/zinc/54/19/20/1195541920.db2.gz OMKMOOOVPZSYMG-LJQANCHMSA-N 2 2 387.528 0.917 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550301154 1195554016 /nfs/dbraw/zinc/55/40/16/1195554016.db2.gz KNWWVCRKVYXFHY-UHFFFAOYSA-N 2 2 398.511 0.323 20 0 GCADLP COC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000440553666 1195563723 /nfs/dbraw/zinc/56/37/23/1195563723.db2.gz HIOZDVJPMIWNNZ-LJQANCHMSA-N 2 2 378.473 0.678 20 0 GCADLP COC(=O)[C@H](O)C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000441271500 1195619484 /nfs/dbraw/zinc/61/94/84/1195619484.db2.gz YEMCAXJLXYIMCS-LJQANCHMSA-N 2 2 390.484 0.366 20 0 GCADLP CO[C@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H](C)C1 ZINC000441380355 1195629736 /nfs/dbraw/zinc/62/97/36/1195629736.db2.gz QPUSFWSBGQVIBV-GJZGRUSLSA-N 2 2 387.488 0.511 20 0 GCADLP CO[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H](C)C1 ZINC000441380355 1195629738 /nfs/dbraw/zinc/62/97/38/1195629738.db2.gz QPUSFWSBGQVIBV-GJZGRUSLSA-N 2 2 387.488 0.511 20 0 GCADLP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550363640 1195644505 /nfs/dbraw/zinc/64/45/05/1195644505.db2.gz VSROABLLQLNFFX-SFHVURJKSA-N 2 2 380.533 0.618 20 0 GCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550363640 1195644508 /nfs/dbraw/zinc/64/45/08/1195644508.db2.gz VSROABLLQLNFFX-SFHVURJKSA-N 2 2 380.533 0.618 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000550361408 1195645642 /nfs/dbraw/zinc/64/56/42/1195645642.db2.gz FDPNUHIVJGKODN-RCCFBDPRSA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000550361408 1195645645 /nfs/dbraw/zinc/64/56/45/1195645645.db2.gz FDPNUHIVJGKODN-RCCFBDPRSA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000550380885 1195648613 /nfs/dbraw/zinc/64/86/13/1195648613.db2.gz CDMIIBSMKVZUBN-GOSISDBHSA-N 2 2 395.592 0.707 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000550380885 1195648615 /nfs/dbraw/zinc/64/86/15/1195648615.db2.gz CDMIIBSMKVZUBN-GOSISDBHSA-N 2 2 395.592 0.707 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCc3ccn4cc[nH+]c4c3)n2)CC1 ZINC000427565587 1195650650 /nfs/dbraw/zinc/65/06/50/1195650650.db2.gz UIMDMJAUWSXBQJ-UHFFFAOYSA-N 2 2 381.440 1.052 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000550383889 1195651788 /nfs/dbraw/zinc/65/17/88/1195651788.db2.gz WSDJNWRSBCXKGQ-SJLPKXTDSA-N 2 2 379.549 0.141 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000550383889 1195651793 /nfs/dbraw/zinc/65/17/93/1195651793.db2.gz WSDJNWRSBCXKGQ-SJLPKXTDSA-N 2 2 379.549 0.141 20 0 GCADLP CN(C(=O)[C@H](O)C1CCCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328602411 1195659563 /nfs/dbraw/zinc/65/95/63/1195659563.db2.gz GWBFIZKITAJREZ-HXUWFJFHSA-N 2 2 394.560 0.624 20 0 GCADLP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)CC1 ZINC000328795480 1195668581 /nfs/dbraw/zinc/66/85/81/1195668581.db2.gz UCJXGMLKIHUQFX-RBUKOAKNSA-N 2 2 392.544 0.357 20 0 GCADLP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000328800338 1195669053 /nfs/dbraw/zinc/66/90/53/1195669053.db2.gz IFNDQONRQITEAN-UHFFFAOYSA-N 2 2 398.511 0.645 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000983804973 1195678278 /nfs/dbraw/zinc/67/82/78/1195678278.db2.gz INCGJEUKERFEKR-XYVMCAHJSA-N 2 2 391.516 0.654 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000983804973 1195678282 /nfs/dbraw/zinc/67/82/82/1195678282.db2.gz INCGJEUKERFEKR-XYVMCAHJSA-N 2 2 391.516 0.654 20 0 GCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000328992383 1195684886 /nfs/dbraw/zinc/68/48/86/1195684886.db2.gz SSSCFFIRVVIGSD-PKOBYXMFSA-N 2 2 375.517 0.699 20 0 GCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000328992383 1195684889 /nfs/dbraw/zinc/68/48/89/1195684889.db2.gz SSSCFFIRVVIGSD-PKOBYXMFSA-N 2 2 375.517 0.699 20 0 GCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188946612 1195742010 /nfs/dbraw/zinc/74/20/10/1195742010.db2.gz ZTDBRPCSBMUJIV-ROUUACIJSA-N 2 2 383.581 0.747 20 0 GCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188946612 1195742011 /nfs/dbraw/zinc/74/20/11/1195742011.db2.gz ZTDBRPCSBMUJIV-ROUUACIJSA-N 2 2 383.581 0.747 20 0 GCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188946634 1195742070 /nfs/dbraw/zinc/74/20/70/1195742070.db2.gz ZTDBRPCSBMUJIV-MSOLQXFVSA-N 2 2 383.581 0.747 20 0 GCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188946634 1195742073 /nfs/dbraw/zinc/74/20/73/1195742073.db2.gz ZTDBRPCSBMUJIV-MSOLQXFVSA-N 2 2 383.581 0.747 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000729497311 1195744514 /nfs/dbraw/zinc/74/45/14/1195744514.db2.gz RKUDXWSELKWYEW-JFIYKMOQSA-N 2 2 384.546 0.357 20 0 GCADLP CC[NH+](CC)CCS(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000550432517 1195827714 /nfs/dbraw/zinc/82/77/14/1195827714.db2.gz UGOPWKKENJJFLT-UHFFFAOYSA-N 2 2 384.550 0.250 20 0 GCADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000194893397 1195828226 /nfs/dbraw/zinc/82/82/26/1195828226.db2.gz YIPYJXFJKUGWIJ-KRWDZBQOSA-N 2 2 388.516 0.761 20 0 GCADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000194893397 1195828229 /nfs/dbraw/zinc/82/82/29/1195828229.db2.gz YIPYJXFJKUGWIJ-KRWDZBQOSA-N 2 2 388.516 0.761 20 0 GCADLP O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000520819481 1195925673 /nfs/dbraw/zinc/92/56/73/1195925673.db2.gz BLAFZCZLWMBLLH-UXHICEINSA-N 2 2 384.524 0.807 20 0 GCADLP C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3nc4c(s3)C[N@H+](C)CC4)C[C@H](C1)O2 ZINC001270977058 1195925924 /nfs/dbraw/zinc/92/59/24/1195925924.db2.gz FAYXEWORQKNPEH-OKILXGFUSA-N 2 2 379.530 0.218 20 0 GCADLP C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3nc4c(s3)C[N@@H+](C)CC4)C[C@H](C1)O2 ZINC001270977058 1195925928 /nfs/dbraw/zinc/92/59/28/1195925928.db2.gz FAYXEWORQKNPEH-OKILXGFUSA-N 2 2 379.530 0.218 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](CC)O1 ZINC000643397828 1195940465 /nfs/dbraw/zinc/94/04/65/1195940465.db2.gz SKPGHRTXFLPFGG-RYQLBKOJSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](CC)O1 ZINC000643397828 1195940469 /nfs/dbraw/zinc/94/04/69/1195940469.db2.gz SKPGHRTXFLPFGG-RYQLBKOJSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000520980532 1195949283 /nfs/dbraw/zinc/94/92/83/1195949283.db2.gz GZHRDSPXRAXAIU-JKSUJKDBSA-N 2 2 383.537 0.338 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000521216905 1195979463 /nfs/dbraw/zinc/97/94/63/1195979463.db2.gz QQKIGCPMEJGRSL-MSOLQXFVSA-N 2 2 395.935 0.916 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000521216905 1195979464 /nfs/dbraw/zinc/97/94/64/1195979464.db2.gz QQKIGCPMEJGRSL-MSOLQXFVSA-N 2 2 395.935 0.916 20 0 GCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442762758 1196001162 /nfs/dbraw/zinc/00/11/62/1196001162.db2.gz AFMNEBPNGHPXQW-HUUCEWRRSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442762758 1196001163 /nfs/dbraw/zinc/00/11/63/1196001163.db2.gz AFMNEBPNGHPXQW-HUUCEWRRSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442790603 1196004678 /nfs/dbraw/zinc/00/46/78/1196004678.db2.gz LWPKRKZQSDGQLY-HUUCEWRRSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442790603 1196004682 /nfs/dbraw/zinc/00/46/82/1196004682.db2.gz LWPKRKZQSDGQLY-HUUCEWRRSA-N 2 2 396.513 0.315 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000521922736 1196025317 /nfs/dbraw/zinc/02/53/17/1196025317.db2.gz OXEOCDHOIYCKSA-SFHVURJKSA-N 2 2 384.484 0.888 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000521922736 1196025320 /nfs/dbraw/zinc/02/53/20/1196025320.db2.gz OXEOCDHOIYCKSA-SFHVURJKSA-N 2 2 384.484 0.888 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1c(C)nnn1CC ZINC001087622370 1196053388 /nfs/dbraw/zinc/05/33/88/1196053388.db2.gz IHDCUQLMHONGGF-NOVWEMISSA-N 2 2 378.521 0.795 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1c(C)nnn1CC ZINC001087622370 1196053390 /nfs/dbraw/zinc/05/33/90/1196053390.db2.gz IHDCUQLMHONGGF-NOVWEMISSA-N 2 2 378.521 0.795 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1c(C)nnn1CC ZINC001087622370 1196053393 /nfs/dbraw/zinc/05/33/93/1196053393.db2.gz IHDCUQLMHONGGF-NOVWEMISSA-N 2 2 378.521 0.795 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1c(C)nnn1CC ZINC001087622370 1196053396 /nfs/dbraw/zinc/05/33/96/1196053396.db2.gz IHDCUQLMHONGGF-NOVWEMISSA-N 2 2 378.521 0.795 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000895208376 1196054568 /nfs/dbraw/zinc/05/45/68/1196054568.db2.gz NDGGJZFXDCQEHB-UHFFFAOYSA-N 2 2 385.505 0.975 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000550512428 1196069138 /nfs/dbraw/zinc/06/91/38/1196069138.db2.gz DDHRRLKSLZGNCR-GOSISDBHSA-N 2 2 380.533 0.546 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000550512428 1196069140 /nfs/dbraw/zinc/06/91/40/1196069140.db2.gz DDHRRLKSLZGNCR-GOSISDBHSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000474720446 1196145899 /nfs/dbraw/zinc/14/58/99/1196145899.db2.gz BVUIZLUIGOOGLD-ROUUACIJSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000474720446 1196145901 /nfs/dbraw/zinc/14/59/01/1196145901.db2.gz BVUIZLUIGOOGLD-ROUUACIJSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000474720446 1196145903 /nfs/dbraw/zinc/14/59/03/1196145903.db2.gz BVUIZLUIGOOGLD-ROUUACIJSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000474720446 1196145905 /nfs/dbraw/zinc/14/59/05/1196145905.db2.gz BVUIZLUIGOOGLD-ROUUACIJSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000474720447 1196146097 /nfs/dbraw/zinc/14/60/97/1196146097.db2.gz BVUIZLUIGOOGLD-ZWKOTPCHSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000474720447 1196146098 /nfs/dbraw/zinc/14/60/98/1196146098.db2.gz BVUIZLUIGOOGLD-ZWKOTPCHSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000474720447 1196146100 /nfs/dbraw/zinc/14/61/00/1196146100.db2.gz BVUIZLUIGOOGLD-ZWKOTPCHSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000474720447 1196146102 /nfs/dbraw/zinc/14/61/02/1196146102.db2.gz BVUIZLUIGOOGLD-ZWKOTPCHSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000474788003 1196150652 /nfs/dbraw/zinc/15/06/52/1196150652.db2.gz CWUUHNQGVVPDHC-LJQANCHMSA-N 2 2 388.560 0.736 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532876 1196153593 /nfs/dbraw/zinc/15/35/93/1196153593.db2.gz NBGGMGMRUHQUHP-NBYUQASBSA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532876 1196153594 /nfs/dbraw/zinc/15/35/94/1196153594.db2.gz NBGGMGMRUHQUHP-NBYUQASBSA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532876 1196153597 /nfs/dbraw/zinc/15/35/97/1196153597.db2.gz NBGGMGMRUHQUHP-NBYUQASBSA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532876 1196153600 /nfs/dbraw/zinc/15/36/00/1196153600.db2.gz NBGGMGMRUHQUHP-NBYUQASBSA-N 2 2 390.576 0.985 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000896539739 1196156882 /nfs/dbraw/zinc/15/68/82/1196156882.db2.gz BFTQFCBEJJKVHG-PXNSSMCTSA-N 3 2 379.593 0.933 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000896539739 1196156887 /nfs/dbraw/zinc/15/68/87/1196156887.db2.gz BFTQFCBEJJKVHG-PXNSSMCTSA-N 3 2 379.593 0.933 20 0 GCADLP Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c(=O)[nH]1 ZINC000329091985 1196162950 /nfs/dbraw/zinc/16/29/50/1196162950.db2.gz AJTAGHUNDGWHPE-UHFFFAOYSA-N 2 2 389.500 0.406 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[NH+]2C)CC1=O ZINC000896564869 1196165339 /nfs/dbraw/zinc/16/53/39/1196165339.db2.gz TZZJWYUUYHYVEG-MLHJIOFPSA-N 2 2 379.549 0.070 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[NH+]2C)CC1=O ZINC000896564869 1196165340 /nfs/dbraw/zinc/16/53/40/1196165340.db2.gz TZZJWYUUYHYVEG-MLHJIOFPSA-N 2 2 379.549 0.070 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1=O ZINC000896564869 1196165342 /nfs/dbraw/zinc/16/53/42/1196165342.db2.gz TZZJWYUUYHYVEG-MLHJIOFPSA-N 2 2 379.549 0.070 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1=O ZINC000896564869 1196165344 /nfs/dbraw/zinc/16/53/44/1196165344.db2.gz TZZJWYUUYHYVEG-MLHJIOFPSA-N 2 2 379.549 0.070 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2CN(C)CC[NH+]2C)CC1=O ZINC000896564867 1196165370 /nfs/dbraw/zinc/16/53/70/1196165370.db2.gz TZZJWYUUYHYVEG-BRSBDYLESA-N 2 2 379.549 0.070 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2CN(C)CC[NH+]2C)CC1=O ZINC000896564867 1196165372 /nfs/dbraw/zinc/16/53/72/1196165372.db2.gz TZZJWYUUYHYVEG-BRSBDYLESA-N 2 2 379.549 0.070 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1=O ZINC000896564867 1196165373 /nfs/dbraw/zinc/16/53/73/1196165373.db2.gz TZZJWYUUYHYVEG-BRSBDYLESA-N 2 2 379.549 0.070 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1=O ZINC000896564867 1196165375 /nfs/dbraw/zinc/16/53/75/1196165375.db2.gz TZZJWYUUYHYVEG-BRSBDYLESA-N 2 2 379.549 0.070 20 0 GCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329122534 1196166179 /nfs/dbraw/zinc/16/61/79/1196166179.db2.gz WSEFOHYPKPFUIE-SFHVURJKSA-N 2 2 392.544 0.644 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329249470 1196179739 /nfs/dbraw/zinc/17/97/39/1196179739.db2.gz ASMMBGJXBUDHTA-QZTJIDSGSA-N 2 2 378.517 0.395 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329249470 1196179740 /nfs/dbraw/zinc/17/97/40/1196179740.db2.gz ASMMBGJXBUDHTA-QZTJIDSGSA-N 2 2 378.517 0.395 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329249470 1196179744 /nfs/dbraw/zinc/17/97/44/1196179744.db2.gz ASMMBGJXBUDHTA-QZTJIDSGSA-N 2 2 378.517 0.395 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329249470 1196179747 /nfs/dbraw/zinc/17/97/47/1196179747.db2.gz ASMMBGJXBUDHTA-QZTJIDSGSA-N 2 2 378.517 0.395 20 0 GCADLP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329397300 1196192350 /nfs/dbraw/zinc/19/23/50/1196192350.db2.gz UWWQUPVXNYYQKF-HRBLRVMOSA-N 2 2 378.517 0.251 20 0 GCADLP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329397300 1196192351 /nfs/dbraw/zinc/19/23/51/1196192351.db2.gz UWWQUPVXNYYQKF-HRBLRVMOSA-N 2 2 378.517 0.251 20 0 GCADLP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000329574251 1196206616 /nfs/dbraw/zinc/20/66/16/1196206616.db2.gz NRUYNEBQDRDGFJ-QGZVFWFLSA-N 2 2 378.517 0.254 20 0 GCADLP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000329574251 1196206617 /nfs/dbraw/zinc/20/66/17/1196206617.db2.gz NRUYNEBQDRDGFJ-QGZVFWFLSA-N 2 2 378.517 0.254 20 0 GCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000329621631 1196211390 /nfs/dbraw/zinc/21/13/90/1196211390.db2.gz RPFQIUUNQSKDSI-MAUKXSAKSA-N 2 2 383.514 0.425 20 0 GCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000329621631 1196211394 /nfs/dbraw/zinc/21/13/94/1196211394.db2.gz RPFQIUUNQSKDSI-MAUKXSAKSA-N 2 2 383.514 0.425 20 0 GCADLP CC(C)[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000645493768 1196213781 /nfs/dbraw/zinc/21/37/81/1196213781.db2.gz JVVUSMIVQQAMQU-DOTOQJQBSA-N 2 2 397.545 0.269 20 0 GCADLP CCn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011159 1196216496 /nfs/dbraw/zinc/21/64/96/1196216496.db2.gz ASJLWEALEZOBCT-VXIBKDFQSA-N 2 2 375.517 0.902 20 0 GCADLP CCn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011159 1196216499 /nfs/dbraw/zinc/21/64/99/1196216499.db2.gz ASJLWEALEZOBCT-VXIBKDFQSA-N 2 2 375.517 0.902 20 0 GCADLP CCn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011159 1196216503 /nfs/dbraw/zinc/21/65/03/1196216503.db2.gz ASJLWEALEZOBCT-VXIBKDFQSA-N 2 2 375.517 0.902 20 0 GCADLP CCn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011159 1196216504 /nfs/dbraw/zinc/21/65/04/1196216504.db2.gz ASJLWEALEZOBCT-VXIBKDFQSA-N 2 2 375.517 0.902 20 0 GCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088011942 1196217194 /nfs/dbraw/zinc/21/71/94/1196217194.db2.gz LAQGIBCPJVFZRY-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088011942 1196217196 /nfs/dbraw/zinc/21/71/96/1196217196.db2.gz LAQGIBCPJVFZRY-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088011942 1196217198 /nfs/dbraw/zinc/21/71/98/1196217198.db2.gz LAQGIBCPJVFZRY-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088011942 1196217201 /nfs/dbraw/zinc/21/72/01/1196217201.db2.gz LAQGIBCPJVFZRY-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011801 1196217385 /nfs/dbraw/zinc/21/73/85/1196217385.db2.gz FBRXNEISWBOFQV-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011801 1196217387 /nfs/dbraw/zinc/21/73/87/1196217387.db2.gz FBRXNEISWBOFQV-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CCn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011801 1196217389 /nfs/dbraw/zinc/21/73/89/1196217389.db2.gz FBRXNEISWBOFQV-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CCn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011801 1196217390 /nfs/dbraw/zinc/21/73/90/1196217390.db2.gz FBRXNEISWBOFQV-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP C[NH+](C)[C@]1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCSC1 ZINC000443900080 1196223774 /nfs/dbraw/zinc/22/37/74/1196223774.db2.gz MNWZCTRRKVPHSK-KRWDZBQOSA-N 2 2 382.534 0.774 20 0 GCADLP C[NH+](C)[C@]1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCSC1 ZINC000443900609 1196224171 /nfs/dbraw/zinc/22/41/71/1196224171.db2.gz NMYDVRNYRRNMPK-KRWDZBQOSA-N 2 2 382.534 0.774 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329775735 1196230729 /nfs/dbraw/zinc/23/07/29/1196230729.db2.gz NITQEHBNVJUEOF-RCCFBDPRSA-N 2 2 378.517 0.252 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329775735 1196230732 /nfs/dbraw/zinc/23/07/32/1196230732.db2.gz NITQEHBNVJUEOF-RCCFBDPRSA-N 2 2 378.517 0.252 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)CC1 ZINC000329939976 1196240939 /nfs/dbraw/zinc/24/09/39/1196240939.db2.gz FXLNAGCXQRPFPO-BPUTZDHNSA-N 2 2 382.484 0.779 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)CC1 ZINC000329939976 1196240942 /nfs/dbraw/zinc/24/09/42/1196240942.db2.gz FXLNAGCXQRPFPO-BPUTZDHNSA-N 2 2 382.484 0.779 20 0 GCADLP CC1CC[NH+](CC(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000329944018 1196241370 /nfs/dbraw/zinc/24/13/70/1196241370.db2.gz DXKKORCYBXFGCU-UHFFFAOYSA-N 2 2 393.576 0.415 20 0 GCADLP CN(C(=O)C1CCC(O)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329978323 1196243731 /nfs/dbraw/zinc/24/37/31/1196243731.db2.gz HIEFZLWYCMGZOB-UHFFFAOYSA-N 2 2 380.533 0.234 20 0 GCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049278 1196246158 /nfs/dbraw/zinc/24/61/58/1196246158.db2.gz ADYXMRCPWXHETF-HCXYKTFWSA-N 2 2 381.517 0.293 20 0 GCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049278 1196246160 /nfs/dbraw/zinc/24/61/60/1196246160.db2.gz ADYXMRCPWXHETF-HCXYKTFWSA-N 2 2 381.517 0.293 20 0 GCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000330156550 1196256511 /nfs/dbraw/zinc/25/65/11/1196256511.db2.gz OTTYXGDWFVRVOV-GOSISDBHSA-N 2 2 392.544 0.644 20 0 GCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000281115381 1196276511 /nfs/dbraw/zinc/27/65/11/1196276511.db2.gz RSNGWIAGVKWZNS-UHFFFAOYSA-N 2 2 399.495 0.794 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000281759371 1196329718 /nfs/dbraw/zinc/32/97/18/1196329718.db2.gz YYBQQKWHLLEDPA-RMKNXTFCSA-N 2 2 394.541 0.832 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000281759371 1196329720 /nfs/dbraw/zinc/32/97/20/1196329720.db2.gz YYBQQKWHLLEDPA-RMKNXTFCSA-N 2 2 394.541 0.832 20 0 GCADLP CN(C(=O)CN1CCN(C)C(=O)C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444234772 1196366942 /nfs/dbraw/zinc/36/69/42/1196366942.db2.gz FHDBNORYAOXXMJ-RBUKOAKNSA-N 2 2 393.576 0.556 20 0 GCADLP CN(C(=O)CN1CCN(C)C(=O)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444234772 1196366947 /nfs/dbraw/zinc/36/69/47/1196366947.db2.gz FHDBNORYAOXXMJ-RBUKOAKNSA-N 2 2 393.576 0.556 20 0 GCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1(C)C ZINC000444274106 1196369919 /nfs/dbraw/zinc/36/99/19/1196369919.db2.gz XRSHWWUBMNVRBB-HNAYVOBHSA-N 2 2 376.505 0.247 20 0 GCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1(C)C ZINC000444274104 1196370424 /nfs/dbraw/zinc/37/04/24/1196370424.db2.gz XRSHWWUBMNVRBB-BEFAXECRSA-N 2 2 376.505 0.247 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043167172 1196381417 /nfs/dbraw/zinc/38/14/17/1196381417.db2.gz ZOFRMSYFVHEYRN-INIZCTEOSA-N 2 2 377.489 0.880 20 0 GCADLP CC(C)C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)NCC[NH+](C)C ZINC000897240568 1196408840 /nfs/dbraw/zinc/40/88/40/1196408840.db2.gz LLAODXSXYXZYQA-RDJZCZTQSA-N 2 2 378.521 0.999 20 0 GCADLP CC(C)C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)NCC[NH+](C)C ZINC000897240568 1196408842 /nfs/dbraw/zinc/40/88/42/1196408842.db2.gz LLAODXSXYXZYQA-RDJZCZTQSA-N 2 2 378.521 0.999 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000444670950 1196513058 /nfs/dbraw/zinc/51/30/58/1196513058.db2.gz HEMGLXLQEGMSQC-GOSISDBHSA-N 2 2 390.528 0.133 20 0 GCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)NC3CC[NH+](CC)CC3)CC2)n1 ZINC000444805915 1196522014 /nfs/dbraw/zinc/52/20/14/1196522014.db2.gz VGKCQVUTKRUDOD-UHFFFAOYSA-N 2 2 392.504 0.761 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000445158925 1196554913 /nfs/dbraw/zinc/55/49/13/1196554913.db2.gz NEMXSCFLQZCWSV-OAHLLOKOSA-N 2 2 378.473 0.091 20 0 GCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000445168186 1196556236 /nfs/dbraw/zinc/55/62/36/1196556236.db2.gz XANHLRRMLYKSIY-OAHLLOKOSA-N 2 2 392.504 0.003 20 0 GCADLP C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000639852174 1196614799 /nfs/dbraw/zinc/61/47/99/1196614799.db2.gz DOPQIIVJCOHOPJ-PKOBYXMFSA-N 2 2 379.526 0.992 20 0 GCADLP C[C@]1(CO)C[C@H](O)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000639852174 1196614800 /nfs/dbraw/zinc/61/48/00/1196614800.db2.gz DOPQIIVJCOHOPJ-PKOBYXMFSA-N 2 2 379.526 0.992 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000446256616 1196629326 /nfs/dbraw/zinc/62/93/26/1196629326.db2.gz BNNFCNVYDSPYJH-BLIXFSHQSA-N 2 2 392.544 0.676 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000446256616 1196629330 /nfs/dbraw/zinc/62/93/30/1196629330.db2.gz BNNFCNVYDSPYJH-BLIXFSHQSA-N 2 2 392.544 0.676 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446371011 1196638372 /nfs/dbraw/zinc/63/83/72/1196638372.db2.gz NXUKFKRAQNQTTH-GMBSWORKSA-N 2 2 377.489 0.686 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446371019 1196638660 /nfs/dbraw/zinc/63/86/60/1196638660.db2.gz NXUKFKRAQNQTTH-ZSZQSSIHSA-N 2 2 377.489 0.686 20 0 GCADLP OC(C[NH+]1CCC(O[C@@H]2CCOC2)CC1)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000447301260 1196707573 /nfs/dbraw/zinc/70/75/73/1196707573.db2.gz IPLSAFSDCHYZAR-NHCUHLMSSA-N 2 2 398.544 0.887 20 0 GCADLP Cc1cc(N2CCN(C(=O)C[NH2+][C@@H](CO)[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000447907685 1196756340 /nfs/dbraw/zinc/75/63/40/1196756340.db2.gz ALGUWRASAFCATE-IRXDYDNUSA-N 2 2 391.516 0.687 20 0 GCADLP O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000447908911 1196756978 /nfs/dbraw/zinc/75/69/78/1196756978.db2.gz AVTRATORSYEKFH-RBUKOAKNSA-N 2 2 377.485 0.265 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@@H](c2nnc(N3CCC(C)([NH+]4CCOCC4)CC3)n2C)O1 ZINC000624792144 1196781477 /nfs/dbraw/zinc/78/14/77/1196781477.db2.gz OOUYBNDJCPYRCL-CVEARBPZSA-N 2 2 378.521 0.898 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@@H](c2nnc(N3CCC(C)([NH+]4CCOCC4)CC3)n2C)O1 ZINC000624792144 1196781481 /nfs/dbraw/zinc/78/14/81/1196781481.db2.gz OOUYBNDJCPYRCL-CVEARBPZSA-N 2 2 378.521 0.898 20 0 GCADLP CN(C(=O)Cc1ncccc1F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000527453360 1196785685 /nfs/dbraw/zinc/78/56/85/1196785685.db2.gz LJZWPJSWRLGYMP-UHFFFAOYSA-N 2 2 391.491 0.460 20 0 GCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000448500410 1196811128 /nfs/dbraw/zinc/81/11/28/1196811128.db2.gz ZGNOWTWHVUGDJY-INIZCTEOSA-N 2 2 392.504 0.002 20 0 GCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000448500410 1196811132 /nfs/dbraw/zinc/81/11/32/1196811132.db2.gz ZGNOWTWHVUGDJY-INIZCTEOSA-N 2 2 392.504 0.002 20 0 GCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000529299598 1196911525 /nfs/dbraw/zinc/91/15/25/1196911525.db2.gz LLFJECVSHYWNID-QGZVFWFLSA-N 2 2 388.516 0.760 20 0 GCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000529299597 1196911704 /nfs/dbraw/zinc/91/17/04/1196911704.db2.gz LLFJECVSHYWNID-KRWDZBQOSA-N 2 2 388.516 0.760 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000529321367 1196914819 /nfs/dbraw/zinc/91/48/19/1196914819.db2.gz NUOOUHSSXUNKKQ-IKGGRYGDSA-N 2 2 382.892 0.999 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000529321367 1196914821 /nfs/dbraw/zinc/91/48/21/1196914821.db2.gz NUOOUHSSXUNKKQ-IKGGRYGDSA-N 2 2 382.892 0.999 20 0 GCADLP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000529374605 1196919975 /nfs/dbraw/zinc/91/99/75/1196919975.db2.gz GEGSDRQBVSKXKE-UHOSZYNNSA-N 3 2 381.565 0.953 20 0 GCADLP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000529374605 1196919977 /nfs/dbraw/zinc/91/99/77/1196919977.db2.gz GEGSDRQBVSKXKE-UHOSZYNNSA-N 3 2 381.565 0.953 20 0 GCADLP CO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1(C)C ZINC000451483549 1196995123 /nfs/dbraw/zinc/99/51/23/1196995123.db2.gz AXXGSKPXUHXHFU-LSDHHAIUSA-N 2 2 387.488 0.415 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)CC1 ZINC000376385313 1197074065 /nfs/dbraw/zinc/07/40/65/1197074065.db2.gz LNNONNNTPBYOFP-UHFFFAOYSA-N 3 2 394.608 0.870 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)CC1 ZINC000376385313 1197074068 /nfs/dbraw/zinc/07/40/68/1197074068.db2.gz LNNONNNTPBYOFP-UHFFFAOYSA-N 3 2 394.608 0.870 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171646107 1197157279 /nfs/dbraw/zinc/15/72/79/1197157279.db2.gz IRZVHACRVWEZQP-GOSISDBHSA-N 2 2 387.532 0.868 20 0 GCADLP C[NH+]1CCC(NC(=O)[C@H]2CCSC23CN(C(=O)Cn2cc[nH+]c2)C3)CC1 ZINC001272021714 1197161215 /nfs/dbraw/zinc/16/12/15/1197161215.db2.gz HVRBJYDEIKIFIY-OAHLLOKOSA-N 2 2 377.514 0.428 20 0 GCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)c2)CC1 ZINC000173215059 1197175915 /nfs/dbraw/zinc/17/59/15/1197175915.db2.gz YENYFNHGFQNOJO-HXUWFJFHSA-N 2 2 397.523 0.845 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000176190302 1197185668 /nfs/dbraw/zinc/18/56/68/1197185668.db2.gz HJOZKBAPMLOQLW-IBGZPJMESA-N 2 2 381.565 0.765 20 0 GCADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000179464417 1197198102 /nfs/dbraw/zinc/19/81/02/1197198102.db2.gz AJABIKWWGVTVRG-NSHGMRRFSA-N 2 2 376.501 0.814 20 0 GCADLP C[N@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000179464417 1197198104 /nfs/dbraw/zinc/19/81/04/1197198104.db2.gz AJABIKWWGVTVRG-NSHGMRRFSA-N 2 2 376.501 0.814 20 0 GCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000666103992 1197200182 /nfs/dbraw/zinc/20/01/82/1197200182.db2.gz PLGJZQIROZEQEI-UHFFFAOYSA-N 2 2 385.534 0.741 20 0 GCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000666103992 1197200184 /nfs/dbraw/zinc/20/01/84/1197200184.db2.gz PLGJZQIROZEQEI-UHFFFAOYSA-N 2 2 385.534 0.741 20 0 GCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000645692236 1197235505 /nfs/dbraw/zinc/23/55/05/1197235505.db2.gz NYBWVFNEWPHPEN-WMZOPIPTSA-N 2 2 379.530 0.745 20 0 GCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151199596 1197251739 /nfs/dbraw/zinc/25/17/39/1197251739.db2.gz ZVZYQGSKQPYYGW-QGZVFWFLSA-N 2 2 381.484 0.731 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3C(=O)NC3CC3)CC2)CC1 ZINC000127494299 1197361405 /nfs/dbraw/zinc/36/14/05/1197361405.db2.gz YQOLGLMBPKFRCU-SFHVURJKSA-N 2 2 377.533 0.998 20 0 GCADLP NC(=O)CC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000048025355 1197370888 /nfs/dbraw/zinc/37/08/88/1197370888.db2.gz MRNVZUMHFXVVSR-UHFFFAOYSA-N 2 2 380.533 0.725 20 0 GCADLP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000666691995 1197375268 /nfs/dbraw/zinc/37/52/68/1197375268.db2.gz JNCPWZXEZMIVQF-KRWDZBQOSA-N 2 2 376.457 0.286 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCn3nnc4ccccc4c3=O)CC2)CC1 ZINC000050800482 1197381005 /nfs/dbraw/zinc/38/10/05/1197381005.db2.gz VYTQLBKTGKQDBE-UHFFFAOYSA-N 2 2 398.511 0.856 20 0 GCADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)S(C)(=O)=O ZINC000134935482 1197386495 /nfs/dbraw/zinc/38/64/95/1197386495.db2.gz LRRSKWCPDZRJDE-NVXWUHKLSA-N 2 2 386.562 0.333 20 0 GCADLP CN(CCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)S(C)(=O)=O ZINC000134935482 1197386497 /nfs/dbraw/zinc/38/64/97/1197386497.db2.gz LRRSKWCPDZRJDE-NVXWUHKLSA-N 2 2 386.562 0.333 20 0 GCADLP CN(CCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)S(C)(=O)=O ZINC000134935482 1197386500 /nfs/dbraw/zinc/38/65/00/1197386500.db2.gz LRRSKWCPDZRJDE-NVXWUHKLSA-N 2 2 386.562 0.333 20 0 GCADLP CN(CCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)S(C)(=O)=O ZINC000134935482 1197386502 /nfs/dbraw/zinc/38/65/02/1197386502.db2.gz LRRSKWCPDZRJDE-NVXWUHKLSA-N 2 2 386.562 0.333 20 0 GCADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684259 1197397256 /nfs/dbraw/zinc/39/72/56/1197397256.db2.gz NEBMZJOZGQIPPN-HUUCEWRRSA-N 2 2 379.457 0.521 20 0 GCADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684259 1197397259 /nfs/dbraw/zinc/39/72/59/1197397259.db2.gz NEBMZJOZGQIPPN-HUUCEWRRSA-N 2 2 379.457 0.521 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3nc(-c4ccncn4)no3)[C@@H]2C)CC[NH+]1C ZINC001088578142 1197397406 /nfs/dbraw/zinc/39/74/06/1197397406.db2.gz ITMRSSZDEIXJCU-TUVASFSCSA-N 2 2 385.472 0.946 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3nc(-c4ccncn4)no3)[C@@H]2C)CC[NH+]1C ZINC001088578142 1197397408 /nfs/dbraw/zinc/39/74/08/1197397408.db2.gz ITMRSSZDEIXJCU-TUVASFSCSA-N 2 2 385.472 0.946 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1nc(-c2ccncn2)no1 ZINC001088578142 1197397410 /nfs/dbraw/zinc/39/74/10/1197397410.db2.gz ITMRSSZDEIXJCU-TUVASFSCSA-N 2 2 385.472 0.946 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1nc(-c2ccncn2)no1 ZINC001088578142 1197397412 /nfs/dbraw/zinc/39/74/12/1197397412.db2.gz ITMRSSZDEIXJCU-TUVASFSCSA-N 2 2 385.472 0.946 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194430943 1197399205 /nfs/dbraw/zinc/39/92/05/1197399205.db2.gz HGAMKBMEHRTZQM-WOJBJXKFSA-N 2 2 390.528 0.843 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194430943 1197399208 /nfs/dbraw/zinc/39/92/08/1197399208.db2.gz HGAMKBMEHRTZQM-WOJBJXKFSA-N 2 2 390.528 0.843 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000245562305 1197411085 /nfs/dbraw/zinc/41/10/85/1197411085.db2.gz CMUXRPBQIJHKMK-DLBZAZTESA-N 2 2 399.561 0.942 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000245562305 1197411087 /nfs/dbraw/zinc/41/10/87/1197411087.db2.gz CMUXRPBQIJHKMK-DLBZAZTESA-N 2 2 399.561 0.942 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)CC1 ZINC000245899187 1197437323 /nfs/dbraw/zinc/43/73/23/1197437323.db2.gz FNBJAQUEJGXRNX-PMACEKPBSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)CC1 ZINC000245899187 1197437326 /nfs/dbraw/zinc/43/73/26/1197437326.db2.gz FNBJAQUEJGXRNX-PMACEKPBSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[NH+](CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000245899187 1197437327 /nfs/dbraw/zinc/43/73/27/1197437327.db2.gz FNBJAQUEJGXRNX-PMACEKPBSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[NH+](CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000245899187 1197437328 /nfs/dbraw/zinc/43/73/28/1197437328.db2.gz FNBJAQUEJGXRNX-PMACEKPBSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@H]2CCN(CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000245899187 1197437329 /nfs/dbraw/zinc/43/73/29/1197437329.db2.gz FNBJAQUEJGXRNX-PMACEKPBSA-N 2 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@H]2CCN(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000245899187 1197437331 /nfs/dbraw/zinc/43/73/31/1197437331.db2.gz FNBJAQUEJGXRNX-PMACEKPBSA-N 2 2 395.592 0.171 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000246450257 1197470522 /nfs/dbraw/zinc/47/05/22/1197470522.db2.gz ORHSJYTUIIYHNT-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000246450257 1197470524 /nfs/dbraw/zinc/47/05/24/1197470524.db2.gz ORHSJYTUIIYHNT-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000074657093 1197471882 /nfs/dbraw/zinc/47/18/82/1197471882.db2.gz NQPYTKIIOFXEJZ-RBUKOAKNSA-N 2 2 381.565 0.766 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000246566553 1197472793 /nfs/dbraw/zinc/47/27/93/1197472793.db2.gz BNIBGCBKOTYFFJ-QZTJIDSGSA-N 2 2 387.532 0.724 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000246566553 1197472795 /nfs/dbraw/zinc/47/27/95/1197472795.db2.gz BNIBGCBKOTYFFJ-QZTJIDSGSA-N 2 2 387.532 0.724 20 0 GCADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)S(C)(=O)=O ZINC000246576917 1197472851 /nfs/dbraw/zinc/47/28/51/1197472851.db2.gz 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MLNLBISLHRDZRD-YOEHRIQHSA-N 2 2 376.505 0.224 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000672598699 1199280420 /nfs/dbraw/zinc/28/04/20/1199280420.db2.gz YNVQFXSMZGPKTP-KURKYZTESA-N 2 2 380.533 0.735 20 0 GCADLP CC(C)C[C@H](CCO)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638500 1199288770 /nfs/dbraw/zinc/28/87/70/1199288770.db2.gz RCUVMUQXAWXKSM-DLBZAZTESA-N 2 2 382.549 0.432 20 0 GCADLP CC(C)C[C@H](CCO)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638500 1199288771 /nfs/dbraw/zinc/28/87/71/1199288771.db2.gz RCUVMUQXAWXKSM-DLBZAZTESA-N 2 2 382.549 0.432 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(Cc3ccccn3)C3CC3)C2)CC1 ZINC000672637642 1199289009 /nfs/dbraw/zinc/28/90/09/1199289009.db2.gz LNILCAUBVHDAHT-QGZVFWFLSA-N 2 2 385.512 0.857 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(Cc3ccccn3)C3CC3)C2)CC1 ZINC000672637642 1199289015 /nfs/dbraw/zinc/28/90/15/1199289015.db2.gz LNILCAUBVHDAHT-QGZVFWFLSA-N 2 2 385.512 0.857 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639544 1199291247 /nfs/dbraw/zinc/29/12/47/1199291247.db2.gz QDZJWBRFJIVVFR-ZWKOTPCHSA-N 3 2 391.560 0.215 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639544 1199291252 /nfs/dbraw/zinc/29/12/52/1199291252.db2.gz QDZJWBRFJIVVFR-ZWKOTPCHSA-N 3 2 391.560 0.215 20 0 GCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639078 1199293077 /nfs/dbraw/zinc/29/30/77/1199293077.db2.gz YOMNUBZJBRPQFQ-IRXDYDNUSA-N 3 2 379.549 0.119 20 0 GCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639078 1199293085 /nfs/dbraw/zinc/29/30/85/1199293085.db2.gz YOMNUBZJBRPQFQ-IRXDYDNUSA-N 3 2 379.549 0.119 20 0 GCADLP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639078 1199293090 /nfs/dbraw/zinc/29/30/90/1199293090.db2.gz YOMNUBZJBRPQFQ-IRXDYDNUSA-N 3 2 379.549 0.119 20 0 GCADLP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639078 1199293092 /nfs/dbraw/zinc/29/30/92/1199293092.db2.gz YOMNUBZJBRPQFQ-IRXDYDNUSA-N 3 2 379.549 0.119 20 0 GCADLP CSc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672639175 1199293117 /nfs/dbraw/zinc/29/31/17/1199293117.db2.gz IPLBKKSDYNKCHR-OAHLLOKOSA-N 2 2 391.541 0.704 20 0 GCADLP CSc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672639175 1199293120 /nfs/dbraw/zinc/29/31/20/1199293120.db2.gz IPLBKKSDYNKCHR-OAHLLOKOSA-N 2 2 391.541 0.704 20 0 GCADLP COCCC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000672640461 1199293329 /nfs/dbraw/zinc/29/33/29/1199293329.db2.gz JCRARKKLIMEFAD-INIZCTEOSA-N 2 2 380.533 0.594 20 0 GCADLP COCCC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000672640461 1199293337 /nfs/dbraw/zinc/29/33/37/1199293337.db2.gz JCRARKKLIMEFAD-INIZCTEOSA-N 2 2 380.533 0.594 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC34CCOCC4)C2)CC1 ZINC000672640565 1199293914 /nfs/dbraw/zinc/29/39/14/1199293914.db2.gz JZHJIBJQYOANKF-WMZOPIPTSA-N 2 2 392.544 0.737 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC34CCOCC4)C2)CC1 ZINC000672640565 1199293917 /nfs/dbraw/zinc/29/39/17/1199293917.db2.gz JZHJIBJQYOANKF-WMZOPIPTSA-N 2 2 392.544 0.737 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640419 1199294736 /nfs/dbraw/zinc/29/47/36/1199294736.db2.gz DSHBYTKSWRQXOM-RDJZCZTQSA-N 3 2 377.533 0.038 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640419 1199294739 /nfs/dbraw/zinc/29/47/39/1199294739.db2.gz DSHBYTKSWRQXOM-RDJZCZTQSA-N 3 2 377.533 0.038 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640419 1199294743 /nfs/dbraw/zinc/29/47/43/1199294743.db2.gz DSHBYTKSWRQXOM-RDJZCZTQSA-N 3 2 377.533 0.038 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640419 1199294747 /nfs/dbraw/zinc/29/47/47/1199294747.db2.gz DSHBYTKSWRQXOM-RDJZCZTQSA-N 3 2 377.533 0.038 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOC4(CCCC4)C3)C2)CC1 ZINC000672639958 1199296927 /nfs/dbraw/zinc/29/69/27/1199296927.db2.gz UWSGRWNOCBUWGF-INIZCTEOSA-N 2 2 378.517 0.443 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOC4(CCCC4)C3)C2)CC1 ZINC000672639958 1199296933 /nfs/dbraw/zinc/29/69/33/1199296933.db2.gz UWSGRWNOCBUWGF-INIZCTEOSA-N 2 2 378.517 0.443 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000672641307 1199297874 /nfs/dbraw/zinc/29/78/74/1199297874.db2.gz OYUOYBQBLVUMGE-QGZVFWFLSA-N 3 2 391.560 0.262 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000672641307 1199297876 /nfs/dbraw/zinc/29/78/76/1199297876.db2.gz OYUOYBQBLVUMGE-QGZVFWFLSA-N 3 2 391.560 0.262 20 0 GCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672641332 1199297943 /nfs/dbraw/zinc/29/79/43/1199297943.db2.gz PIXADJBOJKCJDM-KRWDZBQOSA-N 2 2 388.512 0.938 20 0 GCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672641332 1199297950 /nfs/dbraw/zinc/29/79/50/1199297950.db2.gz PIXADJBOJKCJDM-KRWDZBQOSA-N 2 2 388.512 0.938 20 0 GCADLP CCc1nc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672641425 1199298512 /nfs/dbraw/zinc/29/85/12/1199298512.db2.gz RIMJYUVQHGGOAG-CQSZACIVSA-N 2 2 393.557 0.949 20 0 GCADLP CCc1nc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672641425 1199298515 /nfs/dbraw/zinc/29/85/15/1199298515.db2.gz RIMJYUVQHGGOAG-CQSZACIVSA-N 2 2 393.557 0.949 20 0 GCADLP C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642456 1199300085 /nfs/dbraw/zinc/30/00/85/1199300085.db2.gz BBRREEZXWCVDHE-HUUCEWRRSA-N 2 2 395.548 0.033 20 0 GCADLP C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642456 1199300090 /nfs/dbraw/zinc/30/00/90/1199300090.db2.gz BBRREEZXWCVDHE-HUUCEWRRSA-N 2 2 395.548 0.033 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)CC1 ZINC000672642186 1199300638 /nfs/dbraw/zinc/30/06/38/1199300638.db2.gz YTURGDZKPAYZKG-DZOHQFGASA-N 2 2 390.528 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)CC1 ZINC000672642186 1199300640 /nfs/dbraw/zinc/30/06/40/1199300640.db2.gz YTURGDZKPAYZKG-DZOHQFGASA-N 2 2 390.528 0.345 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C2CC2)O1 ZINC000672642125 1199300712 /nfs/dbraw/zinc/30/07/12/1199300712.db2.gz YKIQHZVKFVOZPT-KYJSFNMBSA-N 2 2 378.517 0.297 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C2CC2)O1 ZINC000672642125 1199300716 /nfs/dbraw/zinc/30/07/16/1199300716.db2.gz YKIQHZVKFVOZPT-KYJSFNMBSA-N 2 2 378.517 0.297 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642562 1199300731 /nfs/dbraw/zinc/30/07/31/1199300731.db2.gz CQOQSDZSMXSPEP-HKUYNNGSSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642562 1199300735 /nfs/dbraw/zinc/30/07/35/1199300735.db2.gz CQOQSDZSMXSPEP-HKUYNNGSSA-N 3 2 391.560 0.358 20 0 GCADLP C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642457 1199300805 /nfs/dbraw/zinc/30/08/05/1199300805.db2.gz BBRREEZXWCVDHE-LSDHHAIUSA-N 2 2 395.548 0.033 20 0 GCADLP C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642457 1199300812 /nfs/dbraw/zinc/30/08/12/1199300812.db2.gz BBRREEZXWCVDHE-LSDHHAIUSA-N 2 2 395.548 0.033 20 0 GCADLP COCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672642491 1199301530 /nfs/dbraw/zinc/30/15/30/1199301530.db2.gz LWPLIHZYTWDUQM-QGZVFWFLSA-N 2 2 394.560 0.984 20 0 GCADLP COCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672642491 1199301535 /nfs/dbraw/zinc/30/15/35/1199301535.db2.gz LWPLIHZYTWDUQM-QGZVFWFLSA-N 2 2 394.560 0.984 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642950 1199302552 /nfs/dbraw/zinc/30/25/52/1199302552.db2.gz YNFGHJIABVSBOJ-FGTMMUONSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642950 1199302556 /nfs/dbraw/zinc/30/25/56/1199302556.db2.gz YNFGHJIABVSBOJ-FGTMMUONSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642950 1199302561 /nfs/dbraw/zinc/30/25/61/1199302561.db2.gz YNFGHJIABVSBOJ-FGTMMUONSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642950 1199302567 /nfs/dbraw/zinc/30/25/67/1199302567.db2.gz YNFGHJIABVSBOJ-FGTMMUONSA-N 3 2 393.576 0.508 20 0 GCADLP COCCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[C@H](C)C1 ZINC000672641747 1199303550 /nfs/dbraw/zinc/30/35/50/1199303550.db2.gz SYBWTFRVWQYCII-YQVWRLOYSA-N 2 2 394.560 0.935 20 0 GCADLP COCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[C@H](C)C1 ZINC000672641747 1199303558 /nfs/dbraw/zinc/30/35/58/1199303558.db2.gz SYBWTFRVWQYCII-YQVWRLOYSA-N 2 2 394.560 0.935 20 0 GCADLP COCCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CC[C@@H](C)C1 ZINC000672641744 1199303853 /nfs/dbraw/zinc/30/38/53/1199303853.db2.gz SYBWTFRVWQYCII-LMMKCTJWSA-N 2 2 394.560 0.935 20 0 GCADLP COCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CC[C@@H](C)C1 ZINC000672641744 1199303855 /nfs/dbraw/zinc/30/38/55/1199303855.db2.gz SYBWTFRVWQYCII-LMMKCTJWSA-N 2 2 394.560 0.935 20 0 GCADLP CCO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C12CCC2 ZINC000672643000 1199305068 /nfs/dbraw/zinc/30/50/68/1199305068.db2.gz MIJOHBNJGMDRNP-KBAYOESNSA-N 2 2 392.544 0.735 20 0 GCADLP CCO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C12CCC2 ZINC000672643000 1199305070 /nfs/dbraw/zinc/30/50/70/1199305070.db2.gz MIJOHBNJGMDRNP-KBAYOESNSA-N 2 2 392.544 0.735 20 0 GCADLP Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672642884 1199305144 /nfs/dbraw/zinc/30/51/44/1199305144.db2.gz IXAMVMRUWHNQEY-DOTOQJQBSA-N 2 2 389.500 0.931 20 0 GCADLP Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672642884 1199305149 /nfs/dbraw/zinc/30/51/49/1199305149.db2.gz IXAMVMRUWHNQEY-DOTOQJQBSA-N 2 2 389.500 0.931 20 0 GCADLP CCC(CC)N(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642659 1199305381 /nfs/dbraw/zinc/30/53/81/1199305381.db2.gz SBOQEHSUWNDLNT-MRXNPFEDSA-N 2 2 382.549 0.935 20 0 GCADLP CCC(CC)N(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642659 1199305384 /nfs/dbraw/zinc/30/53/84/1199305384.db2.gz SBOQEHSUWNDLNT-MRXNPFEDSA-N 2 2 382.549 0.935 20 0 GCADLP COC[C@@H]1CCCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642696 1199305415 /nfs/dbraw/zinc/30/54/15/1199305415.db2.gz DRWDSRGSNBLJJI-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP COC[C@@H]1CCCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642696 1199305417 /nfs/dbraw/zinc/30/54/17/1199305417.db2.gz DRWDSRGSNBLJJI-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC4(C3)CCOCC4)C2)CC1 ZINC000672642840 1199305588 /nfs/dbraw/zinc/30/55/88/1199305588.db2.gz WECOFAYXXAYJQA-MRXNPFEDSA-N 2 2 378.517 0.300 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC4(C3)CCOCC4)C2)CC1 ZINC000672642840 1199305595 /nfs/dbraw/zinc/30/55/95/1199305595.db2.gz WECOFAYXXAYJQA-MRXNPFEDSA-N 2 2 378.517 0.300 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643006 1199305837 /nfs/dbraw/zinc/30/58/37/1199305837.db2.gz MLHWMPUOEILGLU-OWCLPIDISA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643006 1199305842 /nfs/dbraw/zinc/30/58/42/1199305842.db2.gz MLHWMPUOEILGLU-OWCLPIDISA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000672643006 1199305847 /nfs/dbraw/zinc/30/58/47/1199305847.db2.gz MLHWMPUOEILGLU-OWCLPIDISA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000672643006 1199305853 /nfs/dbraw/zinc/30/58/53/1199305853.db2.gz MLHWMPUOEILGLU-OWCLPIDISA-N 3 2 377.533 0.013 20 0 GCADLP CCC(CC)N(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642658 1199306238 /nfs/dbraw/zinc/30/62/38/1199306238.db2.gz SBOQEHSUWNDLNT-INIZCTEOSA-N 2 2 382.549 0.935 20 0 GCADLP CCC(CC)N(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642658 1199306242 /nfs/dbraw/zinc/30/62/42/1199306242.db2.gz SBOQEHSUWNDLNT-INIZCTEOSA-N 2 2 382.549 0.935 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672692648 1199317553 /nfs/dbraw/zinc/31/75/53/1199317553.db2.gz HIHOPNDJQWGLLR-PKOBYXMFSA-N 3 2 393.576 0.604 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672692648 1199317557 /nfs/dbraw/zinc/31/75/57/1199317557.db2.gz HIHOPNDJQWGLLR-PKOBYXMFSA-N 3 2 393.576 0.604 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)N3CC[N@H+](CCO)C(C)(C)C3)ccn2)CC1 ZINC000672712995 1199322228 /nfs/dbraw/zinc/32/22/28/1199322228.db2.gz JORVRTWOVQNZHU-UHFFFAOYSA-N 2 2 390.532 0.432 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)ccn2)CC1 ZINC000672712995 1199322232 /nfs/dbraw/zinc/32/22/32/1199322232.db2.gz JORVRTWOVQNZHU-UHFFFAOYSA-N 2 2 390.532 0.432 20 0 GCADLP C[C@H](Cc1ccncc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673104571 1199422495 /nfs/dbraw/zinc/42/24/95/1199422495.db2.gz OSCVROYSNIWSHV-VQIMIIECSA-N 2 2 387.528 0.756 20 0 GCADLP C[C@H](Cc1ccncc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673104571 1199422498 /nfs/dbraw/zinc/42/24/98/1199422498.db2.gz OSCVROYSNIWSHV-VQIMIIECSA-N 2 2 387.528 0.756 20 0 GCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2c[nH+]cc2C)C1 ZINC001003192680 1199448547 /nfs/dbraw/zinc/44/85/47/1199448547.db2.gz CRBRRIUGFFPQEF-NCOADZHNSA-N 2 2 375.473 0.160 20 0 GCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2c[nH+]cc2C)C1 ZINC001003192680 1199448549 /nfs/dbraw/zinc/44/85/49/1199448549.db2.gz CRBRRIUGFFPQEF-NCOADZHNSA-N 2 2 375.473 0.160 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000673174331 1199463980 /nfs/dbraw/zinc/46/39/80/1199463980.db2.gz FHRXMQNPAUFOBB-NEPXVJNWSA-N 2 2 388.512 0.458 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000673174331 1199463984 /nfs/dbraw/zinc/46/39/84/1199463984.db2.gz FHRXMQNPAUFOBB-NEPXVJNWSA-N 2 2 388.512 0.458 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000673174331 1199463986 /nfs/dbraw/zinc/46/39/86/1199463986.db2.gz FHRXMQNPAUFOBB-NEPXVJNWSA-N 2 2 388.512 0.458 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673174331 1199463995 /nfs/dbraw/zinc/46/39/95/1199463995.db2.gz FHRXMQNPAUFOBB-NEPXVJNWSA-N 2 2 388.512 0.458 20 0 GCADLP CC(C)[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079100279 1199476732 /nfs/dbraw/zinc/47/67/32/1199476732.db2.gz CLLASLXTAYHNNR-RBUKOAKNSA-N 2 2 383.581 0.914 20 0 GCADLP CC(C)[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000079100267 1199476848 /nfs/dbraw/zinc/47/68/48/1199476848.db2.gz CLLASLXTAYHNNR-OALUTQOASA-N 2 2 383.581 0.914 20 0 GCADLP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000673270057 1199513034 /nfs/dbraw/zinc/51/30/34/1199513034.db2.gz WIRYWXAUCSMHRM-SFHVURJKSA-N 2 2 382.549 0.935 20 0 GCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000673287442 1199518255 /nfs/dbraw/zinc/51/82/55/1199518255.db2.gz YTBFVEMIPOAQLE-YJBOKZPZSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000673287442 1199518259 /nfs/dbraw/zinc/51/82/59/1199518259.db2.gz YTBFVEMIPOAQLE-YJBOKZPZSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287442 1199518263 /nfs/dbraw/zinc/51/82/63/1199518263.db2.gz YTBFVEMIPOAQLE-YJBOKZPZSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287442 1199518266 /nfs/dbraw/zinc/51/82/66/1199518266.db2.gz YTBFVEMIPOAQLE-YJBOKZPZSA-N 2 2 388.512 0.593 20 0 GCADLP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673299400 1199526614 /nfs/dbraw/zinc/52/66/14/1199526614.db2.gz DEZMDSFXSCXODC-INIZCTEOSA-N 2 2 389.500 0.082 20 0 GCADLP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673299400 1199526615 /nfs/dbraw/zinc/52/66/15/1199526615.db2.gz DEZMDSFXSCXODC-INIZCTEOSA-N 2 2 389.500 0.082 20 0 GCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673301534 1199526657 /nfs/dbraw/zinc/52/66/57/1199526657.db2.gz WTHUBTGLWKVSPZ-MSOLQXFVSA-N 2 2 385.512 0.967 20 0 GCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673301534 1199526664 /nfs/dbraw/zinc/52/66/64/1199526664.db2.gz WTHUBTGLWKVSPZ-MSOLQXFVSA-N 2 2 385.512 0.967 20 0 GCADLP C[C@H](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000673307571 1199528991 /nfs/dbraw/zinc/52/89/91/1199528991.db2.gz GXOLXJMIHXNIQY-MSOLQXFVSA-N 2 2 380.533 0.690 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673326296 1199540507 /nfs/dbraw/zinc/54/05/07/1199540507.db2.gz VGNQEMUYZAHVHY-JFRXWTBNSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673326296 1199540509 /nfs/dbraw/zinc/54/05/09/1199540509.db2.gz VGNQEMUYZAHVHY-JFRXWTBNSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000673326296 1199540513 /nfs/dbraw/zinc/54/05/13/1199540513.db2.gz VGNQEMUYZAHVHY-JFRXWTBNSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673326296 1199540516 /nfs/dbraw/zinc/54/05/16/1199540516.db2.gz VGNQEMUYZAHVHY-JFRXWTBNSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H]1CCC[N@H+](CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000079983859 1199561375 /nfs/dbraw/zinc/56/13/75/1199561375.db2.gz IQNHHSQNFZZSDQ-KRWDZBQOSA-N 2 2 375.521 0.630 20 0 GCADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000079983859 1199561379 /nfs/dbraw/zinc/56/13/79/1199561379.db2.gz IQNHHSQNFZZSDQ-KRWDZBQOSA-N 2 2 375.521 0.630 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673436224 1199644461 /nfs/dbraw/zinc/64/44/61/1199644461.db2.gz IEAAGSZXLYADQZ-RTBURBONSA-N 2 2 394.560 0.935 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673436224 1199644465 /nfs/dbraw/zinc/64/44/65/1199644465.db2.gz IEAAGSZXLYADQZ-RTBURBONSA-N 2 2 394.560 0.935 20 0 GCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001003809651 1199676045 /nfs/dbraw/zinc/67/60/45/1199676045.db2.gz JFVUUVALTDDACY-IRWJRLHMSA-N 2 2 375.473 0.692 20 0 GCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001003809651 1199676051 /nfs/dbraw/zinc/67/60/51/1199676051.db2.gz JFVUUVALTDDACY-IRWJRLHMSA-N 2 2 375.473 0.692 20 0 GCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001003807939 1199676175 /nfs/dbraw/zinc/67/61/75/1199676175.db2.gz JFVUUVALTDDACY-QIJZBDPFSA-N 2 2 375.473 0.692 20 0 GCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001003807939 1199676180 /nfs/dbraw/zinc/67/61/80/1199676180.db2.gz JFVUUVALTDDACY-QIJZBDPFSA-N 2 2 375.473 0.692 20 0 GCADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657745901 1199724764 /nfs/dbraw/zinc/72/47/64/1199724764.db2.gz TWEPPNBXUCUDEI-IBGZPJMESA-N 2 2 394.560 0.888 20 0 GCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657745901 1199724770 /nfs/dbraw/zinc/72/47/70/1199724770.db2.gz TWEPPNBXUCUDEI-IBGZPJMESA-N 2 2 394.560 0.888 20 0 GCADLP C[NH+](C)CCOc1cnccc1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000673552316 1199785591 /nfs/dbraw/zinc/78/55/91/1199785591.db2.gz DAYJBXQHNQZGOH-UHFFFAOYSA-N 2 2 379.505 0.932 20 0 GCADLP C[NH+](C)CCOc1cnccc1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000673552316 1199785595 /nfs/dbraw/zinc/78/55/95/1199785595.db2.gz DAYJBXQHNQZGOH-UHFFFAOYSA-N 2 2 379.505 0.932 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)O2)CC[NH+]1C ZINC000330266819 1199855206 /nfs/dbraw/zinc/85/52/06/1199855206.db2.gz AHMIWDAZIUWHSM-MULDDASSSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)O2)CC[NH+]1C ZINC000330266819 1199855207 /nfs/dbraw/zinc/85/52/07/1199855207.db2.gz AHMIWDAZIUWHSM-MULDDASSSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)O2)CC[N@@H+]1C ZINC000330266819 1199855208 /nfs/dbraw/zinc/85/52/08/1199855208.db2.gz AHMIWDAZIUWHSM-MULDDASSSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)O2)CC[N@H+]1C ZINC000330266819 1199855210 /nfs/dbraw/zinc/85/52/10/1199855210.db2.gz AHMIWDAZIUWHSM-MULDDASSSA-N 2 2 380.533 0.636 20 0 GCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922870472 1199887867 /nfs/dbraw/zinc/88/78/67/1199887867.db2.gz MWZDPJARWXRBSH-UHFFFAOYSA-N 2 2 387.528 0.963 20 0 GCADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000673669779 1199926383 /nfs/dbraw/zinc/92/63/83/1199926383.db2.gz UELCWPJGHVPJJE-OAHLLOKOSA-N 2 2 380.514 0.541 20 0 GCADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000673669779 1199926384 /nfs/dbraw/zinc/92/63/84/1199926384.db2.gz UELCWPJGHVPJJE-OAHLLOKOSA-N 2 2 380.514 0.541 20 0 GCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000673872351 1199963803 /nfs/dbraw/zinc/96/38/03/1199963803.db2.gz FOCDYTUHXNEWSX-AWEZNQCLSA-N 2 2 376.505 0.605 20 0 GCADLP COc1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670504251 1200380619 /nfs/dbraw/zinc/38/06/19/1200380619.db2.gz BRWLSLHEKVGTFE-GOSISDBHSA-N 2 2 388.512 0.938 20 0 GCADLP COc1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670504251 1200380627 /nfs/dbraw/zinc/38/06/27/1200380627.db2.gz BRWLSLHEKVGTFE-GOSISDBHSA-N 2 2 388.512 0.938 20 0 GCADLP CN(C(=O)C(=O)NCC[C@@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000867441618 1200415492 /nfs/dbraw/zinc/41/54/92/1200415492.db2.gz TVYUBLQTQDFTTM-NVXWUHKLSA-N 2 2 382.574 0.873 20 0 GCADLP CN(C(=O)C(=O)NCC[C@@H]1CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000867441618 1200415497 /nfs/dbraw/zinc/41/54/97/1200415497.db2.gz TVYUBLQTQDFTTM-NVXWUHKLSA-N 2 2 382.574 0.873 20 0 GCADLP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000675536160 1200426923 /nfs/dbraw/zinc/42/69/23/1200426923.db2.gz HEKFJCYYGATMCH-KRWDZBQOSA-N 3 2 381.565 0.689 20 0 GCADLP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000675536160 1200426926 /nfs/dbraw/zinc/42/69/26/1200426926.db2.gz HEKFJCYYGATMCH-KRWDZBQOSA-N 3 2 381.565 0.689 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)OCC1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118047893 1200495502 /nfs/dbraw/zinc/49/55/02/1200495502.db2.gz YLNNGDHVMWEKIR-GOSISDBHSA-N 2 2 394.560 0.935 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)OCC1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118047893 1200495507 /nfs/dbraw/zinc/49/55/07/1200495507.db2.gz YLNNGDHVMWEKIR-GOSISDBHSA-N 2 2 394.560 0.935 20 0 GCADLP O=S(=O)(c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1)N1CCOCC1 ZINC000676238708 1200511794 /nfs/dbraw/zinc/51/17/94/1200511794.db2.gz VJFXAHOYJKMSTG-QGZVFWFLSA-N 2 2 383.514 0.254 20 0 GCADLP O=C1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)c(F)c2)CN1CC[NH+]1CCOCC1 ZINC000676420007 1200557506 /nfs/dbraw/zinc/55/75/06/1200557506.db2.gz ZNMFNGQTDYSSBF-MRXNPFEDSA-N 2 2 388.447 0.429 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)n2)CC1 ZINC000330208645 1200675463 /nfs/dbraw/zinc/67/54/63/1200675463.db2.gz GXEVPILZQKHPJH-QGZVFWFLSA-N 2 2 376.505 1.478 20 0 GCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000477066192 1200811672 /nfs/dbraw/zinc/81/16/72/1200811672.db2.gz LTADMQAOMYVRNR-KRWDZBQOSA-N 2 2 390.528 0.982 20 0 GCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000330017646 1200903377 /nfs/dbraw/zinc/90/33/77/1200903377.db2.gz RLWJLYHEUFMBRX-IAGOWNOFSA-N 2 2 378.521 1.409 20 0 GCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000330017646 1200903382 /nfs/dbraw/zinc/90/33/82/1200903382.db2.gz RLWJLYHEUFMBRX-IAGOWNOFSA-N 2 2 378.521 1.409 20 0 GCADLP CS(=O)(=O)C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000429378880 1200924855 /nfs/dbraw/zinc/92/48/55/1200924855.db2.gz ITCCDJHVTMLZDI-INIZCTEOSA-N 2 2 380.514 0.487 20 0 GCADLP CS(=O)(=O)C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000429378880 1200924860 /nfs/dbraw/zinc/92/48/60/1200924860.db2.gz ITCCDJHVTMLZDI-INIZCTEOSA-N 2 2 380.514 0.487 20 0 GCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923332837 1200953469 /nfs/dbraw/zinc/95/34/69/1200953469.db2.gz MFQFJQNCTXNJQQ-ZWKOTPCHSA-N 2 2 390.484 0.281 20 0 GCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923332837 1200953473 /nfs/dbraw/zinc/95/34/73/1200953473.db2.gz MFQFJQNCTXNJQQ-ZWKOTPCHSA-N 2 2 390.484 0.281 20 0 GCADLP CCOC1CC(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)([NH+]2CCOCC2)C1 ZINC000373061004 1200953949 /nfs/dbraw/zinc/95/39/49/1200953949.db2.gz YKFRILOGWCPSOZ-UHFFFAOYSA-N 2 2 394.520 0.836 20 0 GCADLP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331752 1200956503 /nfs/dbraw/zinc/95/65/03/1200956503.db2.gz FXTGXEFOQHYMGJ-IRXDYDNUSA-N 2 2 377.485 0.721 20 0 GCADLP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331752 1200956508 /nfs/dbraw/zinc/95/65/08/1200956508.db2.gz FXTGXEFOQHYMGJ-IRXDYDNUSA-N 2 2 377.485 0.721 20 0 GCADLP CS[C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1[NH+](C)C ZINC000329570435 1201045905 /nfs/dbraw/zinc/04/59/05/1201045905.db2.gz MGSXFVVGURSMSQ-HUUCEWRRSA-N 2 2 382.534 0.725 20 0 GCADLP O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000267637870 1201217991 /nfs/dbraw/zinc/21/79/91/1201217991.db2.gz ICDLYEGZWGUENI-UHFFFAOYSA-N 2 2 376.526 0.994 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000611394963 1201235723 /nfs/dbraw/zinc/23/57/23/1201235723.db2.gz YAFAXEGYDWDQLL-MRXNPFEDSA-N 2 2 383.537 0.291 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000611394963 1201235729 /nfs/dbraw/zinc/23/57/29/1201235729.db2.gz YAFAXEGYDWDQLL-MRXNPFEDSA-N 2 2 383.537 0.291 20 0 GCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001079719866 1201255224 /nfs/dbraw/zinc/25/52/24/1201255224.db2.gz HHGDROXCHMMIKR-BRSBDYLESA-N 2 2 383.500 0.882 20 0 GCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001079719866 1201255228 /nfs/dbraw/zinc/25/52/28/1201255228.db2.gz HHGDROXCHMMIKR-BRSBDYLESA-N 2 2 383.500 0.882 20 0 GCADLP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](OC)C2)c1 ZINC001081847016 1201305341 /nfs/dbraw/zinc/30/53/41/1201305341.db2.gz QCSGQPHYAMIEPT-HUYLIWGRSA-N 2 2 391.512 0.868 20 0 GCADLP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](OC)C2)c1 ZINC001081847016 1201305347 /nfs/dbraw/zinc/30/53/47/1201305347.db2.gz QCSGQPHYAMIEPT-HUYLIWGRSA-N 2 2 391.512 0.868 20 0 GCADLP COCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](OC)C2)c1 ZINC001081847016 1201305351 /nfs/dbraw/zinc/30/53/51/1201305351.db2.gz QCSGQPHYAMIEPT-HUYLIWGRSA-N 2 2 391.512 0.868 20 0 GCADLP COCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](OC)C2)c1 ZINC001081847016 1201305356 /nfs/dbraw/zinc/30/53/56/1201305356.db2.gz QCSGQPHYAMIEPT-HUYLIWGRSA-N 2 2 391.512 0.868 20 0 GCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](OC)C2)c1 ZINC001081846833 1201305464 /nfs/dbraw/zinc/30/54/64/1201305464.db2.gz JXMANJUGTGLLDX-UTRMSSBJSA-N 2 2 377.485 0.730 20 0 GCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](OC)C2)c1 ZINC001081846833 1201305467 /nfs/dbraw/zinc/30/54/67/1201305467.db2.gz JXMANJUGTGLLDX-UTRMSSBJSA-N 2 2 377.485 0.730 20 0 GCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](OC)C2)c1 ZINC001081846833 1201305469 /nfs/dbraw/zinc/30/54/69/1201305469.db2.gz JXMANJUGTGLLDX-UTRMSSBJSA-N 2 2 377.485 0.730 20 0 GCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](OC)C2)c1 ZINC001081846833 1201305473 /nfs/dbraw/zinc/30/54/73/1201305473.db2.gz JXMANJUGTGLLDX-UTRMSSBJSA-N 2 2 377.485 0.730 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846639 1201307138 /nfs/dbraw/zinc/30/71/38/1201307138.db2.gz CNAMUJCXIPOXHB-RARDXLECSA-N 2 2 390.528 0.787 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846639 1201307143 /nfs/dbraw/zinc/30/71/43/1201307143.db2.gz CNAMUJCXIPOXHB-RARDXLECSA-N 2 2 390.528 0.787 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081846639 1201307148 /nfs/dbraw/zinc/30/71/48/1201307148.db2.gz CNAMUJCXIPOXHB-RARDXLECSA-N 2 2 390.528 0.787 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081846639 1201307155 /nfs/dbraw/zinc/30/71/55/1201307155.db2.gz CNAMUJCXIPOXHB-RARDXLECSA-N 2 2 390.528 0.787 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848294 1201307680 /nfs/dbraw/zinc/30/76/80/1201307680.db2.gz XELHKMQQJNJQAX-UTRMSSBJSA-N 2 2 393.532 0.807 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848294 1201307690 /nfs/dbraw/zinc/30/76/90/1201307690.db2.gz XELHKMQQJNJQAX-UTRMSSBJSA-N 2 2 393.532 0.807 20 0 GCADLP CO[C@@H]1C[NH+](Cc2cn(C(C)C)nc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848294 1201307698 /nfs/dbraw/zinc/30/76/98/1201307698.db2.gz XELHKMQQJNJQAX-UTRMSSBJSA-N 2 2 393.532 0.807 20 0 GCADLP CO[C@@H]1C[NH+](Cc2cn(C(C)C)nc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848294 1201307704 /nfs/dbraw/zinc/30/77/04/1201307704.db2.gz XELHKMQQJNJQAX-UTRMSSBJSA-N 2 2 393.532 0.807 20 0 GCADLP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149950 1201321228 /nfs/dbraw/zinc/32/12/28/1201321228.db2.gz XIQJKMSVUQFPJU-YFHUEUNASA-N 2 2 389.500 0.352 20 0 GCADLP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149950 1201321235 /nfs/dbraw/zinc/32/12/35/1201321235.db2.gz XIQJKMSVUQFPJU-YFHUEUNASA-N 2 2 389.500 0.352 20 0 GCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000516985770 1201334907 /nfs/dbraw/zinc/33/49/07/1201334907.db2.gz ULFBUZMTXUMGNX-GOSISDBHSA-N 2 2 389.544 0.771 20 0 GCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000516985771 1201335453 /nfs/dbraw/zinc/33/54/53/1201335453.db2.gz ULFBUZMTXUMGNX-SFHVURJKSA-N 2 2 389.544 0.771 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC(=O)NC)no3)C2)CC[N@@H+]1C ZINC001082522449 1201337830 /nfs/dbraw/zinc/33/78/30/1201337830.db2.gz IVELMAMQYLFZQG-LXTVHRRPSA-N 2 2 392.504 0.025 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC(=O)NC)no3)C2)CC[N@H+]1C ZINC001082522449 1201337836 /nfs/dbraw/zinc/33/78/36/1201337836.db2.gz IVELMAMQYLFZQG-LXTVHRRPSA-N 2 2 392.504 0.025 20 0 GCADLP C[C@H](CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663801 1201367687 /nfs/dbraw/zinc/36/76/87/1201367687.db2.gz XKSIHNDSUQGBLO-FGTMMUONSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[N@H+]1CCC[C@H](N2CCNC2=O)C1)[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663801 1201367691 /nfs/dbraw/zinc/36/76/91/1201367691.db2.gz XKSIHNDSUQGBLO-FGTMMUONSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[NH+]1CCC[C@H](N2CCNC2=O)C1)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663801 1201367695 /nfs/dbraw/zinc/36/76/95/1201367695.db2.gz XKSIHNDSUQGBLO-FGTMMUONSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[NH+]1CCC[C@H](N2CCNC2=O)C1)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663801 1201367697 /nfs/dbraw/zinc/36/76/97/1201367697.db2.gz XKSIHNDSUQGBLO-FGTMMUONSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccccc4F)C[C@@H]32)O1 ZINC001083119052 1201379977 /nfs/dbraw/zinc/37/99/77/1201379977.db2.gz ACAZOKLMIMSDOJ-XWPNQZOQSA-N 2 2 391.487 0.999 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccccc4F)C[C@@H]32)O1 ZINC001083119052 1201379983 /nfs/dbraw/zinc/37/99/83/1201379983.db2.gz ACAZOKLMIMSDOJ-XWPNQZOQSA-N 2 2 391.487 0.999 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccccc4F)C[C@@H]32)O1 ZINC001083119052 1201379988 /nfs/dbraw/zinc/37/99/88/1201379988.db2.gz ACAZOKLMIMSDOJ-XWPNQZOQSA-N 2 2 391.487 0.999 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccccc4F)C[C@@H]32)O1 ZINC001083119052 1201379993 /nfs/dbraw/zinc/37/99/93/1201379993.db2.gz ACAZOKLMIMSDOJ-XWPNQZOQSA-N 2 2 391.487 0.999 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]32)O1 ZINC001083119555 1201381271 /nfs/dbraw/zinc/38/12/71/1201381271.db2.gz ZPDHDRSCSJGOCI-XWPNQZOQSA-N 2 2 389.496 0.310 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]32)O1 ZINC001083119555 1201381277 /nfs/dbraw/zinc/38/12/77/1201381277.db2.gz ZPDHDRSCSJGOCI-XWPNQZOQSA-N 2 2 389.496 0.310 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(CO)cc4)C[C@@H]32)O1 ZINC001083119555 1201381285 /nfs/dbraw/zinc/38/12/85/1201381285.db2.gz ZPDHDRSCSJGOCI-XWPNQZOQSA-N 2 2 389.496 0.310 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@@H]32)O1 ZINC001083119555 1201381289 /nfs/dbraw/zinc/38/12/89/1201381289.db2.gz ZPDHDRSCSJGOCI-XWPNQZOQSA-N 2 2 389.496 0.310 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]32)O1 ZINC001083119614 1201381394 /nfs/dbraw/zinc/38/13/94/1201381394.db2.gz BVSXUIHUROVCFH-GSEOLPGOSA-N 2 2 389.496 0.696 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]32)O1 ZINC001083119614 1201381397 /nfs/dbraw/zinc/38/13/97/1201381397.db2.gz BVSXUIHUROVCFH-GSEOLPGOSA-N 2 2 389.496 0.696 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOc4ccccc4)C[C@@H]32)O1 ZINC001083119614 1201381401 /nfs/dbraw/zinc/38/14/01/1201381401.db2.gz BVSXUIHUROVCFH-GSEOLPGOSA-N 2 2 389.496 0.696 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOc4ccccc4)C[C@@H]32)O1 ZINC001083119614 1201381408 /nfs/dbraw/zinc/38/14/08/1201381408.db2.gz BVSXUIHUROVCFH-GSEOLPGOSA-N 2 2 389.496 0.696 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N4CCCCC4)C[C@@H]32)CC[N@@H+]1C ZINC001083087365 1201384194 /nfs/dbraw/zinc/38/41/94/1201384194.db2.gz FFHWZDCPJAKOSI-ZSYWTGECSA-N 2 2 392.544 0.641 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N4CCCCC4)C[C@@H]32)CC[N@H+]1C ZINC001083087365 1201384200 /nfs/dbraw/zinc/38/42/00/1201384200.db2.gz FFHWZDCPJAKOSI-ZSYWTGECSA-N 2 2 392.544 0.641 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@@H]32)CC[NH+]1C ZINC001083087365 1201384203 /nfs/dbraw/zinc/38/42/03/1201384203.db2.gz FFHWZDCPJAKOSI-ZSYWTGECSA-N 2 2 392.544 0.641 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@@H]32)CC[NH+]1C ZINC001083087365 1201384207 /nfs/dbraw/zinc/38/42/07/1201384207.db2.gz FFHWZDCPJAKOSI-ZSYWTGECSA-N 2 2 392.544 0.641 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cn(C)nc4C)C[C@@H]32)CC[N@@H+]1C ZINC001083087436 1201384277 /nfs/dbraw/zinc/38/42/77/1201384277.db2.gz JMIRFUMJLQQAEU-ZSYWTGECSA-N 2 2 375.517 0.870 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cn(C)nc4C)C[C@@H]32)CC[N@H+]1C ZINC001083087436 1201384285 /nfs/dbraw/zinc/38/42/85/1201384285.db2.gz JMIRFUMJLQQAEU-ZSYWTGECSA-N 2 2 375.517 0.870 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cn(C)nc4C)C[C@@H]32)CC[NH+]1C ZINC001083087436 1201384292 /nfs/dbraw/zinc/38/42/92/1201384292.db2.gz JMIRFUMJLQQAEU-ZSYWTGECSA-N 2 2 375.517 0.870 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cn(C)nc4C)C[C@@H]32)CC[NH+]1C ZINC001083087436 1201384297 /nfs/dbraw/zinc/38/42/97/1201384297.db2.gz JMIRFUMJLQQAEU-ZSYWTGECSA-N 2 2 375.517 0.870 20 0 GCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000175914087 1201492959 /nfs/dbraw/zinc/49/29/59/1201492959.db2.gz SYFLFVBRMCKRIT-IAGOWNOFSA-N 2 2 375.521 0.771 20 0 GCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731759916 1201501674 /nfs/dbraw/zinc/50/16/74/1201501674.db2.gz SWEQCECICCGOEN-AWEZNQCLSA-N 2 2 385.534 0.636 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4nnc5n4CCOC5)[C@H]3C2)CC[N@@H+]1C ZINC001084944160 1201503138 /nfs/dbraw/zinc/50/31/38/1201503138.db2.gz WTYOTXQAVXOCJS-VQHPVUNQSA-N 2 2 388.516 0.571 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4nnc5n4CCOC5)[C@H]3C2)CC[N@H+]1C ZINC001084944160 1201503142 /nfs/dbraw/zinc/50/31/42/1201503142.db2.gz WTYOTXQAVXOCJS-VQHPVUNQSA-N 2 2 388.516 0.571 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc5n4CCOC5)[C@H]3C2)CC[NH+]1C ZINC001084944160 1201503144 /nfs/dbraw/zinc/50/31/44/1201503144.db2.gz WTYOTXQAVXOCJS-VQHPVUNQSA-N 2 2 388.516 0.571 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc5n4CCOC5)[C@H]3C2)CC[NH+]1C ZINC001084944160 1201503146 /nfs/dbraw/zinc/50/31/46/1201503146.db2.gz WTYOTXQAVXOCJS-VQHPVUNQSA-N 2 2 388.516 0.571 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCOC3)O1 ZINC001085242329 1201647918 /nfs/dbraw/zinc/64/79/18/1201647918.db2.gz NHIUXYOEQBCORY-KLHDSHLOSA-N 2 2 392.504 0.044 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCOC3)O1 ZINC001085242329 1201647921 /nfs/dbraw/zinc/64/79/21/1201647921.db2.gz NHIUXYOEQBCORY-KLHDSHLOSA-N 2 2 392.504 0.044 20 0 GCADLP CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734512059 1201654789 /nfs/dbraw/zinc/65/47/89/1201654789.db2.gz AHLXOBNBEMYRGD-INIZCTEOSA-N 2 2 395.529 0.966 20 0 GCADLP CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734512059 1201654792 /nfs/dbraw/zinc/65/47/92/1201654792.db2.gz AHLXOBNBEMYRGD-INIZCTEOSA-N 2 2 395.529 0.966 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000046230438 1201911483 /nfs/dbraw/zinc/91/14/83/1201911483.db2.gz NTCGVQAXVCVTQW-UHFFFAOYSA-N 2 2 387.528 0.986 20 0 GCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(CN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC001169071413 1201931798 /nfs/dbraw/zinc/93/17/98/1201931798.db2.gz CIWMNUIBMXZCNI-CQSZACIVSA-N 2 2 384.440 0.494 20 0 GCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(C(=O)N2CCOCC2)c2ccccc2n1 ZINC001169072254 1201931915 /nfs/dbraw/zinc/93/19/15/1201931915.db2.gz PWZBUGQHRSGHOV-CQSZACIVSA-N 2 2 381.436 0.755 20 0 GCADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CO1 ZINC001169399779 1201946187 /nfs/dbraw/zinc/94/61/87/1201946187.db2.gz WSCQBPZTRUXUBE-HZPDHXFCSA-N 2 2 378.473 0.621 20 0 GCADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CO1 ZINC001169399779 1201946190 /nfs/dbraw/zinc/94/61/90/1201946190.db2.gz WSCQBPZTRUXUBE-HZPDHXFCSA-N 2 2 378.473 0.621 20 0 GCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399788 1202037677 /nfs/dbraw/zinc/03/76/77/1202037677.db2.gz XCJIWXWNLPOPLX-FZKCQIBNSA-N 2 2 379.505 0.426 20 0 GCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399788 1202037679 /nfs/dbraw/zinc/03/76/79/1202037679.db2.gz XCJIWXWNLPOPLX-FZKCQIBNSA-N 2 2 379.505 0.426 20 0 GCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399788 1202037680 /nfs/dbraw/zinc/03/76/80/1202037680.db2.gz XCJIWXWNLPOPLX-FZKCQIBNSA-N 2 2 379.505 0.426 20 0 GCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399788 1202037682 /nfs/dbraw/zinc/03/76/82/1202037682.db2.gz XCJIWXWNLPOPLX-FZKCQIBNSA-N 2 2 379.505 0.426 20 0 GCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109417914 1202041492 /nfs/dbraw/zinc/04/14/92/1202041492.db2.gz RAXJJQQESQIFKO-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109417914 1202041494 /nfs/dbraw/zinc/04/14/94/1202041494.db2.gz RAXJJQQESQIFKO-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109417914 1202041499 /nfs/dbraw/zinc/04/14/99/1202041499.db2.gz RAXJJQQESQIFKO-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109417914 1202041501 /nfs/dbraw/zinc/04/15/01/1202041501.db2.gz RAXJJQQESQIFKO-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449164 1202052197 /nfs/dbraw/zinc/05/21/97/1202052197.db2.gz IMBSYHJLCIHAHO-IKGGRYGDSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449164 1202052198 /nfs/dbraw/zinc/05/21/98/1202052198.db2.gz IMBSYHJLCIHAHO-IKGGRYGDSA-N 2 2 380.533 0.591 20 0 GCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001109463876 1202056733 /nfs/dbraw/zinc/05/67/33/1202056733.db2.gz BEFNAYTVQMXQHW-NCOADZHNSA-N 2 2 380.533 0.591 20 0 GCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001109463876 1202056737 /nfs/dbraw/zinc/05/67/37/1202056737.db2.gz BEFNAYTVQMXQHW-NCOADZHNSA-N 2 2 380.533 0.591 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109463876 1202056740 /nfs/dbraw/zinc/05/67/40/1202056740.db2.gz BEFNAYTVQMXQHW-NCOADZHNSA-N 2 2 380.533 0.591 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109463876 1202056742 /nfs/dbraw/zinc/05/67/42/1202056742.db2.gz BEFNAYTVQMXQHW-NCOADZHNSA-N 2 2 380.533 0.591 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109486227 1202062240 /nfs/dbraw/zinc/06/22/40/1202062240.db2.gz NNEGCOJBOKPJBY-KBXIAJHMSA-N 2 2 377.489 0.180 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109486227 1202062241 /nfs/dbraw/zinc/06/22/41/1202062241.db2.gz NNEGCOJBOKPJBY-KBXIAJHMSA-N 2 2 377.489 0.180 20 0 GCADLP COCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001109544789 1202077977 /nfs/dbraw/zinc/07/79/77/1202077977.db2.gz MYKZJTUMVMKORM-GFEQUFNTSA-N 2 2 381.517 0.624 20 0 GCADLP COCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001109544789 1202077979 /nfs/dbraw/zinc/07/79/79/1202077979.db2.gz MYKZJTUMVMKORM-GFEQUFNTSA-N 2 2 381.517 0.624 20 0 GCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)C1 ZINC001109643475 1202096957 /nfs/dbraw/zinc/09/69/57/1202096957.db2.gz JJBQPENXZVJMHU-OWSLCNJRSA-N 2 2 378.517 0.343 20 0 GCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)C1 ZINC001109643475 1202096960 /nfs/dbraw/zinc/09/69/60/1202096960.db2.gz JJBQPENXZVJMHU-OWSLCNJRSA-N 2 2 378.517 0.343 20 0 GCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)C1 ZINC001109643475 1202096965 /nfs/dbraw/zinc/09/69/65/1202096965.db2.gz JJBQPENXZVJMHU-OWSLCNJRSA-N 2 2 378.517 0.343 20 0 GCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)C1 ZINC001109643475 1202096967 /nfs/dbraw/zinc/09/69/67/1202096967.db2.gz JJBQPENXZVJMHU-OWSLCNJRSA-N 2 2 378.517 0.343 20 0 GCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109653695 1202098788 /nfs/dbraw/zinc/09/87/88/1202098788.db2.gz CEWWWYQATRQROX-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109653695 1202098790 /nfs/dbraw/zinc/09/87/90/1202098790.db2.gz CEWWWYQATRQROX-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655130 1202098973 /nfs/dbraw/zinc/09/89/73/1202098973.db2.gz HYVUMIHVEJHPNJ-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655130 1202098974 /nfs/dbraw/zinc/09/89/74/1202098974.db2.gz HYVUMIHVEJHPNJ-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653799 1202099038 /nfs/dbraw/zinc/09/90/38/1202099038.db2.gz HNYYPTOTGPQODO-PMPSAXMXSA-N 2 2 381.521 0.532 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653799 1202099040 /nfs/dbraw/zinc/09/90/40/1202099040.db2.gz HNYYPTOTGPQODO-PMPSAXMXSA-N 2 2 381.521 0.532 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109686797 1202104250 /nfs/dbraw/zinc/10/42/50/1202104250.db2.gz IRKQVDPENOSULN-WBTNSWJXSA-N 2 2 381.521 0.530 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109686797 1202104251 /nfs/dbraw/zinc/10/42/51/1202104251.db2.gz IRKQVDPENOSULN-WBTNSWJXSA-N 2 2 381.521 0.530 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729182 1202113182 /nfs/dbraw/zinc/11/31/82/1202113182.db2.gz XVQMAWCAWPRNHX-KBXIAJHMSA-N 2 2 381.521 0.530 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729182 1202113183 /nfs/dbraw/zinc/11/31/83/1202113183.db2.gz XVQMAWCAWPRNHX-KBXIAJHMSA-N 2 2 381.521 0.530 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109729182 1202113184 /nfs/dbraw/zinc/11/31/84/1202113184.db2.gz XVQMAWCAWPRNHX-KBXIAJHMSA-N 2 2 381.521 0.530 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109729182 1202113185 /nfs/dbraw/zinc/11/31/85/1202113185.db2.gz XVQMAWCAWPRNHX-KBXIAJHMSA-N 2 2 381.521 0.530 20 0 GCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798928 1202124344 /nfs/dbraw/zinc/12/43/44/1202124344.db2.gz YWYAMGSPNNNLRR-PMPSAXMXSA-N 2 2 379.505 0.286 20 0 GCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798928 1202124348 /nfs/dbraw/zinc/12/43/48/1202124348.db2.gz YWYAMGSPNNNLRR-PMPSAXMXSA-N 2 2 379.505 0.286 20 0 GCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849504 1202135683 /nfs/dbraw/zinc/13/56/83/1202135683.db2.gz VERUEKPPQXELBN-YVSFHVDLSA-N 2 2 380.533 0.733 20 0 GCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849504 1202135685 /nfs/dbraw/zinc/13/56/85/1202135685.db2.gz VERUEKPPQXELBN-YVSFHVDLSA-N 2 2 380.533 0.733 20 0 GCADLP 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 ZINC000771392753 1202139413 /nfs/dbraw/zinc/13/94/13/1202139413.db2.gz AIFNHGLSSGPWDB-MHORFTMASA-N 2 2 398.548 0.122 20 0 GCADLP 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 ZINC000771392753 1202139415 /nfs/dbraw/zinc/13/94/15/1202139415.db2.gz AIFNHGLSSGPWDB-MHORFTMASA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)CC[N@@H+]1C ZINC000771392753 1202139417 /nfs/dbraw/zinc/13/94/17/1202139417.db2.gz AIFNHGLSSGPWDB-MHORFTMASA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)CC[N@H+]1C ZINC000771392753 1202139419 /nfs/dbraw/zinc/13/94/19/1202139419.db2.gz AIFNHGLSSGPWDB-MHORFTMASA-N 2 2 398.548 0.122 20 0 GCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC(C)C ZINC001109928124 1202151643 /nfs/dbraw/zinc/15/16/43/1202151643.db2.gz ICMXFTFXKRDWQO-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC(C)C ZINC001109928124 1202151646 /nfs/dbraw/zinc/15/16/46/1202151646.db2.gz ICMXFTFXKRDWQO-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC(C)C ZINC001109928124 1202151652 /nfs/dbraw/zinc/15/16/52/1202151652.db2.gz ICMXFTFXKRDWQO-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC(C)C ZINC001109928124 1202151656 /nfs/dbraw/zinc/15/16/56/1202151656.db2.gz ICMXFTFXKRDWQO-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NCC(C)C ZINC001109932090 1202152875 /nfs/dbraw/zinc/15/28/75/1202152875.db2.gz BCPNBENIMKSEJR-PMPSAXMXSA-N 2 2 381.521 0.532 20 0 GCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NCC(C)C ZINC001109932090 1202152877 /nfs/dbraw/zinc/15/28/77/1202152877.db2.gz BCPNBENIMKSEJR-PMPSAXMXSA-N 2 2 381.521 0.532 20 0 GCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109932090 1202152878 /nfs/dbraw/zinc/15/28/78/1202152878.db2.gz BCPNBENIMKSEJR-PMPSAXMXSA-N 2 2 381.521 0.532 20 0 GCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109932090 1202152879 /nfs/dbraw/zinc/15/28/79/1202152879.db2.gz BCPNBENIMKSEJR-PMPSAXMXSA-N 2 2 381.521 0.532 20 0 GCADLP CN(C(=O)NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771776181 1202158480 /nfs/dbraw/zinc/15/84/80/1202158480.db2.gz DDOOAUQSEJQGSD-MSOLQXFVSA-N 2 2 396.532 0.718 20 0 GCADLP CN(C(=O)NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771776181 1202158482 /nfs/dbraw/zinc/15/84/82/1202158482.db2.gz DDOOAUQSEJQGSD-MSOLQXFVSA-N 2 2 396.532 0.718 20 0 GCADLP CN(C(=O)NC[C@H]1COC2(CCOCC2)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771776184 1202158794 /nfs/dbraw/zinc/15/87/94/1202158794.db2.gz DDOOAUQSEJQGSD-ROUUACIJSA-N 2 2 396.532 0.718 20 0 GCADLP CN(C(=O)NC[C@H]1COC2(CCOCC2)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771776184 1202158795 /nfs/dbraw/zinc/15/87/95/1202158795.db2.gz DDOOAUQSEJQGSD-ROUUACIJSA-N 2 2 396.532 0.718 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)(C)C ZINC001109976139 1202164819 /nfs/dbraw/zinc/16/48/19/1202164819.db2.gz SZOLTVSUEOMKAQ-KBMXLJTQSA-N 2 2 376.505 0.782 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)(C)C ZINC001109976139 1202164820 /nfs/dbraw/zinc/16/48/20/1202164820.db2.gz SZOLTVSUEOMKAQ-KBMXLJTQSA-N 2 2 376.505 0.782 20 0 GCADLP CCCN(CCC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977460 1202165327 /nfs/dbraw/zinc/16/53/27/1202165327.db2.gz JUCNKPDETPAYHN-SQNIBIBYSA-N 2 2 382.549 0.935 20 0 GCADLP CCCN(CCC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977460 1202165328 /nfs/dbraw/zinc/16/53/28/1202165328.db2.gz JUCNKPDETPAYHN-SQNIBIBYSA-N 2 2 382.549 0.935 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110006058 1202172576 /nfs/dbraw/zinc/17/25/76/1202172576.db2.gz SWALVZKCDGUWMB-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110006058 1202172578 /nfs/dbraw/zinc/17/25/78/1202172578.db2.gz SWALVZKCDGUWMB-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110014645 1202175402 /nfs/dbraw/zinc/17/54/02/1202175402.db2.gz BHJHBXYEMKMTHJ-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110014645 1202175403 /nfs/dbraw/zinc/17/54/03/1202175403.db2.gz BHJHBXYEMKMTHJ-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110014645 1202175404 /nfs/dbraw/zinc/17/54/04/1202175404.db2.gz BHJHBXYEMKMTHJ-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110014645 1202175406 /nfs/dbraw/zinc/17/54/06/1202175406.db2.gz BHJHBXYEMKMTHJ-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c1C ZINC000787908207 1205407208 /nfs/dbraw/zinc/40/72/08/1205407208.db2.gz HNITXEOGGMMNMG-UHFFFAOYSA-N 2 2 391.516 0.467 20 0 GCADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nnnn1C1CC1 ZINC000790269223 1205461736 /nfs/dbraw/zinc/46/17/36/1205461736.db2.gz ZHMBUWBLOZDFAI-CYBMUJFWSA-N 2 2 376.509 0.927 20 0 GCADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790732459 1205470625 /nfs/dbraw/zinc/47/06/25/1205470625.db2.gz LOMUDULLVXHBNB-CZUORRHYSA-N 2 2 376.509 0.879 20 0 GCADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790732459 1205470626 /nfs/dbraw/zinc/47/06/26/1205470626.db2.gz LOMUDULLVXHBNB-CZUORRHYSA-N 2 2 376.509 0.879 20 0 GCADLP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000792450354 1205487541 /nfs/dbraw/zinc/48/75/41/1205487541.db2.gz FQGXVDMRIYWRGY-UHFFFAOYSA-N 2 2 398.548 0.844 20 0 GCADLP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000792450354 1205487542 /nfs/dbraw/zinc/48/75/42/1205487542.db2.gz FQGXVDMRIYWRGY-UHFFFAOYSA-N 2 2 398.548 0.844 20 0 GCADLP C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000793631830 1205501221 /nfs/dbraw/zinc/50/12/21/1205501221.db2.gz OOVYUSODDYRHQC-CRAIPNDOSA-N 2 2 388.512 0.641 20 0 GCADLP C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000793631830 1205501223 /nfs/dbraw/zinc/50/12/23/1205501223.db2.gz OOVYUSODDYRHQC-CRAIPNDOSA-N 2 2 388.512 0.641 20 0 GCADLP Cc1ncc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000806211862 1205551849 /nfs/dbraw/zinc/55/18/49/1205551849.db2.gz ONMQJNFWUJAXMO-AWEZNQCLSA-N 2 2 379.530 0.395 20 0 GCADLP Cc1ncc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000806211862 1205551851 /nfs/dbraw/zinc/55/18/51/1205551851.db2.gz ONMQJNFWUJAXMO-AWEZNQCLSA-N 2 2 379.530 0.395 20 0 GCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806210526 1205551878 /nfs/dbraw/zinc/55/18/78/1205551878.db2.gz SLHUPVOBVFSGQP-BQFCYCMXSA-N 3 2 379.549 0.260 20 0 GCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806210526 1205551881 /nfs/dbraw/zinc/55/18/81/1205551881.db2.gz SLHUPVOBVFSGQP-BQFCYCMXSA-N 3 2 379.549 0.260 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806502853 1205557771 /nfs/dbraw/zinc/55/77/71/1205557771.db2.gz JDLJXKMMOPDZNO-QRQLOZEOSA-N 3 2 393.576 0.602 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806502853 1205557774 /nfs/dbraw/zinc/55/77/74/1205557774.db2.gz JDLJXKMMOPDZNO-QRQLOZEOSA-N 3 2 393.576 0.602 20 0 GCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130675604 1205559945 /nfs/dbraw/zinc/55/99/45/1205559945.db2.gz YBHCXTHTDHLGGG-XLMAVXFVSA-N 2 2 386.500 0.878 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3COC4=O)C2)CC1 ZINC000808939335 1205614949 /nfs/dbraw/zinc/61/49/49/1205614949.db2.gz GJRAUPXRACNWQI-ZDUSSCGKSA-N 2 2 386.452 0.580 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3COC4=O)C2)CC1 ZINC000808939335 1205614950 /nfs/dbraw/zinc/61/49/50/1205614950.db2.gz GJRAUPXRACNWQI-ZDUSSCGKSA-N 2 2 386.452 0.580 20 0 GCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809942702 1205631737 /nfs/dbraw/zinc/63/17/37/1205631737.db2.gz MUAXWSYKLLBIRH-LJQANCHMSA-N 2 2 386.537 0.748 20 0 GCADLP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172261922 1205715183 /nfs/dbraw/zinc/71/51/83/1205715183.db2.gz ZHQQCJZNYJATLB-LUKYLMHMSA-N 2 2 392.452 0.635 20 0 GCADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)CC1 ZINC001172252630 1205715406 /nfs/dbraw/zinc/71/54/06/1205715406.db2.gz UFXXAUAGCHXDSF-OAQYLSRUSA-N 2 2 394.560 0.890 20 0 GCADLP COCCC[NH+]1CCC([N@H+]2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)CC1 ZINC001172252630 1205715408 /nfs/dbraw/zinc/71/54/08/1205715408.db2.gz UFXXAUAGCHXDSF-OAQYLSRUSA-N 2 2 394.560 0.890 20 0 GCADLP CC(C)COCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172470954 1205715891 /nfs/dbraw/zinc/71/58/91/1205715891.db2.gz HIULCZTUCXKVFO-XIRDDKMYSA-N 2 2 379.505 0.853 20 0 GCADLP CC[C@@]1(C(=O)OC)C[C@@H]([NH+]2CCN(CC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173542981 1205722961 /nfs/dbraw/zinc/72/29/61/1205722961.db2.gz PYWSEZSVVFWONU-BEFAXECRSA-N 2 2 384.521 0.894 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1nnn(C(C)(C)C)n1 ZINC001095242012 1205725845 /nfs/dbraw/zinc/72/58/45/1205725845.db2.gz BYPQCXSRIBYEPG-UGUYLWEFSA-N 2 2 375.521 0.786 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1nnn(C(C)(C)C)n1 ZINC001095242012 1205725846 /nfs/dbraw/zinc/72/58/46/1205725846.db2.gz BYPQCXSRIBYEPG-UGUYLWEFSA-N 2 2 375.521 0.786 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001095242012 1205725847 /nfs/dbraw/zinc/72/58/47/1205725847.db2.gz BYPQCXSRIBYEPG-UGUYLWEFSA-N 2 2 375.521 0.786 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001095242012 1205725848 /nfs/dbraw/zinc/72/58/48/1205725848.db2.gz BYPQCXSRIBYEPG-UGUYLWEFSA-N 2 2 375.521 0.786 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+]([C@@H]2CCC[C@H](n4ncnn4)C2)CC3)CC1 ZINC001173753868 1205727782 /nfs/dbraw/zinc/72/77/82/1205727782.db2.gz PPTVOIBBPHUHQY-MSOLQXFVSA-N 2 2 385.520 0.617 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+]([C@@H]2CCC[C@H](n4ncnn4)C2)CC3)CC1 ZINC001173753868 1205727783 /nfs/dbraw/zinc/72/77/83/1205727783.db2.gz PPTVOIBBPHUHQY-MSOLQXFVSA-N 2 2 385.520 0.617 20 0 GCADLP Cn1ccnc1C1(O)CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001175846095 1205741392 /nfs/dbraw/zinc/74/13/92/1205741392.db2.gz UVBVORFPWXTPCM-UHFFFAOYSA-N 2 2 398.511 0.837 20 0 GCADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177083386 1205760458 /nfs/dbraw/zinc/76/04/58/1205760458.db2.gz BNSUSOZJIVIAKI-HUUCEWRRSA-N 2 2 381.477 0.635 20 0 GCADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177083386 1205760459 /nfs/dbraw/zinc/76/04/59/1205760459.db2.gz BNSUSOZJIVIAKI-HUUCEWRRSA-N 2 2 381.477 0.635 20 0 GCADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)c1 ZINC001177636815 1205773471 /nfs/dbraw/zinc/77/34/71/1205773471.db2.gz GXLMPAKLENNJSK-UHFFFAOYSA-N 2 2 380.470 0.508 20 0 GCADLP Cn1nnc2c1CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001177993752 1205780686 /nfs/dbraw/zinc/78/06/86/1205780686.db2.gz OLRGHHDZFDINOF-INIZCTEOSA-N 2 2 387.488 0.709 20 0 GCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001178101947 1205781929 /nfs/dbraw/zinc/78/19/29/1205781929.db2.gz GSBIBDNPSYNDPD-LUKYLMHMSA-N 2 2 382.468 0.893 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3ncccc3F)CC2)C1=O ZINC001178478804 1205787929 /nfs/dbraw/zinc/78/79/29/1205787929.db2.gz FKSWGRRILMNNDU-UHFFFAOYSA-N 2 2 391.491 0.460 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3ncccc3F)CC2)C1=O ZINC001178478804 1205787930 /nfs/dbraw/zinc/78/79/30/1205787930.db2.gz FKSWGRRILMNNDU-UHFFFAOYSA-N 2 2 391.491 0.460 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)/C=C/C(F)(F)F)CC2)C1=O ZINC001179923437 1205815664 /nfs/dbraw/zinc/81/56/64/1205815664.db2.gz JSOQFEYKDMGKSM-SNAWJCMRSA-N 2 2 376.423 0.802 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)/C=C/C(F)(F)F)CC2)C1=O ZINC001179923437 1205815665 /nfs/dbraw/zinc/81/56/65/1205815665.db2.gz JSOQFEYKDMGKSM-SNAWJCMRSA-N 2 2 376.423 0.802 20 0 GCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC001180408883 1205824618 /nfs/dbraw/zinc/82/46/18/1205824618.db2.gz SQSNRXWADRTZQY-FGTMMUONSA-N 2 2 375.469 0.354 20 0 GCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC001180408883 1205824621 /nfs/dbraw/zinc/82/46/21/1205824621.db2.gz SQSNRXWADRTZQY-FGTMMUONSA-N 2 2 375.469 0.354 20 0 GCADLP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001180408883 1205824623 /nfs/dbraw/zinc/82/46/23/1205824623.db2.gz SQSNRXWADRTZQY-FGTMMUONSA-N 2 2 375.469 0.354 20 0 GCADLP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001180408883 1205824625 /nfs/dbraw/zinc/82/46/25/1205824625.db2.gz SQSNRXWADRTZQY-FGTMMUONSA-N 2 2 375.469 0.354 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)C1 ZINC001180759351 1205831230 /nfs/dbraw/zinc/83/12/30/1205831230.db2.gz PCFDHRSDRXFHTM-KRWDZBQOSA-N 2 2 386.500 0.549 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)C1 ZINC001180759351 1205831233 /nfs/dbraw/zinc/83/12/33/1205831233.db2.gz PCFDHRSDRXFHTM-KRWDZBQOSA-N 2 2 386.500 0.549 20 0 GCADLP Nc1cc(CC(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)cc[nH+]1 ZINC001181248199 1205840501 /nfs/dbraw/zinc/84/05/01/1205840501.db2.gz FUGJQPFFTHOJSV-UHFFFAOYSA-N 2 2 378.440 0.920 20 0 GCADLP COCC1(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)CCC1 ZINC001181947890 1205852403 /nfs/dbraw/zinc/85/24/03/1205852403.db2.gz OMOLKABQEHSXRD-UHFFFAOYSA-N 2 2 380.533 0.500 20 0 GCADLP COCC1(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)CCC1 ZINC001181947890 1205852405 /nfs/dbraw/zinc/85/24/05/1205852405.db2.gz OMOLKABQEHSXRD-UHFFFAOYSA-N 2 2 380.533 0.500 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(C1)COCC[NH+](CC(=O)NC)C2 ZINC001181991547 1205853019 /nfs/dbraw/zinc/85/30/19/1205853019.db2.gz ALAYOTWEDQZRQT-XLIONFOSSA-N 2 2 380.533 0.548 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(C1)COCC[NH+](CC(=O)NC)C2 ZINC001181991547 1205853020 /nfs/dbraw/zinc/85/30/20/1205853020.db2.gz ALAYOTWEDQZRQT-XLIONFOSSA-N 2 2 380.533 0.548 20 0 GCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001181991547 1205853021 /nfs/dbraw/zinc/85/30/21/1205853021.db2.gz ALAYOTWEDQZRQT-XLIONFOSSA-N 2 2 380.533 0.548 20 0 GCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001181991547 1205853024 /nfs/dbraw/zinc/85/30/24/1205853024.db2.gz ALAYOTWEDQZRQT-XLIONFOSSA-N 2 2 380.533 0.548 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)NC2(CO)CC[NH+](C)CC2)C1 ZINC001182313848 1205863583 /nfs/dbraw/zinc/86/35/83/1205863583.db2.gz DCENKLOFULARPH-MRXNPFEDSA-N 2 2 398.548 0.891 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)NC2(CO)CC[NH+](C)CC2)C1 ZINC001182313848 1205863585 /nfs/dbraw/zinc/86/35/85/1205863585.db2.gz DCENKLOFULARPH-MRXNPFEDSA-N 2 2 398.548 0.891 20 0 GCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)COc1ccc(C[C@H]2SC(=O)NC2=O)cc1 ZINC001182550654 1205875394 /nfs/dbraw/zinc/87/53/94/1205875394.db2.gz SNMVDNFINGHMCM-CYBMUJFWSA-N 2 2 393.469 0.420 20 0 GCADLP CC(C)[C@H](C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)[NH+](C)C ZINC001183359994 1205891314 /nfs/dbraw/zinc/89/13/14/1205891314.db2.gz MPCBJUDYEASIEE-GOSISDBHSA-N 2 2 390.532 0.279 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C12CCC[NH+]1CCC2 ZINC001183557661 1205894978 /nfs/dbraw/zinc/89/49/78/1205894978.db2.gz SRICDAJOYCCSQS-LPHOPBHVSA-N 2 2 379.501 0.870 20 0 GCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001183919965 1205902856 /nfs/dbraw/zinc/90/28/56/1205902856.db2.gz ROWOJERMRNIZMI-GUYCJALGSA-N 2 2 398.577 0.404 20 0 GCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001183919965 1205902857 /nfs/dbraw/zinc/90/28/57/1205902857.db2.gz ROWOJERMRNIZMI-GUYCJALGSA-N 2 2 398.577 0.404 20 0 GCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001183919964 1205902892 /nfs/dbraw/zinc/90/28/92/1205902892.db2.gz ROWOJERMRNIZMI-DYVFJYSZSA-N 2 2 398.577 0.404 20 0 GCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001183919964 1205902893 /nfs/dbraw/zinc/90/28/93/1205902893.db2.gz ROWOJERMRNIZMI-DYVFJYSZSA-N 2 2 398.577 0.404 20 0 GCADLP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001185235826 1205918421 /nfs/dbraw/zinc/91/84/21/1205918421.db2.gz SJBOWZISZFZNGF-SFHVURJKSA-N 2 2 391.493 0.931 20 0 GCADLP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001185235826 1205918422 /nfs/dbraw/zinc/91/84/22/1205918422.db2.gz SJBOWZISZFZNGF-SFHVURJKSA-N 2 2 391.493 0.931 20 0 GCADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](O)C4)CC[C@@H]3C2)cs1 ZINC001186037728 1205933427 /nfs/dbraw/zinc/93/34/27/1205933427.db2.gz KUEBBACYYHPSQM-KBAYOESNSA-N 2 2 394.541 0.567 20 0 GCADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](O)C4)CC[C@@H]3C2)cs1 ZINC001186037728 1205933428 /nfs/dbraw/zinc/93/34/28/1205933428.db2.gz KUEBBACYYHPSQM-KBAYOESNSA-N 2 2 394.541 0.567 20 0 GCADLP Cc1nc(C[NH+]2CCO[C@@H]3CN(C(=O)C[N@@H+]4CC[C@@H](O)C4)CC[C@@H]3C2)cs1 ZINC001186037728 1205933431 /nfs/dbraw/zinc/93/34/31/1205933431.db2.gz KUEBBACYYHPSQM-KBAYOESNSA-N 2 2 394.541 0.567 20 0 GCADLP Cc1nc(C[NH+]2CCO[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](O)C4)CC[C@@H]3C2)cs1 ZINC001186037728 1205933432 /nfs/dbraw/zinc/93/34/32/1205933432.db2.gz KUEBBACYYHPSQM-KBAYOESNSA-N 2 2 394.541 0.567 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)C1 ZINC001186100742 1205934716 /nfs/dbraw/zinc/93/47/16/1205934716.db2.gz FHOZWEOYRNRYGD-HNNXBMFYSA-N 2 2 391.516 0.905 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)C1 ZINC001186100742 1205934717 /nfs/dbraw/zinc/93/47/17/1205934717.db2.gz FHOZWEOYRNRYGD-HNNXBMFYSA-N 2 2 391.516 0.905 20 0 GCADLP CCn1nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cc1C ZINC001190110786 1206027010 /nfs/dbraw/zinc/02/70/10/1206027010.db2.gz OJKYQSMCERNYTG-UHFFFAOYSA-N 2 2 390.532 0.522 20 0 GCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001164633148 719160468 /nfs/dbraw/zinc/16/04/68/719160468.db2.gz GUFTTWLYNJYDIR-HUUCEWRRSA-N 2 2 377.493 0.074 20 0 GCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001164633148 719160469 /nfs/dbraw/zinc/16/04/69/719160469.db2.gz GUFTTWLYNJYDIR-HUUCEWRRSA-N 2 2 377.493 0.074 20 0 GCADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164683644 719725760 /nfs/dbraw/zinc/72/57/60/719725760.db2.gz BJOWYARVALCFMQ-UHFFFAOYSA-N 2 2 386.456 0.925 20 0 GCADLP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164683644 719725778 /nfs/dbraw/zinc/72/57/78/719725778.db2.gz BJOWYARVALCFMQ-UHFFFAOYSA-N 2 2 386.456 0.925 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CC[NH2+]C2 ZINC001164707166 719846419 /nfs/dbraw/zinc/84/64/19/719846419.db2.gz ZSDFYZYSZQFXHB-LIRRHRJNSA-N 2 2 375.473 0.355 20 0 GCADLP Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cn1 ZINC001164712317 720072710 /nfs/dbraw/zinc/07/27/10/720072710.db2.gz OOSGSTJAMSMVDK-SJORKVTESA-N 2 2 381.484 0.951 20 0 GCADLP C[NH+]1CCN(c2ccc(N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)nn2)CC1 ZINC001164832036 720397124 /nfs/dbraw/zinc/39/71/24/720397124.db2.gz XYUJBWXDEJXENJ-UHFFFAOYSA-N 2 2 394.487 0.475 20 0 GCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001164821873 720450936 /nfs/dbraw/zinc/45/09/36/720450936.db2.gz AALXHJOIMBERHQ-INIZCTEOSA-N 2 2 399.499 0.266 20 0 GCADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164851423 720837685 /nfs/dbraw/zinc/83/76/85/720837685.db2.gz HBVDSUXVFRLUDT-DLBZAZTESA-N 2 2 377.489 0.487 20 0 GCADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164851423 720837689 /nfs/dbraw/zinc/83/76/89/720837689.db2.gz HBVDSUXVFRLUDT-DLBZAZTESA-N 2 2 377.489 0.487 20 0 GCADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164856076 720865756 /nfs/dbraw/zinc/86/57/56/720865756.db2.gz OJGDDOSSXODAMW-SJLPKXTDSA-N 3 2 390.532 0.578 20 0 GCADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164856076 720865757 /nfs/dbraw/zinc/86/57/57/720865757.db2.gz OJGDDOSSXODAMW-SJLPKXTDSA-N 3 2 390.532 0.578 20 0 GCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001165011414 721706192 /nfs/dbraw/zinc/70/61/92/721706192.db2.gz SECRFDLIEZDJQT-UHFFFAOYSA-N 2 2 385.520 0.728 20 0 GCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001165011414 721706199 /nfs/dbraw/zinc/70/61/99/721706199.db2.gz SECRFDLIEZDJQT-UHFFFAOYSA-N 2 2 385.520 0.728 20 0 GCADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cc(C5C[NH2+]C5)ncn4)CCO3)C2)c1 ZINC001164915335 721801503 /nfs/dbraw/zinc/80/15/03/721801503.db2.gz WKCKOGAUTVBSLO-OAQYLSRUSA-N 2 2 396.495 0.666 20 0 GCADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cc(C5C[NH2+]C5)ncn4)CCO3)C2)c1 ZINC001164915335 721801507 /nfs/dbraw/zinc/80/15/07/721801507.db2.gz WKCKOGAUTVBSLO-OAQYLSRUSA-N 2 2 396.495 0.666 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571264007 945473404 /nfs/dbraw/zinc/47/34/04/945473404.db2.gz DNBVUMDIQIVBJW-QGZVFWFLSA-N 2 2 385.472 0.278 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571264007 945473409 /nfs/dbraw/zinc/47/34/09/945473409.db2.gz DNBVUMDIQIVBJW-QGZVFWFLSA-N 2 2 385.472 0.278 20 0 GCADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571264088 945475777 /nfs/dbraw/zinc/47/57/77/945475777.db2.gz FTXWDGYWHGEEHG-OFLPRAFFSA-N 2 2 385.472 0.276 20 0 GCADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571264088 945475783 /nfs/dbraw/zinc/47/57/83/945475783.db2.gz FTXWDGYWHGEEHG-OFLPRAFFSA-N 2 2 385.472 0.276 20 0 GCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cc1c[nH+]cn1C ZINC001571272490 945664308 /nfs/dbraw/zinc/66/43/08/945664308.db2.gz UQUZFQIPAMLSIJ-RYUDHWBXSA-N 2 2 386.485 0.983 20 0 GCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821627246 945755702 /nfs/dbraw/zinc/75/57/02/945755702.db2.gz SVSOSNCUQKCRSB-UHFFFAOYSA-N 2 2 386.504 0.052 20 0 GCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821627246 945755707 /nfs/dbraw/zinc/75/57/07/945755707.db2.gz SVSOSNCUQKCRSB-UHFFFAOYSA-N 2 2 386.504 0.052 20 0 GCADLP CC(C)[C@@H](F)C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574081986 948846640 /nfs/dbraw/zinc/84/66/40/948846640.db2.gz YXUCLVHRYAEDEQ-MRXNPFEDSA-N 2 2 390.467 0.670 20 0 GCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574921120 948917161 /nfs/dbraw/zinc/91/71/61/948917161.db2.gz SPQYFDIWAHFEBB-GFCCVEGCSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574941232 949301066 /nfs/dbraw/zinc/30/10/66/949301066.db2.gz BXMVYDCGFYBUSV-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574941232 949301086 /nfs/dbraw/zinc/30/10/86/949301086.db2.gz BXMVYDCGFYBUSV-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265029 949438524 /nfs/dbraw/zinc/43/85/24/949438524.db2.gz RTLCTTNAIPVNTF-CXAGYDPISA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265029 949438532 /nfs/dbraw/zinc/43/85/32/949438532.db2.gz RTLCTTNAIPVNTF-CXAGYDPISA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266536 949480239 /nfs/dbraw/zinc/48/02/39/949480239.db2.gz ZCEGVLFEHRYYRI-DYVFJYSZSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266536 949480255 /nfs/dbraw/zinc/48/02/55/949480255.db2.gz ZCEGVLFEHRYYRI-DYVFJYSZSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711803 949556236 /nfs/dbraw/zinc/55/62/36/949556236.db2.gz MLDMSBQELMJGBO-CHWSQXEVSA-N 2 2 381.444 0.402 20 0 GCADLP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711875 949558887 /nfs/dbraw/zinc/55/88/87/949558887.db2.gz NJQDOQBJJSHGPH-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711875 949558898 /nfs/dbraw/zinc/55/88/98/949558898.db2.gz NJQDOQBJJSHGPH-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574959358 949706984 /nfs/dbraw/zinc/70/69/84/949706984.db2.gz QIFWZPQMIXIRPX-DAXOMENPSA-N 2 2 380.456 0.998 20 0 GCADLP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171299 949757852 /nfs/dbraw/zinc/75/78/52/949757852.db2.gz QDDNCFGGPBHWLA-XJKSGUPXSA-N 2 2 381.444 0.619 20 0 GCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574728463 949982980 /nfs/dbraw/zinc/98/29/80/949982980.db2.gz ATZAFQOVTWAUGG-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574728788 950012673 /nfs/dbraw/zinc/01/26/73/950012673.db2.gz JSDCOMPOLZBBBI-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574496520 950218613 /nfs/dbraw/zinc/21/86/13/950218613.db2.gz XDVDBDLATIIRFN-VXGBXAGGSA-N 2 2 390.473 0.343 20 0 GCADLP C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574497905 950249786 /nfs/dbraw/zinc/24/97/86/950249786.db2.gz GABLOHOHZZNJEV-RYUDHWBXSA-N 2 2 390.473 0.343 20 0 GCADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001574157752 950254895 /nfs/dbraw/zinc/25/48/95/950254895.db2.gz HVJXTBUTJCYWPO-CQSZACIVSA-N 2 2 383.460 0.913 20 0 GCADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575908433 950362654 /nfs/dbraw/zinc/36/26/54/950362654.db2.gz BZRRKPOYZLOGTQ-DYVFJYSZSA-N 2 2 380.456 0.922 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576204930 950484749 /nfs/dbraw/zinc/48/47/49/950484749.db2.gz SMCFRMDFCPYSIA-KRWDZBQOSA-N 2 2 384.488 0.722 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576205739 950540626 /nfs/dbraw/zinc/54/06/26/950540626.db2.gz OCVCATDERZFBJI-ZDUSSCGKSA-N 2 2 387.463 0.896 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576205739 950540643 /nfs/dbraw/zinc/54/06/43/950540643.db2.gz OCVCATDERZFBJI-ZDUSSCGKSA-N 2 2 387.463 0.896 20 0 GCADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574999666 950583427 /nfs/dbraw/zinc/58/34/27/950583427.db2.gz LHKOKJXOHMFYDT-GFCCVEGCSA-N 2 2 384.444 0.824 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576207808 950598415 /nfs/dbraw/zinc/59/84/15/950598415.db2.gz JMQSMHBDCGJIRM-SHFYGJNESA-N 2 2 382.472 0.829 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576207808 950598428 /nfs/dbraw/zinc/59/84/28/950598428.db2.gz JMQSMHBDCGJIRM-SHFYGJNESA-N 2 2 382.472 0.829 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576208671 950612865 /nfs/dbraw/zinc/61/28/65/950612865.db2.gz RYZXQZDATWPYTO-ZDUSSCGKSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576208671 950612902 /nfs/dbraw/zinc/61/29/02/950612902.db2.gz RYZXQZDATWPYTO-ZDUSSCGKSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576208671 950612939 /nfs/dbraw/zinc/61/29/39/950612939.db2.gz RYZXQZDATWPYTO-ZDUSSCGKSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576208671 950612969 /nfs/dbraw/zinc/61/29/69/950612969.db2.gz RYZXQZDATWPYTO-ZDUSSCGKSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576213854 950651371 /nfs/dbraw/zinc/65/13/71/950651371.db2.gz JMQSMHBDCGJIRM-LGWLGOQQSA-N 2 2 382.472 0.829 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576213854 950651382 /nfs/dbraw/zinc/65/13/82/950651382.db2.gz JMQSMHBDCGJIRM-LGWLGOQQSA-N 2 2 382.472 0.829 20 0 GCADLP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1c[nH+]cn1C ZINC001575926775 950721726 /nfs/dbraw/zinc/72/17/26/950721726.db2.gz LVWSNIQFZGYPDG-IUODEOHRSA-N 2 2 381.444 0.451 20 0 GCADLP C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001574771345 950913601 /nfs/dbraw/zinc/91/36/01/950913601.db2.gz BSVWQEMKUVLBAI-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001574771345 950913615 /nfs/dbraw/zinc/91/36/15/950913615.db2.gz BSVWQEMKUVLBAI-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574771345 950913632 /nfs/dbraw/zinc/91/36/32/950913632.db2.gz BSVWQEMKUVLBAI-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574771345 950913653 /nfs/dbraw/zinc/91/36/53/950913653.db2.gz BSVWQEMKUVLBAI-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575079922 951699648 /nfs/dbraw/zinc/69/96/48/951699648.db2.gz SXTRVXCAPXEMQG-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575079922 951699649 /nfs/dbraw/zinc/69/96/49/951699649.db2.gz SXTRVXCAPXEMQG-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575088521 951740121 /nfs/dbraw/zinc/74/01/21/951740121.db2.gz ATSJYAJWUOYAQQ-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575098111 951818651 /nfs/dbraw/zinc/81/86/51/951818651.db2.gz ASJZSTDUZIXEJK-YPMHNXCESA-N 2 2 379.490 0.195 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575098111 951818659 /nfs/dbraw/zinc/81/86/59/951818659.db2.gz ASJZSTDUZIXEJK-YPMHNXCESA-N 2 2 379.490 0.195 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571187762 952910200 /nfs/dbraw/zinc/91/02/00/952910200.db2.gz BSKAOFVFBZGWST-AWEZNQCLSA-N 2 2 381.444 0.458 20 0 GCADLP Cc1cc(N[C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188132 952912562 /nfs/dbraw/zinc/91/25/62/952912562.db2.gz GEVDIWWRNTUJRN-STQMWFEESA-N 2 2 381.444 0.607 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571249084 953300146 /nfs/dbraw/zinc/30/01/46/953300146.db2.gz CUMITWQMQJHVJV-BBRMVZONSA-N 2 2 384.488 0.935 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571249084 953300151 /nfs/dbraw/zinc/30/01/51/953300151.db2.gz CUMITWQMQJHVJV-BBRMVZONSA-N 2 2 384.488 0.935 20 0 GCADLP CC[C@@H](C(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)[NH+](C)C ZINC001571251044 953314025 /nfs/dbraw/zinc/31/40/25/953314025.db2.gz VGTYWISBTHRBPN-YCPHGPKFSA-N 2 2 384.488 0.887 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)CC2)CC1 ZINC001598586195 993387030 /nfs/dbraw/zinc/38/70/30/993387030.db2.gz QHMBHLJAJOYVRC-UHFFFAOYSA-N 2 2 395.548 0.735 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707491 530241733 /nfs/dbraw/zinc/24/17/33/530241733.db2.gz BGNNBRUZVNLZPE-GUTXKFCHSA-N 2 2 393.285 0.946 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707491 530241735 /nfs/dbraw/zinc/24/17/35/530241735.db2.gz BGNNBRUZVNLZPE-GUTXKFCHSA-N 2 2 393.285 0.946 20 0 GCADLP CN(C)c1cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH+]cc1Br ZINC000584302770 530247919 /nfs/dbraw/zinc/24/79/19/530247919.db2.gz NNWSNKCWCQGSPR-GXSJLCMTSA-N 2 2 397.277 0.686 20 0 GCADLP CN(C)c1cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH+]cc1Br ZINC000584302772 530247945 /nfs/dbraw/zinc/24/79/45/530247945.db2.gz NNWSNKCWCQGSPR-MWLCHTKSSA-N 2 2 397.277 0.686 20 0 GCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000271658758 530274455 /nfs/dbraw/zinc/27/44/55/530274455.db2.gz CWKNNULXOKJNHK-AWEZNQCLSA-N 2 2 389.543 0.145 20 0 GCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@@H](C[NH3+])C1 ZINC000572600430 530276979 /nfs/dbraw/zinc/27/69/79/530276979.db2.gz UYTLDSGUMJJJDS-WFASDCNBSA-N 2 2 395.301 0.903 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@@H](C[NH3+])C1 ZINC000572600430 530276982 /nfs/dbraw/zinc/27/69/82/530276982.db2.gz UYTLDSGUMJJJDS-WFASDCNBSA-N 2 2 395.301 0.903 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000570827297 530326345 /nfs/dbraw/zinc/32/63/45/530326345.db2.gz PZWNTHIWJSEUEH-KRWDZBQOSA-N 2 2 375.535 0.225 20 0 GCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C[NH3+])C1 ZINC000580190125 530338022 /nfs/dbraw/zinc/33/80/22/530338022.db2.gz UCSZAFFMSZEMSS-STQMWFEESA-N 2 2 395.301 0.903 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C[NH3+])C1 ZINC000580190125 530338024 /nfs/dbraw/zinc/33/80/24/530338024.db2.gz UCSZAFFMSZEMSS-STQMWFEESA-N 2 2 395.301 0.903 20 0 GCADLP Cn1ncc(Br)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000278521693 530341604 /nfs/dbraw/zinc/34/16/04/530341604.db2.gz QILGYVPYRUXASF-LBPRGKRZSA-N 2 2 386.294 0.205 20 0 GCADLP O=C1C[C@@H]([NH2+]Cc2cncc(Br)c2)CN1CC[NH+]1CCOCC1 ZINC000183714708 530374608 /nfs/dbraw/zinc/37/46/08/530374608.db2.gz ONFDYFSYSBCIQY-OAHLLOKOSA-N 2 2 383.290 0.867 20 0 GCADLP C[NH+](C)CCCN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501497406 530387070 /nfs/dbraw/zinc/38/70/70/530387070.db2.gz UVEAROCNVGYHAX-LSDHHAIUSA-N 2 2 377.576 0.391 20 0 GCADLP C[NH+](C)CCCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501497406 530387071 /nfs/dbraw/zinc/38/70/71/530387071.db2.gz UVEAROCNVGYHAX-LSDHHAIUSA-N 2 2 377.576 0.391 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000181072382 530370308 /nfs/dbraw/zinc/37/03/08/530370308.db2.gz DMIKKXTVPKUUJU-UHFFFAOYSA-N 2 2 375.926 0.964 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000181072382 530370311 /nfs/dbraw/zinc/37/03/11/530370311.db2.gz DMIKKXTVPKUUJU-UHFFFAOYSA-N 2 2 375.926 0.964 20 0 GCADLP [NH3+]CCSCc1cn(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)nn1 ZINC000603215918 530488133 /nfs/dbraw/zinc/48/81/33/530488133.db2.gz MITLFUKOMFHJLA-UHFFFAOYSA-N 2 2 380.543 0.876 20 0 GCADLP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000638774270 530500853 /nfs/dbraw/zinc/50/08/53/530500853.db2.gz ZPEBTPSZOVCSEE-AWEZNQCLSA-N 2 2 376.544 0.708 20 0 GCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000563152664 530496395 /nfs/dbraw/zinc/49/63/95/530496395.db2.gz VAYVENLUNZZMOX-VHRBIJSZSA-N 2 2 386.905 0.985 20 0 GCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000563152664 530496397 /nfs/dbraw/zinc/49/63/97/530496397.db2.gz VAYVENLUNZZMOX-VHRBIJSZSA-N 2 2 386.905 0.985 20 0 GCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000563152665 530496405 /nfs/dbraw/zinc/49/64/05/530496405.db2.gz VAYVENLUNZZMOX-ZKYQVNSYSA-N 2 2 386.905 0.985 20 0 GCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000563152665 530496407 /nfs/dbraw/zinc/49/64/07/530496407.db2.gz VAYVENLUNZZMOX-ZKYQVNSYSA-N 2 2 386.905 0.985 20 0 GCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000563152662 530496485 /nfs/dbraw/zinc/49/64/85/530496485.db2.gz VAYVENLUNZZMOX-MPKXVKKWSA-N 2 2 386.905 0.985 20 0 GCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000563152662 530496487 /nfs/dbraw/zinc/49/64/87/530496487.db2.gz VAYVENLUNZZMOX-MPKXVKKWSA-N 2 2 386.905 0.985 20 0 GCADLP CN(CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(=O)c1ccc(Br)s1 ZINC000566618864 530532718 /nfs/dbraw/zinc/53/27/18/530532718.db2.gz LJYCSYDDJABNFJ-JTQLQIEISA-N 2 2 389.319 0.684 20 0 GCADLP CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(=O)c1ccc(Br)s1 ZINC000566618864 530532722 /nfs/dbraw/zinc/53/27/22/530532722.db2.gz LJYCSYDDJABNFJ-JTQLQIEISA-N 2 2 389.319 0.684 20 0 GCADLP C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000566968892 530536011 /nfs/dbraw/zinc/53/60/11/530536011.db2.gz LEDFBVCSNRCBGY-CYBMUJFWSA-N 2 2 379.885 0.802 20 0 GCADLP C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000566968892 530536015 /nfs/dbraw/zinc/53/60/15/530536015.db2.gz LEDFBVCSNRCBGY-CYBMUJFWSA-N 2 2 379.885 0.802 20 0 GCADLP Cc1cnc(NCC[NH+]2CCSCC2)nc1NCC[NH+]1CCSCC1 ZINC000444081392 530541952 /nfs/dbraw/zinc/54/19/52/530541952.db2.gz LDXMNVOVZVRCDR-UHFFFAOYSA-N 2 2 382.603 0.550 20 0 GCADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CCOC)CC1 ZINC000573016223 530574434 /nfs/dbraw/zinc/57/44/34/530574434.db2.gz KSOPZIRZRLXXIM-WBVHZDCISA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC)CC1 ZINC000573016223 530574436 /nfs/dbraw/zinc/57/44/36/530574436.db2.gz KSOPZIRZRLXXIM-WBVHZDCISA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000573016223 530574437 /nfs/dbraw/zinc/57/44/37/530574437.db2.gz KSOPZIRZRLXXIM-WBVHZDCISA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000573016223 530574439 /nfs/dbraw/zinc/57/44/39/530574439.db2.gz KSOPZIRZRLXXIM-WBVHZDCISA-N 2 2 379.567 0.308 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000629607620 530593916 /nfs/dbraw/zinc/59/39/16/530593916.db2.gz XAQAAMUAOQEQHG-IUODEOHRSA-N 2 2 386.290 0.600 20 0 GCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F)C1CC1 ZINC000451990470 530595633 /nfs/dbraw/zinc/59/56/33/530595633.db2.gz QJFUNUJLBCZRAE-ZDUSSCGKSA-N 2 2 375.466 0.239 20 0 GCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F)C1CC1 ZINC000451990470 530595636 /nfs/dbraw/zinc/59/56/36/530595636.db2.gz QJFUNUJLBCZRAE-ZDUSSCGKSA-N 2 2 375.466 0.239 20 0 GCADLP C[NH+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@H](O)C[N@H+](C)C1CC1 ZINC000451990470 530595638 /nfs/dbraw/zinc/59/56/38/530595638.db2.gz QJFUNUJLBCZRAE-ZDUSSCGKSA-N 2 2 375.466 0.239 20 0 GCADLP C[NH+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000451990470 530595640 /nfs/dbraw/zinc/59/56/40/530595640.db2.gz QJFUNUJLBCZRAE-ZDUSSCGKSA-N 2 2 375.466 0.239 20 0 GCADLP C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000577124739 530616583 /nfs/dbraw/zinc/61/65/83/530616583.db2.gz RAHKITXEXCNSKS-NSHDSACASA-N 2 2 387.487 0.439 20 0 GCADLP CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000577171730 530617333 /nfs/dbraw/zinc/61/73/33/530617333.db2.gz BARVPEWHELWZLE-INMHGKMJSA-N 2 2 377.551 0.250 20 0 GCADLP CCC[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000463861088 530660043 /nfs/dbraw/zinc/66/00/43/530660043.db2.gz ULFXPBYZXFGGAN-QGZVFWFLSA-N 2 2 377.551 0.471 20 0 GCADLP CCC[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000463861088 530660046 /nfs/dbraw/zinc/66/00/46/530660046.db2.gz ULFXPBYZXFGGAN-QGZVFWFLSA-N 2 2 377.551 0.471 20 0 GCADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000362853702 530707708 /nfs/dbraw/zinc/70/77/08/530707708.db2.gz VEOVRZUQBWEQNI-KRWDZBQOSA-N 2 2 376.567 0.043 20 0 GCADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000362853702 530707710 /nfs/dbraw/zinc/70/77/10/530707710.db2.gz VEOVRZUQBWEQNI-KRWDZBQOSA-N 2 2 376.567 0.043 20 0 GCADLP CC[NH+](CC)CCN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503460756 530709650 /nfs/dbraw/zinc/70/96/50/530709650.db2.gz KNEQLKSLCJAPKX-JKSUJKDBSA-N 2 2 391.603 0.781 20 0 GCADLP CC[NH+](CC)CCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503460756 530709651 /nfs/dbraw/zinc/70/96/51/530709651.db2.gz KNEQLKSLCJAPKX-JKSUJKDBSA-N 2 2 391.603 0.781 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCn2cc(Br)ccc2=O)C[C@H](C)O1 ZINC000581880231 530763894 /nfs/dbraw/zinc/76/38/94/530763894.db2.gz YBOSZUJCMAFVNC-GUTXKFCHSA-N 2 2 388.306 0.671 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCn2cc(Br)ccc2=O)C[C@H](C)O1 ZINC000581880231 530763899 /nfs/dbraw/zinc/76/38/99/530763899.db2.gz YBOSZUJCMAFVNC-GUTXKFCHSA-N 2 2 388.306 0.671 20 0 GCADLP CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482038428 530782613 /nfs/dbraw/zinc/78/26/13/530782613.db2.gz YEDGFXMIDPBUBY-OAHLLOKOSA-N 2 2 394.607 0.190 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)NC[C@@H]1CCCCO1 ZINC000655727499 530801620 /nfs/dbraw/zinc/80/16/20/530801620.db2.gz OISDDGCUASRWPG-IRXDYDNUSA-N 2 2 375.535 0.318 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@@H](C[NH3+])C1 ZINC000582903925 530856098 /nfs/dbraw/zinc/85/60/98/530856098.db2.gz RMVRGFRGOQDQGJ-STQMWFEESA-N 2 2 395.301 0.903 20 0 GCADLP CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657092960 530874990 /nfs/dbraw/zinc/87/49/90/530874990.db2.gz UWJQDTLHGAYRSD-QGZVFWFLSA-N 2 2 376.567 0.580 20 0 GCADLP CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657092960 530874995 /nfs/dbraw/zinc/87/49/95/530874995.db2.gz UWJQDTLHGAYRSD-QGZVFWFLSA-N 2 2 376.567 0.580 20 0 GCADLP C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000656382810 530842847 /nfs/dbraw/zinc/84/28/47/530842847.db2.gz SBBQXWZQQHVWMN-QWHCGFSZSA-N 2 2 393.535 0.334 20 0 GCADLP CC(C)[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000656386141 530843208 /nfs/dbraw/zinc/84/32/08/530843208.db2.gz UHXBUKBYXZGQGB-UHFFFAOYSA-N 2 2 393.535 0.287 20 0 GCADLP Nc1nc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)nc(N)[nH+]1 ZINC000624286184 530923297 /nfs/dbraw/zinc/92/32/97/530923297.db2.gz MOFSRSKTKRFUAY-UHFFFAOYSA-N 2 2 378.278 0.958 20 0 GCADLP Nc1nc(N)[nH+]c(NC2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000624286184 530923302 /nfs/dbraw/zinc/92/33/02/530923302.db2.gz MOFSRSKTKRFUAY-UHFFFAOYSA-N 2 2 378.278 0.958 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420156836 530965744 /nfs/dbraw/zinc/96/57/44/530965744.db2.gz ALUVLDZPCWQSGE-SNVBAGLBSA-N 2 2 382.262 0.827 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419945594 530964268 /nfs/dbraw/zinc/96/42/68/530964268.db2.gz KHSOCEOLJBVAIZ-JTQLQIEISA-N 2 2 382.262 0.685 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)[nH+]c12 ZINC000419036622 530952997 /nfs/dbraw/zinc/95/29/97/530952997.db2.gz BSSUHONRSWQNFT-ZDUSSCGKSA-N 2 2 394.273 0.875 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NCC(C)(C)[NH3+])[nH+]c12 ZINC000419043293 530953179 /nfs/dbraw/zinc/95/31/79/530953179.db2.gz NLMXBKPWAMORQD-UHFFFAOYSA-N 2 2 382.262 0.875 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419042228 530953409 /nfs/dbraw/zinc/95/34/09/530953409.db2.gz LISRSHPOCMMUJQ-JTQLQIEISA-N 2 2 396.289 0.993 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)NC[C@H](C)C[NH3+])[nH+]c12 ZINC000419043065 530953459 /nfs/dbraw/zinc/95/34/59/530953459.db2.gz MZCBIPAMZATXLL-SNVBAGLBSA-N 2 2 396.289 0.775 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N[C@H](C)C[NH3+])[nH+]c12 ZINC000419046317 530953490 /nfs/dbraw/zinc/95/34/90/530953490.db2.gz VKHVAUDRXHLPDI-SNVBAGLBSA-N 2 2 382.262 0.527 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)[nH+]c12 ZINC000419047017 530953675 /nfs/dbraw/zinc/95/36/75/530953675.db2.gz XFJWTXBQWYUKMP-LBPRGKRZSA-N 2 2 394.273 0.890 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420188247 530966156 /nfs/dbraw/zinc/96/61/56/530966156.db2.gz SOICWOMORKCJBQ-UHFFFAOYSA-N 2 2 398.261 0.065 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000659682029 530996380 /nfs/dbraw/zinc/99/63/80/530996380.db2.gz FLXRPGZZGAWDFL-JTQLQIEISA-N 2 2 382.262 0.746 20 0 GCADLP C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000162588549 531005955 /nfs/dbraw/zinc/00/59/55/531005955.db2.gz FFLKJTKWTOHVMN-AWEZNQCLSA-N 2 2 383.290 0.670 20 0 GCADLP C[N@H+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000162588549 531005959 /nfs/dbraw/zinc/00/59/59/531005959.db2.gz FFLKJTKWTOHVMN-AWEZNQCLSA-N 2 2 383.290 0.670 20 0 GCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662483199 531022000 /nfs/dbraw/zinc/02/20/00/531022000.db2.gz SKQLRQPJNBXAMW-ZDUSSCGKSA-N 2 2 383.290 0.857 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)CC1 ZINC000546622983 531092990 /nfs/dbraw/zinc/09/29/90/531092990.db2.gz XSFKLOWJTACRRA-GOEBONIOSA-N 2 2 375.535 0.712 20 0 GCADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430622516 531113508 /nfs/dbraw/zinc/11/35/08/531113508.db2.gz FNDNQQIVNWBANC-OCCSQVGLSA-N 2 2 383.290 0.762 20 0 GCADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430622516 531113510 /nfs/dbraw/zinc/11/35/10/531113510.db2.gz FNDNQQIVNWBANC-OCCSQVGLSA-N 2 2 383.290 0.762 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736853597 598973227 /nfs/dbraw/zinc/97/32/27/598973227.db2.gz YKOCQOUVFSVPDU-INIZCTEOSA-N 2 2 384.488 0.834 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736853597 598973229 /nfs/dbraw/zinc/97/32/29/598973229.db2.gz YKOCQOUVFSVPDU-INIZCTEOSA-N 2 2 384.488 0.834 20 0 GCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736144608 598349279 /nfs/dbraw/zinc/34/92/79/598349279.db2.gz PLBJYSAAJQSYEA-RHSMWYFYSA-N 2 2 390.488 0.383 20 0 GCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736144608 598349280 /nfs/dbraw/zinc/34/92/80/598349280.db2.gz PLBJYSAAJQSYEA-RHSMWYFYSA-N 2 2 390.488 0.383 20 0 GCADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737874889 598524837 /nfs/dbraw/zinc/52/48/37/598524837.db2.gz DRFLBSOZVXPGJP-UHFFFAOYSA-N 2 2 385.472 0.849 20 0 GCADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736962770 598531884 /nfs/dbraw/zinc/53/18/84/598531884.db2.gz REQGVKBTASGBOW-ZDUSSCGKSA-N 2 2 389.508 0.584 20 0 GCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736535870 598766587 /nfs/dbraw/zinc/76/65/87/598766587.db2.gz ZUQCVNWKAQIAPN-UHFFFAOYSA-N 2 2 387.488 0.732 20 0 GCADLP C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736171523 598768533 /nfs/dbraw/zinc/76/85/33/598768533.db2.gz WVZIVBIBYDISBN-HOCLYGCPSA-N 2 2 399.499 0.919 20 0 GCADLP C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736171523 598768534 /nfs/dbraw/zinc/76/85/34/598768534.db2.gz WVZIVBIBYDISBN-HOCLYGCPSA-N 2 2 399.499 0.919 20 0 GCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570290 599318600 /nfs/dbraw/zinc/31/86/00/599318600.db2.gz XRSKDNUGTGGHNL-GOSISDBHSA-N 2 2 399.499 0.622 20 0 GCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570290 599318603 /nfs/dbraw/zinc/31/86/03/599318603.db2.gz XRSKDNUGTGGHNL-GOSISDBHSA-N 2 2 399.499 0.622 20 0 GCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570290 599318606 /nfs/dbraw/zinc/31/86/06/599318606.db2.gz XRSKDNUGTGGHNL-GOSISDBHSA-N 2 2 399.499 0.622 20 0 GCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570290 599318609 /nfs/dbraw/zinc/31/86/09/599318609.db2.gz XRSKDNUGTGGHNL-GOSISDBHSA-N 2 2 399.499 0.622 20 0 GCADLP CSc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000821970832 606284338 /nfs/dbraw/zinc/28/43/38/606284338.db2.gz SZFMOCFMHCCLCL-UHFFFAOYSA-N 2 2 394.505 0.255 20 0 GCADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)nc[nH+]1 ZINC000821637710 606859076 /nfs/dbraw/zinc/85/90/76/606859076.db2.gz QMGYWBMWSCBQTD-CVEARBPZSA-N 2 2 395.471 0.990 20 0 GCADLP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824984937 608170950 /nfs/dbraw/zinc/17/09/50/608170950.db2.gz PPAYARKBTKHPTE-LZQZEXGQSA-N 2 2 385.516 0.858 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824984937 608170952 /nfs/dbraw/zinc/17/09/52/608170952.db2.gz PPAYARKBTKHPTE-LZQZEXGQSA-N 2 2 385.516 0.858 20 0 GCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826505785 608383410 /nfs/dbraw/zinc/38/34/10/608383410.db2.gz FKFCDXONQAKVMY-UHFFFAOYSA-N 2 2 376.436 0.665 20 0 GCADLP CN(C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000826022599 609228384 /nfs/dbraw/zinc/22/83/84/609228384.db2.gz OVGOPYRPRGCNEB-QZTJIDSGSA-N 2 2 399.499 0.527 20 0 GCADLP CN(C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000826022599 609228385 /nfs/dbraw/zinc/22/83/85/609228385.db2.gz OVGOPYRPRGCNEB-QZTJIDSGSA-N 2 2 399.499 0.527 20 0 GCADLP COc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1-c1nn[nH]n1 ZINC000826194572 609491236 /nfs/dbraw/zinc/49/12/36/609491236.db2.gz PSRVNYYMOYTGTN-UHFFFAOYSA-N 2 2 388.472 0.534 20 0 GCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000891412221 638495525 /nfs/dbraw/zinc/49/55/25/638495525.db2.gz VVNCWWUACJXBTK-ZFWWWQNUSA-N 2 2 378.489 0.738 20 0 GCADLP Cn1ncc(I)c1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000894238095 638684897 /nfs/dbraw/zinc/68/48/97/638684897.db2.gz PFIPVIYIJPUCPJ-UHFFFAOYSA-N 2 2 391.257 0.278 20 0 GCADLP C[C@@H](C[NH2+]Cc1cn(C)nc1I)N1CC[NH+](C)CC1 ZINC000894241966 638684957 /nfs/dbraw/zinc/68/49/57/638684957.db2.gz FPNQCSYOSLPEER-NSHDSACASA-N 2 2 377.274 0.750 20 0 GCADLP CC(C)C[C@H]([NH2+]Cc1nc(Br)nn1C)C(=O)NCC[NH+](C)C ZINC000894367880 638696569 /nfs/dbraw/zinc/69/65/69/638696569.db2.gz NDRUEARYJXVGFC-NSHDSACASA-N 2 2 375.315 0.760 20 0 GCADLP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000923490520 640139189 /nfs/dbraw/zinc/13/91/89/640139189.db2.gz VBYLBOISKUQVOV-CABCVRRESA-N 2 2 385.555 0.935 20 0 GCADLP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000923490520 640139192 /nfs/dbraw/zinc/13/91/92/640139192.db2.gz VBYLBOISKUQVOV-CABCVRRESA-N 2 2 385.555 0.935 20 0 GCADLP O=C(NCC[NH+]1CCC1)c1cc(Br)c(C(=O)NCC[NH+]2CCC2)o1 ZINC000792276234 641448715 /nfs/dbraw/zinc/44/87/15/641448715.db2.gz ZSENUXVHKYXHOT-UHFFFAOYSA-N 2 2 399.289 0.913 20 0 GCADLP [NH3+][C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(Br)cc1 ZINC000884252826 641780094 /nfs/dbraw/zinc/78/00/94/641780094.db2.gz TZUVLZLYCAFGAL-HOCLYGCPSA-N 2 2 395.301 0.872 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884427378 641783836 /nfs/dbraw/zinc/78/38/36/641783836.db2.gz UEUUWCORTRQQCC-HUUCEWRRSA-N 2 2 386.290 0.600 20 0 GCADLP O=S(=O)(N1CCC(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1)C(F)(F)F ZINC000817890651 641891589 /nfs/dbraw/zinc/89/15/89/641891589.db2.gz WABZAJZUIXMBBH-ZIAGYGMSSA-N 2 2 385.452 0.905 20 0 GCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817964648 641892890 /nfs/dbraw/zinc/89/28/90/641892890.db2.gz HBEQRMPZNPNENQ-GFCCVEGCSA-N 2 2 375.516 0.944 20 0 GCADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959859 641892968 /nfs/dbraw/zinc/89/29/68/641892968.db2.gz JSBKQSPCFIOUEZ-XHDPSFHLSA-N 2 2 375.516 0.800 20 0 GCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC(=O)N(C)CC1 ZINC000661809392 1192183878 /nfs/dbraw/zinc/18/38/78/1192183878.db2.gz UWGZIAGLCZTCGR-QGZVFWFLSA-N 2 2 388.512 0.688 20 0 GCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661809392 1192183881 /nfs/dbraw/zinc/18/38/81/1192183881.db2.gz UWGZIAGLCZTCGR-QGZVFWFLSA-N 2 2 388.512 0.688 20 0 GCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCn3cc[nH+]c3)cc2)CC1 ZINC000048918300 1192206584 /nfs/dbraw/zinc/20/65/84/1192206584.db2.gz NOHPUEKNTAENST-UHFFFAOYSA-N 2 2 384.484 0.776 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc4n(c3=O)CCS4)CC2)CC1 ZINC000050800534 1192237552 /nfs/dbraw/zinc/23/75/52/1192237552.db2.gz BBZYZHQCBKZGOT-UHFFFAOYSA-N 2 2 377.514 0.637 20 0 GCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336473 1192284697 /nfs/dbraw/zinc/28/46/97/1192284697.db2.gz XVRQQMAIQMOXMD-GJZGRUSLSA-N 2 2 384.488 0.816 20 0 GCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336473 1192284700 /nfs/dbraw/zinc/28/47/00/1192284700.db2.gz XVRQQMAIQMOXMD-GJZGRUSLSA-N 2 2 384.488 0.816 20 0 GCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662351555 1192286759 /nfs/dbraw/zinc/28/67/59/1192286759.db2.gz MFAVKWIUHINMJQ-UHFFFAOYSA-N 2 2 384.484 0.965 20 0 GCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC[NH+](C)C ZINC001719830278 1192293955 /nfs/dbraw/zinc/29/39/55/1192293955.db2.gz JVTHOLLVDPBYBG-ORQFMDKSSA-N 2 2 377.489 0.415 20 0 GCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC[NH+](C)C ZINC001719830278 1192293958 /nfs/dbraw/zinc/29/39/58/1192293958.db2.gz JVTHOLLVDPBYBG-ORQFMDKSSA-N 2 2 377.489 0.415 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000626253775 1192294116 /nfs/dbraw/zinc/29/41/16/1192294116.db2.gz ZGWNHHYFRKOWSN-HNNXBMFYSA-N 2 2 375.473 0.262 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000626253775 1192294119 /nfs/dbraw/zinc/29/41/19/1192294119.db2.gz ZGWNHHYFRKOWSN-HNNXBMFYSA-N 2 2 375.473 0.262 20 0 GCADLP O=C(c1cccc2c1C[NH2+]C2)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000662468338 1192301179 /nfs/dbraw/zinc/30/11/79/1192301179.db2.gz SHSLCDISARENEV-UHFFFAOYSA-N 2 2 394.479 0.879 20 0 GCADLP O=C(c1cccc2c1C[NH2+]C2)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000662468338 1192301183 /nfs/dbraw/zinc/30/11/83/1192301183.db2.gz SHSLCDISARENEV-UHFFFAOYSA-N 2 2 394.479 0.879 20 0 GCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000636769460 1192302902 /nfs/dbraw/zinc/30/29/02/1192302902.db2.gz KBHXAMHRTYYQOU-RTBURBONSA-N 2 2 376.501 0.296 20 0 GCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000636769460 1192302906 /nfs/dbraw/zinc/30/29/06/1192302906.db2.gz KBHXAMHRTYYQOU-RTBURBONSA-N 2 2 376.501 0.296 20 0 GCADLP O=C(N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1)C1(O)C[NH2+]C1 ZINC000662671615 1192325271 /nfs/dbraw/zinc/32/52/71/1192325271.db2.gz VWXUOEBEFPIOGS-UHFFFAOYSA-N 2 2 377.470 0.209 20 0 GCADLP COCc1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(N)n1 ZINC000473205659 1192368816 /nfs/dbraw/zinc/36/88/16/1192368816.db2.gz KGYOLIVUONTBSZ-UHFFFAOYSA-N 2 2 376.505 0.885 20 0 GCADLP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C[C@@H]1O ZINC000663544872 1192381893 /nfs/dbraw/zinc/38/18/93/1192381893.db2.gz CRXJCRPSRCSAKI-ROUUACIJSA-N 2 2 389.500 0.406 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000637096808 1192388454 /nfs/dbraw/zinc/38/84/54/1192388454.db2.gz ZRVDBELTAZZFMZ-FQEVSTJZSA-N 2 2 380.533 0.776 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000637096808 1192388456 /nfs/dbraw/zinc/38/84/56/1192388456.db2.gz ZRVDBELTAZZFMZ-FQEVSTJZSA-N 2 2 380.533 0.776 20 0 GCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000663558544 1192388655 /nfs/dbraw/zinc/38/86/55/1192388655.db2.gz SGYHPYVMMBAHCI-QZTJIDSGSA-N 2 2 393.576 0.955 20 0 GCADLP Cc1ccn(C[C@@](C)(O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(=O)c1 ZINC000279084426 1192460013 /nfs/dbraw/zinc/46/00/13/1192460013.db2.gz BBUYHQDEXSNGTO-HXUWFJFHSA-N 2 2 378.517 0.392 20 0 GCADLP Cc1ccn(C[C@@](C)(O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(=O)c1 ZINC000279084426 1192460016 /nfs/dbraw/zinc/46/00/16/1192460016.db2.gz BBUYHQDEXSNGTO-HXUWFJFHSA-N 2 2 378.517 0.392 20 0 GCADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000279179513 1192478886 /nfs/dbraw/zinc/47/88/86/1192478886.db2.gz LUOYNYIIHYJPQS-KRWDZBQOSA-N 2 2 386.500 0.589 20 0 GCADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000279179513 1192478889 /nfs/dbraw/zinc/47/88/89/1192478889.db2.gz LUOYNYIIHYJPQS-KRWDZBQOSA-N 2 2 386.500 0.589 20 0 GCADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000279179513 1192478893 /nfs/dbraw/zinc/47/88/93/1192478893.db2.gz LUOYNYIIHYJPQS-KRWDZBQOSA-N 2 2 386.500 0.589 20 0 GCADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000279179513 1192478897 /nfs/dbraw/zinc/47/88/97/1192478897.db2.gz LUOYNYIIHYJPQS-KRWDZBQOSA-N 2 2 386.500 0.589 20 0 GCADLP CN(C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637375546 1192518635 /nfs/dbraw/zinc/51/86/35/1192518635.db2.gz MSMQNINXGTZTLH-MSOLQXFVSA-N 3 2 394.564 0.136 20 0 GCADLP CN(C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637375546 1192518639 /nfs/dbraw/zinc/51/86/39/1192518639.db2.gz MSMQNINXGTZTLH-MSOLQXFVSA-N 3 2 394.564 0.136 20 0 GCADLP CN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000637375546 1192518643 /nfs/dbraw/zinc/51/86/43/1192518643.db2.gz MSMQNINXGTZTLH-MSOLQXFVSA-N 3 2 394.564 0.136 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418605299 1192546668 /nfs/dbraw/zinc/54/66/68/1192546668.db2.gz SUGGMMIJGNQRHG-OAHLLOKOSA-N 2 2 377.493 0.143 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418605299 1192546672 /nfs/dbraw/zinc/54/66/72/1192546672.db2.gz SUGGMMIJGNQRHG-OAHLLOKOSA-N 2 2 377.493 0.143 20 0 GCADLP Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613997609 1192602840 /nfs/dbraw/zinc/60/28/40/1192602840.db2.gz YVNUKZUCBDBEDR-KDURUIRLSA-N 2 2 399.539 0.537 20 0 GCADLP Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613997609 1192602843 /nfs/dbraw/zinc/60/28/43/1192602843.db2.gz YVNUKZUCBDBEDR-KDURUIRLSA-N 2 2 399.539 0.537 20 0 GCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000418615030 1192617632 /nfs/dbraw/zinc/61/76/32/1192617632.db2.gz LHPQNOGOTBLUFT-ZIAGYGMSSA-N 2 2 381.443 0.233 20 0 GCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000418615030 1192617637 /nfs/dbraw/zinc/61/76/37/1192617637.db2.gz LHPQNOGOTBLUFT-ZIAGYGMSSA-N 2 2 381.443 0.233 20 0 GCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824915 1192656364 /nfs/dbraw/zinc/65/63/64/1192656364.db2.gz DOSPHJJEYKWVEH-RBUKOAKNSA-N 2 2 390.528 0.835 20 0 GCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824915 1192656365 /nfs/dbraw/zinc/65/63/65/1192656365.db2.gz DOSPHJJEYKWVEH-RBUKOAKNSA-N 2 2 390.528 0.835 20 0 GCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]1CCCC1 ZINC000418831403 1192659637 /nfs/dbraw/zinc/65/96/37/1192659637.db2.gz GGINULBNZSNXPM-CQSZACIVSA-N 2 2 384.427 0.659 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833015 1192660099 /nfs/dbraw/zinc/66/00/99/1192660099.db2.gz MUFKCDXTTMPNQJ-ZWKOTPCHSA-N 2 2 376.501 0.637 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833015 1192660101 /nfs/dbraw/zinc/66/01/01/1192660101.db2.gz MUFKCDXTTMPNQJ-ZWKOTPCHSA-N 2 2 376.501 0.637 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000418840479 1192663043 /nfs/dbraw/zinc/66/30/43/1192663043.db2.gz XRRWYBZAGVKKRX-NEWSRXKRSA-N 2 2 388.512 0.447 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000418840479 1192663044 /nfs/dbraw/zinc/66/30/44/1192663044.db2.gz XRRWYBZAGVKKRX-NEWSRXKRSA-N 2 2 388.512 0.447 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418842132 1192663333 /nfs/dbraw/zinc/66/33/33/1192663333.db2.gz ZSUHNFLDFNIRLV-UHOSZYNNSA-N 2 2 388.512 0.732 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418842132 1192663336 /nfs/dbraw/zinc/66/33/36/1192663336.db2.gz ZSUHNFLDFNIRLV-UHOSZYNNSA-N 2 2 388.512 0.732 20 0 GCADLP Cc1cc(C)c(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c[nH+]1 ZINC000418890751 1192681005 /nfs/dbraw/zinc/68/10/05/1192681005.db2.gz SGASBADXLOMSNI-INIZCTEOSA-N 2 2 375.473 0.161 20 0 GCADLP CCCN(C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000418907071 1192685882 /nfs/dbraw/zinc/68/58/82/1192685882.db2.gz GCILCWXUTPRBIH-LJQANCHMSA-N 2 2 388.512 0.736 20 0 GCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418917229 1192688421 /nfs/dbraw/zinc/68/84/21/1192688421.db2.gz SVUNQHMBIXAMGL-RTBURBONSA-N 2 2 386.496 0.203 20 0 GCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC[N@@H+]1CCOC ZINC000410568705 1192718654 /nfs/dbraw/zinc/71/86/54/1192718654.db2.gz CFYZWBPBABZKBD-SFHVURJKSA-N 2 2 380.533 0.642 20 0 GCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC[N@H+]1CCOC ZINC000410568705 1192718658 /nfs/dbraw/zinc/71/86/58/1192718658.db2.gz CFYZWBPBABZKBD-SFHVURJKSA-N 2 2 380.533 0.642 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419019827 1192722579 /nfs/dbraw/zinc/72/25/79/1192722579.db2.gz DYHOOQLSTVXKIR-WFASDCNBSA-N 2 2 389.431 0.857 20 0 GCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419062817 1192758611 /nfs/dbraw/zinc/75/86/11/1192758611.db2.gz HDXQPTWAWOHTMK-UXLLHSPISA-N 2 2 376.501 0.807 20 0 GCADLP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000500782205 1192781806 /nfs/dbraw/zinc/78/18/06/1192781806.db2.gz QFSYHZYEDJXIIH-UHFFFAOYSA-N 3 2 379.549 0.262 20 0 GCADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)o1 ZINC000728925821 1192783557 /nfs/dbraw/zinc/78/35/57/1192783557.db2.gz MRMTZOUWPZBJTI-UHFFFAOYSA-N 2 2 386.518 0.420 20 0 GCADLP C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410640322 1192783597 /nfs/dbraw/zinc/78/35/97/1192783597.db2.gz ULJSMIDRNIYMMO-FUHWJXTLSA-N 2 2 382.549 0.623 20 0 GCADLP C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410640322 1192783600 /nfs/dbraw/zinc/78/36/00/1192783600.db2.gz ULJSMIDRNIYMMO-FUHWJXTLSA-N 2 2 382.549 0.623 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000419120559 1192793480 /nfs/dbraw/zinc/79/34/80/1192793480.db2.gz QQBFYTGEMJLLEV-GOSISDBHSA-N 2 2 376.501 0.447 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000419120608 1192794140 /nfs/dbraw/zinc/79/41/40/1192794140.db2.gz CNFBBDBXKIXZAM-ZWKOTPCHSA-N 2 2 375.517 0.191 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419123386 1192795526 /nfs/dbraw/zinc/79/55/26/1192795526.db2.gz VTNCQQBXVJRFSK-OTWHNJEPSA-N 2 2 394.560 0.840 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000419124577 1192795929 /nfs/dbraw/zinc/79/59/29/1192795929.db2.gz XUTOHQQTUNZKPN-MSOLQXFVSA-N 2 2 382.549 0.873 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[NH+]1CCOCC1 ZINC000419112490 1192799034 /nfs/dbraw/zinc/79/90/34/1192799034.db2.gz FXBQULUSRBXRAB-GOSISDBHSA-N 2 2 382.549 0.888 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000419117276 1192801813 /nfs/dbraw/zinc/80/18/13/1192801813.db2.gz MCFAMEYOKHTIMK-ROUUACIJSA-N 2 2 380.533 0.450 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000419119412 1192802794 /nfs/dbraw/zinc/80/27/94/1192802794.db2.gz PAYYKCKCBZMCFH-SJORKVTESA-N 2 2 382.549 0.744 20 0 GCADLP CCn1cc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1 ZINC000894016665 1192893066 /nfs/dbraw/zinc/89/30/66/1192893066.db2.gz CWPVOLBTOXRELY-OAHLLOKOSA-N 2 2 386.504 0.234 20 0 GCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000410774825 1192900470 /nfs/dbraw/zinc/90/04/70/1192900470.db2.gz JASMIPANEFVIIM-ZWKOTPCHSA-N 2 2 382.549 0.743 20 0 GCADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000579692198 1184090102 /nfs/dbraw/zinc/09/01/02/1184090102.db2.gz NMHSAXPJVSYFGE-ZWKOTPCHSA-N 2 2 392.544 0.738 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)c1 ZINC000579690810 1184091342 /nfs/dbraw/zinc/09/13/42/1184091342.db2.gz BOQPIUFGOGYJIX-FUHWJXTLSA-N 2 2 375.517 0.987 20 0 GCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000579715750 1184104186 /nfs/dbraw/zinc/10/41/86/1184104186.db2.gz DCRKLJXVCRSFQN-KRWDZBQOSA-N 3 2 390.528 0.309 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1)c1ccccc1 ZINC000274584016 1184110257 /nfs/dbraw/zinc/11/02/57/1184110257.db2.gz IDVGQAUYDPLIJN-QGZVFWFLSA-N 2 2 382.530 0.406 20 0 GCADLP Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773628 1184132244 /nfs/dbraw/zinc/13/22/44/1184132244.db2.gz FWSLNFRJGRDBTD-HNNXBMFYSA-N 2 2 395.529 0.278 20 0 GCADLP Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773628 1184132248 /nfs/dbraw/zinc/13/22/48/1184132248.db2.gz FWSLNFRJGRDBTD-HNNXBMFYSA-N 2 2 395.529 0.278 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000643544373 1184155480 /nfs/dbraw/zinc/15/54/80/1184155480.db2.gz AEDQNRRTJHUZIA-IAGOWNOFSA-N 2 2 378.517 0.158 20 0 GCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000471156994 1184290847 /nfs/dbraw/zinc/29/08/47/1184290847.db2.gz NOSXACBHLHLVDV-UHFFFAOYSA-N 2 2 392.485 0.218 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000655352560 1184386799 /nfs/dbraw/zinc/38/67/99/1184386799.db2.gz MVKZIVGAQHEEMX-RCCFBDPRSA-N 2 2 378.517 0.300 20 0 GCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000655352560 1184386805 /nfs/dbraw/zinc/38/68/05/1184386805.db2.gz MVKZIVGAQHEEMX-RCCFBDPRSA-N 2 2 378.517 0.300 20 0 GCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430263366 1184407114 /nfs/dbraw/zinc/40/71/14/1184407114.db2.gz VHAAJKVJOPIXQT-MSOLQXFVSA-N 2 2 398.511 0.786 20 0 GCADLP CCOC(=O)c1ccc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000275213736 1184554765 /nfs/dbraw/zinc/55/47/65/1184554765.db2.gz IHEUMVSUFRHSLF-UHFFFAOYSA-N 2 2 389.500 0.544 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c2)CC1 ZINC000275456538 1184675056 /nfs/dbraw/zinc/67/50/56/1184675056.db2.gz MHMCJNRLGRFWRH-HNNXBMFYSA-N 2 2 389.500 0.356 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237816270 1184733922 /nfs/dbraw/zinc/73/39/22/1184733922.db2.gz AWBZTPBUCWRMAK-QGZVFWFLSA-N 2 2 377.452 0.899 20 0 GCADLP CN1CCC2(CCN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)C1=O ZINC000683553457 1184763837 /nfs/dbraw/zinc/76/38/37/1184763837.db2.gz OBPLAHUKWWHJQS-INIZCTEOSA-N 2 2 377.533 0.809 20 0 GCADLP CN1CCC2(CCN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)C1=O ZINC000683553457 1184763842 /nfs/dbraw/zinc/76/38/42/1184763842.db2.gz OBPLAHUKWWHJQS-INIZCTEOSA-N 2 2 377.533 0.809 20 0 GCADLP Cn1c2nnc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)n2c2ccccc2c1=O ZINC000579960519 1184832808 /nfs/dbraw/zinc/83/28/08/1184832808.db2.gz XYHUJQFGXIQNFP-QAPCUYQASA-N 2 2 382.468 0.909 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275637887 1184846545 /nfs/dbraw/zinc/84/65/45/1184846545.db2.gz MNZRMLQNYRYKOU-QZTJIDSGSA-N 2 2 389.500 0.442 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275637887 1184846552 /nfs/dbraw/zinc/84/65/52/1184846552.db2.gz MNZRMLQNYRYKOU-QZTJIDSGSA-N 2 2 389.500 0.442 20 0 GCADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1(O)CCOCC1 ZINC000275640058 1184849656 /nfs/dbraw/zinc/84/96/56/1184849656.db2.gz WGRMDQRCCJNNDG-UHFFFAOYSA-N 2 2 377.485 0.931 20 0 GCADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1(O)CCOCC1 ZINC000275640058 1184849661 /nfs/dbraw/zinc/84/96/61/1184849661.db2.gz WGRMDQRCCJNNDG-UHFFFAOYSA-N 2 2 377.485 0.931 20 0 GCADLP CN(CCC[NH3+])C(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000579974054 1184867300 /nfs/dbraw/zinc/86/73/00/1184867300.db2.gz VGDQBHDOSLQQOZ-UHFFFAOYSA-N 2 2 381.908 0.385 20 0 GCADLP C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000579990082 1184893575 /nfs/dbraw/zinc/89/35/75/1184893575.db2.gz LKTLLINABLEFBD-VQIMIIECSA-N 2 2 394.560 0.813 20 0 GCADLP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000275666513 1184902194 /nfs/dbraw/zinc/90/21/94/1184902194.db2.gz OMZDQNDJYIKJKG-IBGZPJMESA-N 2 2 376.501 0.909 20 0 GCADLP O=C(NCC[N@H+]1CCCOCC1)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000275666513 1184902197 /nfs/dbraw/zinc/90/21/97/1184902197.db2.gz OMZDQNDJYIKJKG-IBGZPJMESA-N 2 2 376.501 0.909 20 0 GCADLP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000275666513 1184902199 /nfs/dbraw/zinc/90/21/99/1184902199.db2.gz OMZDQNDJYIKJKG-IBGZPJMESA-N 2 2 376.501 0.909 20 0 GCADLP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000275666513 1184902203 /nfs/dbraw/zinc/90/22/03/1184902203.db2.gz OMZDQNDJYIKJKG-IBGZPJMESA-N 2 2 376.501 0.909 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000275670910 1184904418 /nfs/dbraw/zinc/90/44/18/1184904418.db2.gz SHKAMHYHBIIGRD-SFHVURJKSA-N 2 2 390.532 0.614 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000275670910 1184904420 /nfs/dbraw/zinc/90/44/20/1184904420.db2.gz SHKAMHYHBIIGRD-SFHVURJKSA-N 2 2 390.532 0.614 20 0 GCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000065441243 1184968532 /nfs/dbraw/zinc/96/85/32/1184968532.db2.gz YRHAKCMPVISFIQ-QGZVFWFLSA-N 2 2 375.521 0.628 20 0 GCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000065441243 1184968537 /nfs/dbraw/zinc/96/85/37/1184968537.db2.gz YRHAKCMPVISFIQ-QGZVFWFLSA-N 2 2 375.521 0.628 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000275745214 1185002005 /nfs/dbraw/zinc/00/20/05/1185002005.db2.gz XHNHLTYSLGJSLR-UHFFFAOYSA-N 2 2 386.500 0.996 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000275745214 1185002012 /nfs/dbraw/zinc/00/20/12/1185002012.db2.gz XHNHLTYSLGJSLR-UHFFFAOYSA-N 2 2 386.500 0.996 20 0 GCADLP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000275786263 1185052748 /nfs/dbraw/zinc/05/27/48/1185052748.db2.gz FXVVBDBMVQHMPF-GOSISDBHSA-N 2 2 388.512 0.910 20 0 GCADLP COCC[N@H+](C)C[C@@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151966 1185118430 /nfs/dbraw/zinc/11/84/30/1185118430.db2.gz WFPXQOZYCVKJEX-MSOLQXFVSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[N@@H+](C)C[C@@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151966 1185118432 /nfs/dbraw/zinc/11/84/32/1185118432.db2.gz WFPXQOZYCVKJEX-MSOLQXFVSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[NH+](C)C[C@@H](O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656151966 1185118437 /nfs/dbraw/zinc/11/84/37/1185118437.db2.gz WFPXQOZYCVKJEX-MSOLQXFVSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[NH+](C)C[C@@H](O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656151966 1185118441 /nfs/dbraw/zinc/11/84/41/1185118441.db2.gz WFPXQOZYCVKJEX-MSOLQXFVSA-N 2 2 390.488 0.186 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC001021712710 1185338257 /nfs/dbraw/zinc/33/82/57/1185338257.db2.gz SUULDQLKRNGWQT-BVIKNXMNSA-N 2 2 382.468 0.788 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCO[C@@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000610461024 1185342375 /nfs/dbraw/zinc/34/23/75/1185342375.db2.gz URRKGTGDQGZPDW-NVXWUHKLSA-N 2 2 396.532 0.907 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCO[C@@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000610461024 1185342384 /nfs/dbraw/zinc/34/23/84/1185342384.db2.gz URRKGTGDQGZPDW-NVXWUHKLSA-N 2 2 396.532 0.907 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000580819744 1185377764 /nfs/dbraw/zinc/37/77/64/1185377764.db2.gz NAVXZWKREUMLFX-CALCHBBNSA-N 2 2 382.549 0.887 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000580819744 1185377769 /nfs/dbraw/zinc/37/77/69/1185377769.db2.gz NAVXZWKREUMLFX-CALCHBBNSA-N 2 2 382.549 0.887 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000580819744 1185377777 /nfs/dbraw/zinc/37/77/77/1185377777.db2.gz NAVXZWKREUMLFX-CALCHBBNSA-N 2 2 382.549 0.887 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000580819744 1185377786 /nfs/dbraw/zinc/37/77/86/1185377786.db2.gz NAVXZWKREUMLFX-CALCHBBNSA-N 2 2 382.549 0.887 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314637 1185396848 /nfs/dbraw/zinc/39/68/48/1185396848.db2.gz ADDRAEUOHGRXHH-BDXSIMOUSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314637 1185396852 /nfs/dbraw/zinc/39/68/52/1185396852.db2.gz ADDRAEUOHGRXHH-BDXSIMOUSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314637 1185396858 /nfs/dbraw/zinc/39/68/58/1185396858.db2.gz ADDRAEUOHGRXHH-BDXSIMOUSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314637 1185396863 /nfs/dbraw/zinc/39/68/63/1185396863.db2.gz ADDRAEUOHGRXHH-BDXSIMOUSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314638 1185397102 /nfs/dbraw/zinc/39/71/02/1185397102.db2.gz ADDRAEUOHGRXHH-FJIDUMEYSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314638 1185397112 /nfs/dbraw/zinc/39/71/12/1185397112.db2.gz ADDRAEUOHGRXHH-FJIDUMEYSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314638 1185397120 /nfs/dbraw/zinc/39/71/20/1185397120.db2.gz ADDRAEUOHGRXHH-FJIDUMEYSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314638 1185397126 /nfs/dbraw/zinc/39/71/26/1185397126.db2.gz ADDRAEUOHGRXHH-FJIDUMEYSA-N 2 2 382.549 0.981 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356506 1185457010 /nfs/dbraw/zinc/45/70/10/1185457010.db2.gz FDOLOTPJNYJNLY-SJORKVTESA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356506 1185457017 /nfs/dbraw/zinc/45/70/17/1185457017.db2.gz FDOLOTPJNYJNLY-SJORKVTESA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356506 1185457023 /nfs/dbraw/zinc/45/70/23/1185457023.db2.gz FDOLOTPJNYJNLY-SJORKVTESA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356506 1185457027 /nfs/dbraw/zinc/45/70/27/1185457027.db2.gz FDOLOTPJNYJNLY-SJORKVTESA-N 2 2 380.533 0.689 20 0 GCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC4(C[C@H]3C)CC[NH2+]CC4)CC2)cc[nH+]1 ZINC000581066414 1185482347 /nfs/dbraw/zinc/48/23/47/1185482347.db2.gz MSFGSPAZKTUFNZ-OAHLLOKOSA-N 2 2 386.500 0.424 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000581082094 1185490403 /nfs/dbraw/zinc/49/04/03/1185490403.db2.gz HFLWHXTUDYRFDN-SZMVWBNQSA-N 3 2 379.549 0.260 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581082094 1185490410 /nfs/dbraw/zinc/49/04/10/1185490410.db2.gz HFLWHXTUDYRFDN-SZMVWBNQSA-N 3 2 379.549 0.260 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419396040 1185501680 /nfs/dbraw/zinc/50/16/80/1185501680.db2.gz VJANOFBIHWHETJ-HOTGVXAUSA-N 2 2 382.892 0.506 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419396040 1185501686 /nfs/dbraw/zinc/50/16/86/1185501686.db2.gz VJANOFBIHWHETJ-HOTGVXAUSA-N 2 2 382.892 0.506 20 0 GCADLP CN(C(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152422 1185503783 /nfs/dbraw/zinc/50/37/83/1185503783.db2.gz BZEVKIGOFGWBSG-RXVVDRJESA-N 3 2 393.576 0.591 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000581193021 1185526839 /nfs/dbraw/zinc/52/68/39/1185526839.db2.gz DTLUEQMMARUQHH-RDJZCZTQSA-N 2 2 379.526 0.790 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000581193021 1185526842 /nfs/dbraw/zinc/52/68/42/1185526842.db2.gz DTLUEQMMARUQHH-RDJZCZTQSA-N 2 2 379.526 0.790 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000581193023 1185527101 /nfs/dbraw/zinc/52/71/01/1185527101.db2.gz DTLUEQMMARUQHH-WBVHZDCISA-N 2 2 379.526 0.790 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000581193023 1185527106 /nfs/dbraw/zinc/52/71/06/1185527106.db2.gz DTLUEQMMARUQHH-WBVHZDCISA-N 2 2 379.526 0.790 20 0 GCADLP C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)CC(C)(C)C[NH3+] ZINC000430560468 1185599660 /nfs/dbraw/zinc/59/96/60/1185599660.db2.gz WJZOVUWQSYMEJE-UHFFFAOYSA-N 2 2 396.557 0.577 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)CC(C)(C)C[NH3+] ZINC000430560468 1185599667 /nfs/dbraw/zinc/59/96/67/1185599667.db2.gz WJZOVUWQSYMEJE-UHFFFAOYSA-N 2 2 396.557 0.577 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000558442528 1185613248 /nfs/dbraw/zinc/61/32/48/1185613248.db2.gz ZPGUASJQSWYFQF-UHFFFAOYSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430571347 1185621392 /nfs/dbraw/zinc/62/13/92/1185621392.db2.gz LYKLWVBXVKJNQP-GOSISDBHSA-N 2 2 398.529 0.609 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000581383652 1185629287 /nfs/dbraw/zinc/62/92/87/1185629287.db2.gz QCEPEWLVHLFRCX-ZWKOTPCHSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000430589436 1185649767 /nfs/dbraw/zinc/64/97/67/1185649767.db2.gz AMFIUDZIZRYEOQ-LJQANCHMSA-N 2 2 396.557 0.624 20 0 GCADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000891411213 1185709603 /nfs/dbraw/zinc/70/96/03/1185709603.db2.gz DHWDKFJSSSNKBH-KRWDZBQOSA-N 2 2 397.570 0.877 20 0 GCADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000891411360 1185710827 /nfs/dbraw/zinc/71/08/27/1185710827.db2.gz HGUIPCFFXSBUGX-VQIMIIECSA-N 2 2 398.573 0.652 20 0 GCADLP COCCC1(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000891411772 1185711645 /nfs/dbraw/zinc/71/16/45/1185711645.db2.gz QXPXUBVVFXUHGH-SFHVURJKSA-N 2 2 386.562 0.652 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@@H]1C(F)(F)F ZINC000891412275 1185711804 /nfs/dbraw/zinc/71/18/04/1185711804.db2.gz WRXRZJOJAUAMHP-IPYPFGDCSA-N 2 2 396.479 0.973 20 0 GCADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581499326 1185729817 /nfs/dbraw/zinc/72/98/17/1185729817.db2.gz ASPOUYXTDVMRJL-UKPHBRMFSA-N 2 2 394.903 0.810 20 0 GCADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581499326 1185729820 /nfs/dbraw/zinc/72/98/20/1185729820.db2.gz ASPOUYXTDVMRJL-UKPHBRMFSA-N 2 2 394.903 0.810 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430609742 1185751461 /nfs/dbraw/zinc/75/14/61/1185751461.db2.gz ISKMKPJUSMVJID-KFWWJZLASA-N 2 2 382.530 0.831 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430609742 1185751467 /nfs/dbraw/zinc/75/14/67/1185751467.db2.gz ISKMKPJUSMVJID-KFWWJZLASA-N 2 2 382.530 0.831 20 0 GCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)C2)CC1 ZINC000581626129 1185792299 /nfs/dbraw/zinc/79/22/99/1185792299.db2.gz WKAIJVBVEKYZHJ-SFHVURJKSA-N 2 2 398.511 0.577 20 0 GCADLP O=C(CC1CC[NH2+]CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000581664944 1185826064 /nfs/dbraw/zinc/82/60/64/1185826064.db2.gz LKAVMNNINNUJLH-QGZVFWFLSA-N 2 2 388.516 0.788 20 0 GCADLP O=C(CC1CC[NH2+]CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000581664944 1185826073 /nfs/dbraw/zinc/82/60/73/1185826073.db2.gz LKAVMNNINNUJLH-QGZVFWFLSA-N 2 2 388.516 0.788 20 0 GCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCNC(C)=O)CC2)cc1 ZINC000581665532 1185827621 /nfs/dbraw/zinc/82/76/21/1185827621.db2.gz RURKKCWZOCKGJQ-UHFFFAOYSA-N 2 2 376.501 0.797 20 0 GCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCNC(C)=O)CC2)cc1 ZINC000581665532 1185827627 /nfs/dbraw/zinc/82/76/27/1185827627.db2.gz RURKKCWZOCKGJQ-UHFFFAOYSA-N 2 2 376.501 0.797 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCNC(C)=O)CC2)cc1 ZINC000581665532 1185827632 /nfs/dbraw/zinc/82/76/32/1185827632.db2.gz RURKKCWZOCKGJQ-UHFFFAOYSA-N 2 2 376.501 0.797 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCNC(C)=O)CC2)cc1 ZINC000581665532 1185827641 /nfs/dbraw/zinc/82/76/41/1185827641.db2.gz RURKKCWZOCKGJQ-UHFFFAOYSA-N 2 2 376.501 0.797 20 0 GCADLP C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000430643449 1185855917 /nfs/dbraw/zinc/85/59/17/1185855917.db2.gz RDQGHUXGYHFWEO-UHFFFAOYSA-N 2 2 380.514 0.203 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000430643449 1185855924 /nfs/dbraw/zinc/85/59/24/1185855924.db2.gz RDQGHUXGYHFWEO-UHFFFAOYSA-N 2 2 380.514 0.203 20 0 GCADLP CCc1ccccc1NC(=O)CN1CCN(C(=O)C[NH+]2CCC([NH3+])CC2)CC1 ZINC000430648821 1185864280 /nfs/dbraw/zinc/86/42/80/1185864280.db2.gz HSJMBQRIJSNGST-UHFFFAOYSA-N 2 2 387.528 0.755 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1C ZINC000891461973 1185881360 /nfs/dbraw/zinc/88/13/60/1185881360.db2.gz OMHQZZNHGKMWMF-BMFZPTHFSA-N 2 2 389.456 0.784 20 0 GCADLP COc1ccc(C[C@@](C)(CO)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000933425010 1185886012 /nfs/dbraw/zinc/88/60/12/1185886012.db2.gz WYTZCPQMZYLGNK-NRFANRHFSA-N 2 2 393.528 0.805 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC001022175352 1185938914 /nfs/dbraw/zinc/93/89/14/1185938914.db2.gz SYWKYNDISJEUCU-BVIKNXMNSA-N 2 2 382.468 0.788 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000419875788 1185974924 /nfs/dbraw/zinc/97/49/24/1185974924.db2.gz ONOIYNBGQNOESY-HZPDHXFCSA-N 2 2 388.516 0.943 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN(C)[C@@H](C)C[NH3+])CC2)cc1OC ZINC000430927555 1186054146 /nfs/dbraw/zinc/05/41/46/1186054146.db2.gz ITIBSZQOZWLEQP-INIZCTEOSA-N 2 2 378.517 0.935 20 0 GCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430930891 1186056196 /nfs/dbraw/zinc/05/61/96/1186056196.db2.gz AFEQEDOZOKLNMQ-CABCVRRESA-N 2 2 396.513 0.315 20 0 GCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430930891 1186056205 /nfs/dbraw/zinc/05/62/05/1186056205.db2.gz AFEQEDOZOKLNMQ-CABCVRRESA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430967453 1186077390 /nfs/dbraw/zinc/07/73/90/1186077390.db2.gz SADBKLJASWQYON-LSDHHAIUSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430967453 1186077401 /nfs/dbraw/zinc/07/74/01/1186077401.db2.gz SADBKLJASWQYON-LSDHHAIUSA-N 2 2 396.513 0.315 20 0 GCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000431018814 1186103829 /nfs/dbraw/zinc/10/38/29/1186103829.db2.gz YCDNTBYFAKIVEI-XLIONFOSSA-N 2 2 390.528 0.948 20 0 GCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000431018814 1186103833 /nfs/dbraw/zinc/10/38/33/1186103833.db2.gz YCDNTBYFAKIVEI-XLIONFOSSA-N 2 2 390.528 0.948 20 0 GCADLP O=C(CN1CC[NH2+]CC1=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000431032216 1186109324 /nfs/dbraw/zinc/10/93/24/1186109324.db2.gz AYWSTKSWBZIMOS-UHFFFAOYSA-N 2 2 393.919 0.400 20 0 GCADLP CN(C(=O)COCC(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000548450993 1186140033 /nfs/dbraw/zinc/14/00/33/1186140033.db2.gz ZQDZTGPRWSYHEY-UHFFFAOYSA-N 2 2 394.438 0.262 20 0 GCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000563097906 1186227392 /nfs/dbraw/zinc/22/73/92/1186227392.db2.gz HHNRFVFDXOAHJE-WMZOPIPTSA-N 2 2 388.512 0.986 20 0 GCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000563097906 1186227395 /nfs/dbraw/zinc/22/73/95/1186227395.db2.gz HHNRFVFDXOAHJE-WMZOPIPTSA-N 2 2 388.512 0.986 20 0 GCADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000181055927 1186245645 /nfs/dbraw/zinc/24/56/45/1186245645.db2.gz YADFRKSLRBBNRS-XLIONFOSSA-N 2 2 378.517 0.889 20 0 GCADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000181055927 1186245653 /nfs/dbraw/zinc/24/56/53/1186245653.db2.gz YADFRKSLRBBNRS-XLIONFOSSA-N 2 2 378.517 0.889 20 0 GCADLP Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001707912773 1186268790 /nfs/dbraw/zinc/26/87/90/1186268790.db2.gz FYFGMDNHWBESGM-SJORKVTESA-N 2 2 392.548 0.997 20 0 GCADLP Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001707912773 1186268795 /nfs/dbraw/zinc/26/87/95/1186268795.db2.gz FYFGMDNHWBESGM-SJORKVTESA-N 2 2 392.548 0.997 20 0 GCADLP C[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000511045015 1186354123 /nfs/dbraw/zinc/35/41/23/1186354123.db2.gz JWLPXXPEGDSNOH-SFHVURJKSA-N 2 2 393.576 0.463 20 0 GCADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000548631678 1186361072 /nfs/dbraw/zinc/36/10/72/1186361072.db2.gz AQKQOCJDAVWXDY-AWEZNQCLSA-N 2 2 378.473 0.220 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000582076191 1186399144 /nfs/dbraw/zinc/39/91/44/1186399144.db2.gz FQRKQWIJGWJVLH-OKZBNKHCSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000582076191 1186399151 /nfs/dbraw/zinc/39/91/51/1186399151.db2.gz FQRKQWIJGWJVLH-OKZBNKHCSA-N 2 2 382.549 0.791 20 0 GCADLP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000559552011 1186435131 /nfs/dbraw/zinc/43/51/31/1186435131.db2.gz PNRFADPFZJBLEI-SFHVURJKSA-N 2 2 382.549 0.840 20 0 GCADLP Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(N(C)C)[nH+]1 ZINC000785119570 1186440359 /nfs/dbraw/zinc/44/03/59/1186440359.db2.gz QCTYDTQTAHXICX-IRXDYDNUSA-N 2 2 389.500 0.889 20 0 GCADLP Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(N(C)C)[nH+]1 ZINC000785119569 1186440472 /nfs/dbraw/zinc/44/04/72/1186440472.db2.gz QCTYDTQTAHXICX-IAGOWNOFSA-N 2 2 389.500 0.889 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000582315902 1186492724 /nfs/dbraw/zinc/49/27/24/1186492724.db2.gz NNHITOURUSDOLL-RBUKOAKNSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000582315902 1186492725 /nfs/dbraw/zinc/49/27/25/1186492725.db2.gz NNHITOURUSDOLL-RBUKOAKNSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)(N2CCOCC2)CC1 ZINC000413483017 1186522694 /nfs/dbraw/zinc/52/26/94/1186522694.db2.gz QOXIAUOTJFTRNO-QGZVFWFLSA-N 2 2 390.532 0.646 20 0 GCADLP COC(=O)Cn1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)nn1 ZINC000582526983 1186558510 /nfs/dbraw/zinc/55/85/10/1186558510.db2.gz ZYADRQQQHFYAQA-HNNXBMFYSA-N 2 2 378.502 0.591 20 0 GCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582545756 1186562400 /nfs/dbraw/zinc/56/24/00/1186562400.db2.gz FJMRSOIKWOABJS-OKZBNKHCSA-N 2 2 393.532 0.234 20 0 GCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582545756 1186562406 /nfs/dbraw/zinc/56/24/06/1186562406.db2.gz FJMRSOIKWOABJS-OKZBNKHCSA-N 2 2 393.532 0.234 20 0 GCADLP C[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000563206606 1186564145 /nfs/dbraw/zinc/56/41/45/1186564145.db2.gz NUKHYKHAOMBXGT-MNEFBYGVSA-N 2 2 376.476 0.926 20 0 GCADLP CN(C(=O)[C@H]1CCCSC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000582639293 1186594098 /nfs/dbraw/zinc/59/40/98/1186594098.db2.gz WEACUVYQUKXUST-INIZCTEOSA-N 2 2 382.574 0.826 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000277780765 1186605736 /nfs/dbraw/zinc/60/57/36/1186605736.db2.gz LWNAREVCIAGKSJ-DLBZAZTESA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000277780765 1186605739 /nfs/dbraw/zinc/60/57/39/1186605739.db2.gz LWNAREVCIAGKSJ-DLBZAZTESA-N 2 2 388.516 0.571 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000277780765 1186605742 /nfs/dbraw/zinc/60/57/42/1186605742.db2.gz LWNAREVCIAGKSJ-DLBZAZTESA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000277780765 1186605745 /nfs/dbraw/zinc/60/57/45/1186605745.db2.gz LWNAREVCIAGKSJ-DLBZAZTESA-N 2 2 388.516 0.571 20 0 GCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657529023 1186617510 /nfs/dbraw/zinc/61/75/10/1186617510.db2.gz FADRCZVHFBCPSS-UHFFFAOYSA-N 2 2 380.452 0.474 20 0 GCADLP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000582718509 1186624356 /nfs/dbraw/zinc/62/43/56/1186624356.db2.gz OIWKKQOHSBWIOQ-INIZCTEOSA-N 2 2 391.516 0.664 20 0 GCADLP C[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000650662169 1186713098 /nfs/dbraw/zinc/71/30/98/1186713098.db2.gz BICVVVXYIDGCQZ-FXAWDEMLSA-N 2 2 387.528 0.658 20 0 GCADLP C[C@@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000650662169 1186713100 /nfs/dbraw/zinc/71/31/00/1186713100.db2.gz BICVVVXYIDGCQZ-FXAWDEMLSA-N 2 2 387.528 0.658 20 0 GCADLP CN(CCC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000582975952 1186740280 /nfs/dbraw/zinc/74/02/80/1186740280.db2.gz MLLNWPHTPQZDIK-CVEARBPZSA-N 2 2 382.892 0.635 20 0 GCADLP CN(CCC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000582975952 1186740282 /nfs/dbraw/zinc/74/02/82/1186740282.db2.gz MLLNWPHTPQZDIK-CVEARBPZSA-N 2 2 382.892 0.635 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000582982971 1186743322 /nfs/dbraw/zinc/74/33/22/1186743322.db2.gz RIIPZRSXELKGOK-QZTJIDSGSA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCN(CCCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000079167797 1186746490 /nfs/dbraw/zinc/74/64/90/1186746490.db2.gz WEGNOMKQHKSPEP-UHFFFAOYSA-N 2 2 382.597 0.729 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000583010466 1186747059 /nfs/dbraw/zinc/74/70/59/1186747059.db2.gz BOBAHCLNMSCXFA-HXUWFJFHSA-N 2 2 380.533 0.500 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000583010466 1186747060 /nfs/dbraw/zinc/74/70/60/1186747060.db2.gz BOBAHCLNMSCXFA-HXUWFJFHSA-N 2 2 380.533 0.500 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000583010466 1186747061 /nfs/dbraw/zinc/74/70/61/1186747061.db2.gz BOBAHCLNMSCXFA-HXUWFJFHSA-N 2 2 380.533 0.500 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000583010466 1186747062 /nfs/dbraw/zinc/74/70/62/1186747062.db2.gz BOBAHCLNMSCXFA-HXUWFJFHSA-N 2 2 380.533 0.500 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000472278084 1186757572 /nfs/dbraw/zinc/75/75/72/1186757572.db2.gz QZFDVBNJASFHLH-INIZCTEOSA-N 2 2 398.529 0.705 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000472278084 1186757573 /nfs/dbraw/zinc/75/75/73/1186757573.db2.gz QZFDVBNJASFHLH-INIZCTEOSA-N 2 2 398.529 0.705 20 0 GCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657745159 1186808188 /nfs/dbraw/zinc/80/81/88/1186808188.db2.gz OILKBCGOAQKROL-RBUKOAKNSA-N 2 2 392.544 0.500 20 0 GCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657745159 1186808194 /nfs/dbraw/zinc/80/81/94/1186808194.db2.gz OILKBCGOAQKROL-RBUKOAKNSA-N 2 2 392.544 0.500 20 0 GCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657745157 1186808353 /nfs/dbraw/zinc/80/83/53/1186808353.db2.gz OILKBCGOAQKROL-OALUTQOASA-N 2 2 392.544 0.500 20 0 GCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657745157 1186808357 /nfs/dbraw/zinc/80/83/57/1186808357.db2.gz OILKBCGOAQKROL-OALUTQOASA-N 2 2 392.544 0.500 20 0 GCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000583371828 1186838467 /nfs/dbraw/zinc/83/84/67/1186838467.db2.gz XHHJNCIUIVQONT-IBGZPJMESA-N 2 2 389.544 0.757 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc(C)[nH+]1 ZINC000583624986 1186902668 /nfs/dbraw/zinc/90/26/68/1186902668.db2.gz RLIJQABFNIPSJX-IBGZPJMESA-N 2 2 387.528 0.942 20 0 GCADLP CC(C)C[C@H](CCO)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685179197 1186915024 /nfs/dbraw/zinc/91/50/24/1186915024.db2.gz XOGHFRHUZCPYSV-PKOBYXMFSA-N 2 2 396.576 0.774 20 0 GCADLP CC(C)C[C@H](CCO)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685179197 1186915026 /nfs/dbraw/zinc/91/50/26/1186915026.db2.gz XOGHFRHUZCPYSV-PKOBYXMFSA-N 2 2 396.576 0.774 20 0 GCADLP CCOCC[NH+]1CCN(c2ccnc(N3CC[NH+](CCOCC)CC3)n2)CC1 ZINC000892353228 1186929148 /nfs/dbraw/zinc/92/91/48/1186929148.db2.gz AFFURKICVMMHSY-UHFFFAOYSA-N 2 2 392.548 0.794 20 0 GCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CC1 ZINC000583753442 1186932115 /nfs/dbraw/zinc/93/21/15/1186932115.db2.gz CEGTWEOWINQMIU-SFHVURJKSA-N 2 2 398.504 0.376 20 0 GCADLP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000130937649 1186949798 /nfs/dbraw/zinc/94/97/98/1186949798.db2.gz FYPPMCPCCWWIQU-WOJBJXKFSA-N 2 2 390.528 0.891 20 0 GCADLP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000130937649 1186949799 /nfs/dbraw/zinc/94/97/99/1186949799.db2.gz FYPPMCPCCWWIQU-WOJBJXKFSA-N 2 2 390.528 0.891 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000685231984 1186960664 /nfs/dbraw/zinc/96/06/64/1186960664.db2.gz GEJRIWRXRQPLDZ-SQNIBIBYSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000685231984 1186960666 /nfs/dbraw/zinc/96/06/66/1186960666.db2.gz GEJRIWRXRQPLDZ-SQNIBIBYSA-N 2 2 380.533 0.687 20 0 GCADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168955381 1187014333 /nfs/dbraw/zinc/01/43/33/1187014333.db2.gz RJFMYNNBJXVEPY-HNNXBMFYSA-N 2 2 384.402 0.828 20 0 GCADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168955381 1187014336 /nfs/dbraw/zinc/01/43/36/1187014336.db2.gz RJFMYNNBJXVEPY-HNNXBMFYSA-N 2 2 384.402 0.828 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000562571623 1187015561 /nfs/dbraw/zinc/01/55/61/1187015561.db2.gz TWDNJIPWMQIJMV-ROUUACIJSA-N 2 2 393.532 0.692 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000562571623 1187015565 /nfs/dbraw/zinc/01/55/65/1187015565.db2.gz TWDNJIPWMQIJMV-ROUUACIJSA-N 2 2 393.532 0.692 20 0 GCADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000584351886 1187037037 /nfs/dbraw/zinc/03/70/37/1187037037.db2.gz SXVQBTZYXOQLHQ-INIZCTEOSA-N 2 2 376.457 0.731 20 0 GCADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000584351886 1187037045 /nfs/dbraw/zinc/03/70/45/1187037045.db2.gz SXVQBTZYXOQLHQ-INIZCTEOSA-N 2 2 376.457 0.731 20 0 GCADLP O=S(=O)(CC[NH2+][C@@H]1CCCn2nccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000657841255 1187039665 /nfs/dbraw/zinc/03/96/65/1187039665.db2.gz BDKHVHFXOYAZCL-MRXNPFEDSA-N 2 2 390.513 0.855 20 0 GCADLP CN(C(=O)CCC1CCOCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329799343 1187054610 /nfs/dbraw/zinc/05/46/10/1187054610.db2.gz IDXRXLLATFTMRQ-UHFFFAOYSA-N 2 2 394.560 0.890 20 0 GCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000685304083 1187061378 /nfs/dbraw/zinc/06/13/78/1187061378.db2.gz YTTCXDTVVRBKEW-ATZDWAIDSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000685304083 1187061382 /nfs/dbraw/zinc/06/13/82/1187061382.db2.gz YTTCXDTVVRBKEW-ATZDWAIDSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685304083 1187061385 /nfs/dbraw/zinc/06/13/85/1187061385.db2.gz YTTCXDTVVRBKEW-ATZDWAIDSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685304083 1187061389 /nfs/dbraw/zinc/06/13/89/1187061389.db2.gz YTTCXDTVVRBKEW-ATZDWAIDSA-N 3 2 391.560 0.212 20 0 GCADLP CN(C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1)S(C)(=O)=O ZINC000092530328 1187072054 /nfs/dbraw/zinc/07/20/54/1187072054.db2.gz NYSCWLCEKOFNLT-UHFFFAOYSA-N 2 2 382.534 0.084 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000685336363 1187101646 /nfs/dbraw/zinc/10/16/46/1187101646.db2.gz VKTWVTNGGCCGAX-XKQJLSEDSA-N 2 2 380.464 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336363 1187101647 /nfs/dbraw/zinc/10/16/47/1187101647.db2.gz VKTWVTNGGCCGAX-XKQJLSEDSA-N 2 2 380.464 0.380 20 0 GCADLP O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000924514886 1187126745 /nfs/dbraw/zinc/12/67/45/1187126745.db2.gz DMTJNAWUIWUDOU-YJBOKZPZSA-N 2 2 382.530 0.601 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2O)CC[N@@H+]1C ZINC001023978586 1187208531 /nfs/dbraw/zinc/20/85/31/1187208531.db2.gz CGINMAFXIIHNQX-YLFCFFPRSA-N 2 2 390.484 0.051 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2O)CC[N@H+]1C ZINC001023978586 1187208535 /nfs/dbraw/zinc/20/85/35/1187208535.db2.gz CGINMAFXIIHNQX-YLFCFFPRSA-N 2 2 390.484 0.051 20 0 GCADLP COCc1nccc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000892439021 1187318374 /nfs/dbraw/zinc/31/83/74/1187318374.db2.gz AHTANXTYAQWRHT-UHFFFAOYSA-N 2 2 376.505 0.298 20 0 GCADLP CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)[NH+]1CCCCC1 ZINC001024376423 1187366030 /nfs/dbraw/zinc/36/60/30/1187366030.db2.gz JHDWJROAHYPSBA-MUIFIZLQSA-N 2 2 389.500 0.466 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC[N@@H+]1C ZINC001024384459 1187371678 /nfs/dbraw/zinc/37/16/78/1187371678.db2.gz WELVLXKFPVVQTE-YLFCFFPRSA-N 2 2 391.516 0.345 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC[N@H+]1C ZINC001024384459 1187371680 /nfs/dbraw/zinc/37/16/80/1187371680.db2.gz WELVLXKFPVVQTE-YLFCFFPRSA-N 2 2 391.516 0.345 20 0 GCADLP O=C(CC[NH+]1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379595 1187377513 /nfs/dbraw/zinc/37/75/13/1187377513.db2.gz REIZUWULUGLXDK-MUIFIZLQSA-N 2 2 375.473 0.077 20 0 GCADLP O=C(CC[NH+]1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379595 1187377516 /nfs/dbraw/zinc/37/75/16/1187377516.db2.gz REIZUWULUGLXDK-MUIFIZLQSA-N 2 2 375.473 0.077 20 0 GCADLP Cc1nc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736203 1187387201 /nfs/dbraw/zinc/38/72/01/1187387201.db2.gz SMURRSXLJGHMLO-OAHLLOKOSA-N 2 2 385.472 0.261 20 0 GCADLP Cc1nc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736203 1187387204 /nfs/dbraw/zinc/38/72/04/1187387204.db2.gz SMURRSXLJGHMLO-OAHLLOKOSA-N 2 2 385.472 0.261 20 0 GCADLP COCC[NH+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000431629521 1187416474 /nfs/dbraw/zinc/41/64/74/1187416474.db2.gz WZRJFWFYCZAJKZ-UHFFFAOYSA-N 2 2 397.564 0.587 20 0 GCADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000375808641 1187426650 /nfs/dbraw/zinc/42/66/50/1187426650.db2.gz DGGJJBBLAPNXJB-PKOBYXMFSA-N 2 2 394.560 0.746 20 0 GCADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000375808641 1187426658 /nfs/dbraw/zinc/42/66/58/1187426658.db2.gz DGGJJBBLAPNXJB-PKOBYXMFSA-N 2 2 394.560 0.746 20 0 GCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000612330911 1187463021 /nfs/dbraw/zinc/46/30/21/1187463021.db2.gz BDAGYFGFDWGQLC-UHFFFAOYSA-N 2 2 381.565 0.766 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000612475132 1187501236 /nfs/dbraw/zinc/50/12/36/1187501236.db2.gz PUFHGJQAHLSQPR-IBGZPJMESA-N 2 2 388.512 0.980 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000612475132 1187501237 /nfs/dbraw/zinc/50/12/37/1187501237.db2.gz PUFHGJQAHLSQPR-IBGZPJMESA-N 2 2 388.512 0.980 20 0 GCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544538 1187521810 /nfs/dbraw/zinc/52/18/10/1187521810.db2.gz DSGIMACXZKABND-AEFFLSMTSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544538 1187521815 /nfs/dbraw/zinc/52/18/15/1187521815.db2.gz DSGIMACXZKABND-AEFFLSMTSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544538 1187521819 /nfs/dbraw/zinc/52/18/19/1187521819.db2.gz DSGIMACXZKABND-AEFFLSMTSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544538 1187521824 /nfs/dbraw/zinc/52/18/24/1187521824.db2.gz DSGIMACXZKABND-AEFFLSMTSA-N 3 2 379.549 0.214 20 0 GCADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000612595149 1187535930 /nfs/dbraw/zinc/53/59/30/1187535930.db2.gz STYIUPAIWNDHKV-FUHWJXTLSA-N 2 2 388.468 0.431 20 0 GCADLP C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000658820687 1187552437 /nfs/dbraw/zinc/55/24/37/1187552437.db2.gz ZONNFWDIESDPJR-WMZOPIPTSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000658820687 1187552442 /nfs/dbraw/zinc/55/24/42/1187552442.db2.gz ZONNFWDIESDPJR-WMZOPIPTSA-N 2 2 382.549 0.480 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000612714303 1187561530 /nfs/dbraw/zinc/56/15/30/1187561530.db2.gz KTJJSWOSNNAWFJ-SFHVURJKSA-N 2 2 395.548 0.483 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+](C)C1 ZINC000413896059 1187572758 /nfs/dbraw/zinc/57/27/58/1187572758.db2.gz FVYUCQFRCWBKAW-MOPGFXCFSA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+](C)C1 ZINC000413896059 1187572763 /nfs/dbraw/zinc/57/27/63/1187572763.db2.gz FVYUCQFRCWBKAW-MOPGFXCFSA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413896059 1187572768 /nfs/dbraw/zinc/57/27/68/1187572768.db2.gz FVYUCQFRCWBKAW-MOPGFXCFSA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413896059 1187572772 /nfs/dbraw/zinc/57/27/72/1187572772.db2.gz FVYUCQFRCWBKAW-MOPGFXCFSA-N 2 2 389.496 0.841 20 0 GCADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)c1cnn(C)c1)[NH+]1CC(C)C1 ZINC000570343422 1187575535 /nfs/dbraw/zinc/57/55/35/1187575535.db2.gz PQCCTODLZZZIQA-NUJGCVRESA-N 2 2 390.532 0.374 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+](C)C1 ZINC000413904689 1187577181 /nfs/dbraw/zinc/57/71/81/1187577181.db2.gz PWCVMCAADBUMGE-HKUYNNGSSA-N 2 2 389.496 0.748 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+](C)C1 ZINC000413904689 1187577183 /nfs/dbraw/zinc/57/71/83/1187577183.db2.gz PWCVMCAADBUMGE-HKUYNNGSSA-N 2 2 389.496 0.748 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+](C)C1 ZINC000413906682 1187579170 /nfs/dbraw/zinc/57/91/70/1187579170.db2.gz SCLFSBHMGBPDMB-ROUUACIJSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+](C)C1 ZINC000413906682 1187579173 /nfs/dbraw/zinc/57/91/73/1187579173.db2.gz SCLFSBHMGBPDMB-ROUUACIJSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413906682 1187579178 /nfs/dbraw/zinc/57/91/78/1187579178.db2.gz SCLFSBHMGBPDMB-ROUUACIJSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413906682 1187579181 /nfs/dbraw/zinc/57/91/81/1187579181.db2.gz SCLFSBHMGBPDMB-ROUUACIJSA-N 2 2 375.469 0.451 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612773500 1187581328 /nfs/dbraw/zinc/58/13/28/1187581328.db2.gz AKBVPXWULLYFSH-UHFFFAOYSA-N 2 2 394.560 0.794 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612773500 1187581330 /nfs/dbraw/zinc/58/13/30/1187581330.db2.gz AKBVPXWULLYFSH-UHFFFAOYSA-N 2 2 394.560 0.794 20 0 GCADLP Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000612909558 1187616557 /nfs/dbraw/zinc/61/65/57/1187616557.db2.gz WLAIZQQLLIZJIX-OAHLLOKOSA-N 2 2 386.504 0.685 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000413969414 1187618586 /nfs/dbraw/zinc/61/85/86/1187618586.db2.gz VBTQIJBHCFNKLW-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000413969414 1187618588 /nfs/dbraw/zinc/61/85/88/1187618588.db2.gz VBTQIJBHCFNKLW-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](CC)[C@H](C)C3)[nH]n2)C[C@H]1C ZINC000612952896 1187625139 /nfs/dbraw/zinc/62/51/39/1187625139.db2.gz GFLGSTFQTUPRRF-HUUCEWRRSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](CC)[C@H](C)C3)[nH]n2)C[C@H]1C ZINC000612952896 1187625141 /nfs/dbraw/zinc/62/51/41/1187625141.db2.gz GFLGSTFQTUPRRF-HUUCEWRRSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](CC)[C@H](C)C3)n[nH]2)C[C@H]1C ZINC000612952896 1187625144 /nfs/dbraw/zinc/62/51/44/1187625144.db2.gz GFLGSTFQTUPRRF-HUUCEWRRSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](CC)[C@H](C)C3)n[nH]2)C[C@H]1C ZINC000612952896 1187625147 /nfs/dbraw/zinc/62/51/47/1187625147.db2.gz GFLGSTFQTUPRRF-HUUCEWRRSA-N 2 2 376.505 0.742 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](C)CC3(C)C)[nH]n2)C(C)(C)C1 ZINC000613161215 1187681979 /nfs/dbraw/zinc/68/19/79/1187681979.db2.gz UFTXGXQIWWJSEO-UHFFFAOYSA-N 2 2 376.505 0.742 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](C)CC3(C)C)[nH]n2)C(C)(C)C1 ZINC000613161215 1187681982 /nfs/dbraw/zinc/68/19/82/1187681982.db2.gz UFTXGXQIWWJSEO-UHFFFAOYSA-N 2 2 376.505 0.742 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](C)CC3(C)C)n[nH]2)C(C)(C)C1 ZINC000613161215 1187681984 /nfs/dbraw/zinc/68/19/84/1187681984.db2.gz UFTXGXQIWWJSEO-UHFFFAOYSA-N 2 2 376.505 0.742 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](C)CC3(C)C)n[nH]2)C(C)(C)C1 ZINC000613161215 1187681987 /nfs/dbraw/zinc/68/19/87/1187681987.db2.gz UFTXGXQIWWJSEO-UHFFFAOYSA-N 2 2 376.505 0.742 20 0 GCADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N1CCOCC1 ZINC000167074714 1187735762 /nfs/dbraw/zinc/73/57/62/1187735762.db2.gz PRCSBBYHLPHCRR-MSOLQXFVSA-N 2 2 388.578 0.832 20 0 GCADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N1CCOCC1 ZINC000167074714 1187735765 /nfs/dbraw/zinc/73/57/65/1187735765.db2.gz PRCSBBYHLPHCRR-MSOLQXFVSA-N 2 2 388.578 0.832 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)CC1 ZINC000549046264 1187795457 /nfs/dbraw/zinc/79/54/57/1187795457.db2.gz JSKSQACIIHTZIZ-ZWKOTPCHSA-N 2 2 377.533 0.998 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H](C)O1 ZINC000658944878 1187805530 /nfs/dbraw/zinc/80/55/30/1187805530.db2.gz PKSUECJMFVJXHD-RDGPPVDQSA-N 2 2 390.528 0.559 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H](C)O1 ZINC000658944878 1187805533 /nfs/dbraw/zinc/80/55/33/1187805533.db2.gz PKSUECJMFVJXHD-RDGPPVDQSA-N 2 2 390.528 0.559 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@@H](C)O1 ZINC000658944880 1187805606 /nfs/dbraw/zinc/80/56/06/1187805606.db2.gz PKSUECJMFVJXHD-YRXWBPOGSA-N 2 2 390.528 0.559 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCCO[C@H](C[NH3+])C3)C2)c1 ZINC000892608954 1187824881 /nfs/dbraw/zinc/82/48/81/1187824881.db2.gz KJVFECAOWFGEMH-MOPGFXCFSA-N 2 2 376.501 0.955 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCCO[C@H](C[NH3+])C3)C2)c1 ZINC000892608954 1187824885 /nfs/dbraw/zinc/82/48/85/1187824885.db2.gz KJVFECAOWFGEMH-MOPGFXCFSA-N 2 2 376.501 0.955 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)C2)c1 ZINC000892609345 1187825670 /nfs/dbraw/zinc/82/56/70/1187825670.db2.gz NSBCFLFYMKYZAA-BHIYHBOVSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)C2)c1 ZINC000892609345 1187825673 /nfs/dbraw/zinc/82/56/73/1187825673.db2.gz NSBCFLFYMKYZAA-BHIYHBOVSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)C2)c1 ZINC000892609348 1187825842 /nfs/dbraw/zinc/82/58/42/1187825842.db2.gz NSBCFLFYMKYZAA-UHOSZYNNSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)C2)c1 ZINC000892609348 1187825847 /nfs/dbraw/zinc/82/58/47/1187825847.db2.gz NSBCFLFYMKYZAA-UHOSZYNNSA-N 2 2 376.501 0.953 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000580069187 1187839532 /nfs/dbraw/zinc/83/95/32/1187839532.db2.gz PCRBYVBQXQDIAL-NRFANRHFSA-N 2 2 391.479 0.943 20 0 GCADLP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)CC1 ZINC000176336423 1187844564 /nfs/dbraw/zinc/84/45/64/1187844564.db2.gz PWRKZOKPKPOVLS-NRFANRHFSA-N 2 2 390.528 0.247 20 0 GCADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCS(=O)(=O)CC1 ZINC000187123620 1187883128 /nfs/dbraw/zinc/88/31/28/1187883128.db2.gz YEKCOSRFPNHZHC-INIZCTEOSA-N 2 2 394.541 0.923 20 0 GCADLP O=C(CCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000376495582 1187890076 /nfs/dbraw/zinc/89/00/76/1187890076.db2.gz PGGDDOVHOPGODV-OALUTQOASA-N 2 2 387.528 0.651 20 0 GCADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+]3CCOCC3)C2)cc1 ZINC000636444075 1187893008 /nfs/dbraw/zinc/89/30/08/1187893008.db2.gz NXGMVTZQOFQQDZ-LJQANCHMSA-N 2 2 388.512 0.524 20 0 GCADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+]3CCOCC3)C2)cc1 ZINC000636444075 1187893013 /nfs/dbraw/zinc/89/30/13/1187893013.db2.gz NXGMVTZQOFQQDZ-LJQANCHMSA-N 2 2 388.512 0.524 20 0 GCADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+]3CCOCC3)C2)cc1 ZINC000636444074 1187893390 /nfs/dbraw/zinc/89/33/90/1187893390.db2.gz NXGMVTZQOFQQDZ-IBGZPJMESA-N 2 2 388.512 0.524 20 0 GCADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+]3CCOCC3)C2)cc1 ZINC000636444074 1187893393 /nfs/dbraw/zinc/89/33/93/1187893393.db2.gz NXGMVTZQOFQQDZ-IBGZPJMESA-N 2 2 388.512 0.524 20 0 GCADLP O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000659130728 1187899486 /nfs/dbraw/zinc/89/94/86/1187899486.db2.gz NYWYCFXPKTYBMO-IBGZPJMESA-N 2 2 392.544 0.787 20 0 GCADLP O=C(C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000659130728 1187899490 /nfs/dbraw/zinc/89/94/90/1187899490.db2.gz NYWYCFXPKTYBMO-IBGZPJMESA-N 2 2 392.544 0.787 20 0 GCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC2)c1 ZINC000659256977 1187920812 /nfs/dbraw/zinc/92/08/12/1187920812.db2.gz VDRMZJSBIYQARG-INIZCTEOSA-N 2 2 398.467 0.799 20 0 GCADLP CCc1ccccc1NC(=O)CN1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000613553096 1187924322 /nfs/dbraw/zinc/92/43/22/1187924322.db2.gz UIJHDKFOAWMSGP-RTBURBONSA-N 2 2 399.539 0.483 20 0 GCADLP CCc1ccccc1NC(=O)CN1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613553090 1187924502 /nfs/dbraw/zinc/92/45/02/1187924502.db2.gz UIJHDKFOAWMSGP-OALUTQOASA-N 2 2 399.539 0.483 20 0 GCADLP CC[C@]1(C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344772 1187945885 /nfs/dbraw/zinc/94/58/85/1187945885.db2.gz KJAYPCSQCXXYAC-FXAWDEMLSA-N 2 2 380.533 0.641 20 0 GCADLP CC[C@]1(C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344772 1187945888 /nfs/dbraw/zinc/94/58/88/1187945888.db2.gz KJAYPCSQCXXYAC-FXAWDEMLSA-N 2 2 380.533 0.641 20 0 GCADLP CC[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344523 1187946120 /nfs/dbraw/zinc/94/61/20/1187946120.db2.gz BEUQHMGAMSFATD-SJORKVTESA-N 2 2 382.574 0.967 20 0 GCADLP CC[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344523 1187946125 /nfs/dbraw/zinc/94/61/25/1187946125.db2.gz BEUQHMGAMSFATD-SJORKVTESA-N 2 2 382.574 0.967 20 0 GCADLP CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344798 1187946320 /nfs/dbraw/zinc/94/63/20/1187946320.db2.gz KVYRAOOMFXRGFK-NZSAHSFTSA-N 2 2 394.560 0.623 20 0 GCADLP CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344798 1187946322 /nfs/dbraw/zinc/94/63/22/1187946322.db2.gz KVYRAOOMFXRGFK-NZSAHSFTSA-N 2 2 394.560 0.623 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344783 1187946370 /nfs/dbraw/zinc/94/63/70/1187946370.db2.gz KQXDZUBIZRMBLL-MOPGFXCFSA-N 3 2 391.560 0.310 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344783 1187946372 /nfs/dbraw/zinc/94/63/72/1187946372.db2.gz KQXDZUBIZRMBLL-MOPGFXCFSA-N 3 2 391.560 0.310 20 0 GCADLP CN(C[C@@H]1CCCCO1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344587 1187946403 /nfs/dbraw/zinc/94/64/03/1187946403.db2.gz HQRXHWIQTFHNMJ-MSOLQXFVSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C[C@@H]1CCCCO1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344587 1187946405 /nfs/dbraw/zinc/94/64/05/1187946405.db2.gz HQRXHWIQTFHNMJ-MSOLQXFVSA-N 2 2 380.533 0.641 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)S1 ZINC000659344595 1187947505 /nfs/dbraw/zinc/94/75/05/1187947505.db2.gz ISSKCFOYLPEOCN-HLLBOEOZSA-N 2 2 382.574 0.966 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)S1 ZINC000659344595 1187947508 /nfs/dbraw/zinc/94/75/08/1187947508.db2.gz ISSKCFOYLPEOCN-HLLBOEOZSA-N 2 2 382.574 0.966 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000659454897 1187960087 /nfs/dbraw/zinc/96/00/87/1187960087.db2.gz PPCUNCLHWPXSKP-LSDHHAIUSA-N 2 2 377.493 0.189 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000659454897 1187960090 /nfs/dbraw/zinc/96/00/90/1187960090.db2.gz PPCUNCLHWPXSKP-LSDHHAIUSA-N 2 2 377.493 0.189 20 0 GCADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659551597 1187971287 /nfs/dbraw/zinc/97/12/87/1187971287.db2.gz WXQJLBNNXCYPCI-RBUKOAKNSA-N 2 2 375.517 0.480 20 0 GCADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659551597 1187971289 /nfs/dbraw/zinc/97/12/89/1187971289.db2.gz WXQJLBNNXCYPCI-RBUKOAKNSA-N 2 2 375.517 0.480 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659687314 1187997472 /nfs/dbraw/zinc/99/74/72/1187997472.db2.gz STIOQRMGZNJUHO-INIZCTEOSA-N 2 2 388.516 0.096 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000415343856 1188057307 /nfs/dbraw/zinc/05/73/07/1188057307.db2.gz MEKKYLZPTXHJII-OAHLLOKOSA-N 2 2 387.484 0.110 20 0 GCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000415390941 1188069069 /nfs/dbraw/zinc/06/90/69/1188069069.db2.gz VKMAZEUQEGMMBP-MRXNPFEDSA-N 2 2 387.528 0.958 20 0 GCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)COCc1ccccc1F ZINC000644569108 1188087489 /nfs/dbraw/zinc/08/74/89/1188087489.db2.gz HDQLAWOXCYMHSP-MOPGFXCFSA-N 2 2 381.492 0.699 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCOC[C@H]3C[C@H]3CCOC3)C2)CC1 ZINC000893024904 1188104190 /nfs/dbraw/zinc/10/41/90/1188104190.db2.gz WXPWBWMZMYBNRK-ZIFCJYIRSA-N 2 2 380.533 0.992 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCOC[C@H]3C[C@H]3CCOC3)C2)CC1 ZINC000893024904 1188104194 /nfs/dbraw/zinc/10/41/94/1188104194.db2.gz WXPWBWMZMYBNRK-ZIFCJYIRSA-N 2 2 380.533 0.992 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3(C)CC[NH2+]CC3)c2)CC1 ZINC000415564717 1188109238 /nfs/dbraw/zinc/10/92/38/1188109238.db2.gz CLAPUTIPQCMEOO-UHFFFAOYSA-N 2 2 387.528 0.878 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000415619197 1188127625 /nfs/dbraw/zinc/12/76/25/1188127625.db2.gz YFYNHWKCCCWVAR-BETUJISGSA-N 2 2 384.427 0.945 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000415619197 1188127626 /nfs/dbraw/zinc/12/76/26/1188127626.db2.gz YFYNHWKCCCWVAR-BETUJISGSA-N 2 2 384.427 0.945 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)CC1 ZINC000415778184 1188163025 /nfs/dbraw/zinc/16/30/25/1188163025.db2.gz JGAAUPVHAFMHBO-HKUYNNGSSA-N 2 2 385.512 0.583 20 0 GCADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377917350 1189370793 /nfs/dbraw/zinc/37/07/93/1189370793.db2.gz SWIAOGXUYVOZFU-MSOLQXFVSA-N 2 2 382.549 0.791 20 0 GCADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377917350 1189370799 /nfs/dbraw/zinc/37/07/99/1189370799.db2.gz SWIAOGXUYVOZFU-MSOLQXFVSA-N 2 2 382.549 0.791 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@H]1C[NH3+] ZINC000415837333 1189376146 /nfs/dbraw/zinc/37/61/46/1189376146.db2.gz CMIMELPHXNPLEV-SJLPKXTDSA-N 2 2 387.528 0.816 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)c2)CC1 ZINC000415872995 1189394008 /nfs/dbraw/zinc/39/40/08/1189394008.db2.gz UCXDJAOJPIKUQV-MSOLQXFVSA-N 2 2 385.512 0.440 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@H](C)O1 ZINC000659897962 1189435079 /nfs/dbraw/zinc/43/50/79/1189435079.db2.gz ALFNFTJJTQRMBM-FUHIMQAGSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@H](C)O1 ZINC000659897962 1189435084 /nfs/dbraw/zinc/43/50/84/1189435084.db2.gz ALFNFTJJTQRMBM-FUHIMQAGSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C[C@H](C)O1 ZINC000659897962 1189435087 /nfs/dbraw/zinc/43/50/87/1189435087.db2.gz ALFNFTJJTQRMBM-FUHIMQAGSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C[C@H](C)O1 ZINC000659897962 1189435091 /nfs/dbraw/zinc/43/50/91/1189435091.db2.gz ALFNFTJJTQRMBM-FUHIMQAGSA-N 2 2 380.533 0.498 20 0 GCADLP CO[C@H](CC(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000416151062 1189445467 /nfs/dbraw/zinc/44/54/67/1189445467.db2.gz NVDPBZSRJIHDQP-GOSISDBHSA-N 2 2 382.549 0.744 20 0 GCADLP O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000378402843 1189498718 /nfs/dbraw/zinc/49/87/18/1189498718.db2.gz WSTJSEWMGYJGQS-LJQANCHMSA-N 2 2 394.560 0.544 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378409563 1189499086 /nfs/dbraw/zinc/49/90/86/1189499086.db2.gz MIFJLDRAONXBOA-OTWHNJEPSA-N 2 2 397.560 0.806 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378409563 1189499090 /nfs/dbraw/zinc/49/90/90/1189499090.db2.gz MIFJLDRAONXBOA-OTWHNJEPSA-N 2 2 397.560 0.806 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000378428975 1189503393 /nfs/dbraw/zinc/50/33/93/1189503393.db2.gz LNEGWZFCGXKRSZ-UHFFFAOYSA-N 2 2 397.541 0.596 20 0 GCADLP COC(=O)C1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000378614724 1189550707 /nfs/dbraw/zinc/55/07/07/1189550707.db2.gz DQLFHMISCAUHFP-HNNXBMFYSA-N 2 2 382.505 0.424 20 0 GCADLP COC(=O)C1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000378614724 1189550709 /nfs/dbraw/zinc/55/07/09/1189550709.db2.gz DQLFHMISCAUHFP-HNNXBMFYSA-N 2 2 382.505 0.424 20 0 GCADLP COc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000378619405 1189552327 /nfs/dbraw/zinc/55/23/27/1189552327.db2.gz VICWQLHOAYROIB-KRWDZBQOSA-N 2 2 399.499 0.911 20 0 GCADLP COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000378619405 1189552331 /nfs/dbraw/zinc/55/23/31/1189552331.db2.gz VICWQLHOAYROIB-KRWDZBQOSA-N 2 2 399.499 0.911 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3ccnn3)C2)CC1 ZINC000363895662 1189559026 /nfs/dbraw/zinc/55/90/26/1189559026.db2.gz FTAMDHDSKDSLAF-OAHLLOKOSA-N 2 2 397.483 0.491 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3ccnn3)C2)CC1 ZINC000363895662 1189559029 /nfs/dbraw/zinc/55/90/29/1189559029.db2.gz FTAMDHDSKDSLAF-OAHLLOKOSA-N 2 2 397.483 0.491 20 0 GCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363906281 1189563441 /nfs/dbraw/zinc/56/34/41/1189563441.db2.gz OIOOUWIEEIZZRG-MRXNPFEDSA-N 2 2 388.468 0.696 20 0 GCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363906281 1189563442 /nfs/dbraw/zinc/56/34/42/1189563442.db2.gz OIOOUWIEEIZZRG-MRXNPFEDSA-N 2 2 388.468 0.696 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000416931003 1189595303 /nfs/dbraw/zinc/59/53/03/1189595303.db2.gz KMUGPNDXFLHPIT-GOSISDBHSA-N 2 2 388.516 0.292 20 0 GCADLP [NH3+]C[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000417156924 1189627819 /nfs/dbraw/zinc/62/78/19/1189627819.db2.gz MFUUFWBRVKAAQE-KRWDZBQOSA-N 2 2 375.521 0.805 20 0 GCADLP COCC1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000417273487 1189637129 /nfs/dbraw/zinc/63/71/29/1189637129.db2.gz SUEPBCDTJXOHPN-SFHVURJKSA-N 2 2 386.562 0.510 20 0 GCADLP [NH3+][C@H]1CCC[C@H](CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417362671 1189652599 /nfs/dbraw/zinc/65/25/99/1189652599.db2.gz FEFHDUXGYIVMGG-IRXDYDNUSA-N 2 2 388.516 0.937 20 0 GCADLP [NH3+]C[C@@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000417370575 1189654595 /nfs/dbraw/zinc/65/45/95/1189654595.db2.gz UCCXRHQBLRFWKU-QGZVFWFLSA-N 2 2 388.516 0.937 20 0 GCADLP [NH3+]CC[C@@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417369174 1189654630 /nfs/dbraw/zinc/65/46/30/1189654630.db2.gz PWLMMHCGUMYVEH-KRWDZBQOSA-N 2 2 388.516 0.891 20 0 GCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000417409917 1189658939 /nfs/dbraw/zinc/65/89/39/1189658939.db2.gz AMDXWNWLJBFMBK-CYBMUJFWSA-N 2 2 381.443 0.233 20 0 GCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000417409917 1189658941 /nfs/dbraw/zinc/65/89/41/1189658941.db2.gz AMDXWNWLJBFMBK-CYBMUJFWSA-N 2 2 381.443 0.233 20 0 GCADLP O=C(NCCCN1CC[NH2+]CC1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604707 1189688614 /nfs/dbraw/zinc/68/86/14/1189688614.db2.gz VDVHVQFQOBPJJF-HXUWFJFHSA-N 2 2 389.544 0.524 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604693 1189688627 /nfs/dbraw/zinc/68/86/27/1189688627.db2.gz VDHPTYZLZDGLFX-MOPGFXCFSA-N 2 2 375.517 0.133 20 0 GCADLP COC[C@@]1(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000417602672 1189689819 /nfs/dbraw/zinc/68/98/19/1189689819.db2.gz OZNTVXUJVGUQCS-FPOVZHCZSA-N 2 2 390.528 0.998 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417616238 1189689891 /nfs/dbraw/zinc/68/98/91/1189689891.db2.gz DQWITKPNOHPXDU-JKSUJKDBSA-N 2 2 391.520 0.565 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417616238 1189689893 /nfs/dbraw/zinc/68/98/93/1189689893.db2.gz DQWITKPNOHPXDU-JKSUJKDBSA-N 2 2 391.520 0.565 20 0 GCADLP [NH3+][C@@H](CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000417618771 1189690257 /nfs/dbraw/zinc/69/02/57/1189690257.db2.gz HDJAVZKFRZYBNP-HOTGVXAUSA-N 2 2 389.504 0.319 20 0 GCADLP [NH3+][C@@H](CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000417618771 1189690259 /nfs/dbraw/zinc/69/02/59/1189690259.db2.gz HDJAVZKFRZYBNP-HOTGVXAUSA-N 2 2 389.504 0.319 20 0 GCADLP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417627283 1189692904 /nfs/dbraw/zinc/69/29/04/1189692904.db2.gz SIENXEUWEBOIBB-GJZGRUSLSA-N 2 2 377.493 0.176 20 0 GCADLP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417627283 1189692906 /nfs/dbraw/zinc/69/29/06/1189692906.db2.gz SIENXEUWEBOIBB-GJZGRUSLSA-N 2 2 377.493 0.176 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)c1 ZINC000188955743 1189693486 /nfs/dbraw/zinc/69/34/86/1189693486.db2.gz HPFHNSMORJDOOA-UHFFFAOYSA-N 2 2 385.468 0.901 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000660260616 1189695497 /nfs/dbraw/zinc/69/54/97/1189695497.db2.gz AGTBDYHUYGCIDI-SQNIBIBYSA-N 2 2 380.533 0.641 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000660260616 1189695501 /nfs/dbraw/zinc/69/55/01/1189695501.db2.gz AGTBDYHUYGCIDI-SQNIBIBYSA-N 2 2 380.533 0.641 20 0 GCADLP CC[N@H+](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)CCC(F)(F)F ZINC000418075489 1189718522 /nfs/dbraw/zinc/71/85/22/1189718522.db2.gz GYUFJMLSDMAYDS-CQSZACIVSA-N 2 2 393.454 0.867 20 0 GCADLP CC[N@@H+](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)CCC(F)(F)F ZINC000418075489 1189718527 /nfs/dbraw/zinc/71/85/27/1189718527.db2.gz GYUFJMLSDMAYDS-CQSZACIVSA-N 2 2 393.454 0.867 20 0 GCADLP CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CCN2C1=O ZINC000364281551 1189731161 /nfs/dbraw/zinc/73/11/61/1189731161.db2.gz MKZMCWBSQVKMOV-SJORKVTESA-N 2 2 387.484 0.374 20 0 GCADLP CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CCN2C1=O ZINC000364281551 1189731163 /nfs/dbraw/zinc/73/11/63/1189731163.db2.gz MKZMCWBSQVKMOV-SJORKVTESA-N 2 2 387.484 0.374 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000364372565 1189772530 /nfs/dbraw/zinc/77/25/30/1189772530.db2.gz KKSQXTAXWOVNLX-GUYCJALGSA-N 2 2 393.513 0.001 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000364372565 1189772533 /nfs/dbraw/zinc/77/25/33/1189772533.db2.gz KKSQXTAXWOVNLX-GUYCJALGSA-N 2 2 393.513 0.001 20 0 GCADLP CN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477517 1189781425 /nfs/dbraw/zinc/78/14/25/1189781425.db2.gz HBTPJHUOTBYSSU-KRWDZBQOSA-N 2 2 394.541 0.503 20 0 GCADLP CN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477517 1189781429 /nfs/dbraw/zinc/78/14/29/1189781429.db2.gz HBTPJHUOTBYSSU-KRWDZBQOSA-N 2 2 394.541 0.503 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000431981465 1189828002 /nfs/dbraw/zinc/82/80/02/1189828002.db2.gz OBSHFEQIOBHDMM-HZPDHXFCSA-N 2 2 387.484 0.908 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000431981465 1189828013 /nfs/dbraw/zinc/82/80/13/1189828013.db2.gz OBSHFEQIOBHDMM-HZPDHXFCSA-N 2 2 387.484 0.908 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000431981464 1189828514 /nfs/dbraw/zinc/82/85/14/1189828514.db2.gz OBSHFEQIOBHDMM-HOTGVXAUSA-N 2 2 387.484 0.908 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000431981464 1189828524 /nfs/dbraw/zinc/82/85/24/1189828524.db2.gz OBSHFEQIOBHDMM-HOTGVXAUSA-N 2 2 387.484 0.908 20 0 GCADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660469652 1189842154 /nfs/dbraw/zinc/84/21/54/1189842154.db2.gz QUHFQOUUQCHARW-INIZCTEOSA-N 2 2 383.514 0.900 20 0 GCADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660469652 1189842167 /nfs/dbraw/zinc/84/21/67/1189842167.db2.gz QUHFQOUUQCHARW-INIZCTEOSA-N 2 2 383.514 0.900 20 0 GCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000549514628 1189869226 /nfs/dbraw/zinc/86/92/26/1189869226.db2.gz VNPSQACBDHBGKJ-UHFFFAOYSA-N 2 2 384.440 0.074 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000660542718 1189895176 /nfs/dbraw/zinc/89/51/76/1189895176.db2.gz GTUKUXRJNNRCQM-OKZBNKHCSA-N 2 2 378.517 0.252 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000660542718 1189895182 /nfs/dbraw/zinc/89/51/82/1189895182.db2.gz GTUKUXRJNNRCQM-OKZBNKHCSA-N 2 2 378.517 0.252 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H]4NC(=O)CC[C@@H]4C3)CC2)CC1 ZINC000660573182 1189907941 /nfs/dbraw/zinc/90/79/41/1189907941.db2.gz GUQMZDKMPGIJMX-CRAIPNDOSA-N 2 2 377.533 0.855 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[N@H+](C)C1CC1 ZINC000636663705 1189960622 /nfs/dbraw/zinc/96/06/22/1189960622.db2.gz XAARHJGVNZNLEA-CQSZACIVSA-N 2 2 391.541 0.850 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[N@@H+](C)C1CC1 ZINC000636663705 1189960625 /nfs/dbraw/zinc/96/06/25/1189960625.db2.gz XAARHJGVNZNLEA-CQSZACIVSA-N 2 2 391.541 0.850 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC000975780542 1189977808 /nfs/dbraw/zinc/97/78/08/1189977808.db2.gz VQHMXMGUOVLRHJ-VSZNYVQBSA-N 2 2 389.500 0.360 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC000975780542 1189977811 /nfs/dbraw/zinc/97/78/11/1189977811.db2.gz VQHMXMGUOVLRHJ-VSZNYVQBSA-N 2 2 389.500 0.360 20 0 GCADLP C[C@H](O)CN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661065777 1189986312 /nfs/dbraw/zinc/98/63/12/1189986312.db2.gz FMCBCLGIULSSIM-JQHSSLGASA-N 2 2 382.549 0.621 20 0 GCADLP C[C@H](O)CN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661065777 1189986316 /nfs/dbraw/zinc/98/63/16/1189986316.db2.gz FMCBCLGIULSSIM-JQHSSLGASA-N 2 2 382.549 0.621 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000661178954 1190008582 /nfs/dbraw/zinc/00/85/82/1190008582.db2.gz CYMYKGUHOAPIPX-QRQLOZEOSA-N 2 2 398.507 0.656 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000661178954 1190008587 /nfs/dbraw/zinc/00/85/87/1190008587.db2.gz CYMYKGUHOAPIPX-QRQLOZEOSA-N 2 2 398.507 0.656 20 0 GCADLP O=C(CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)NCC[NH+]1CCCCCC1 ZINC000432224193 1190053912 /nfs/dbraw/zinc/05/39/12/1190053912.db2.gz BHQZBNZCXRORSO-KRWDZBQOSA-N 2 2 381.521 0.141 20 0 GCADLP O=C(CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)NCC[NH+]1CCCCCC1 ZINC000432224193 1190053920 /nfs/dbraw/zinc/05/39/20/1190053920.db2.gz BHQZBNZCXRORSO-KRWDZBQOSA-N 2 2 381.521 0.141 20 0 GCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662851098 1190054126 /nfs/dbraw/zinc/05/41/26/1190054126.db2.gz WKUQVIAUKRJALE-OTWHNJEPSA-N 2 2 386.496 0.357 20 0 GCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662851098 1190054130 /nfs/dbraw/zinc/05/41/30/1190054130.db2.gz WKUQVIAUKRJALE-OTWHNJEPSA-N 2 2 386.496 0.357 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000512666756 1193730055 /nfs/dbraw/zinc/73/00/55/1193730055.db2.gz MBMGQTNCEWQYEZ-DLBZAZTESA-N 2 2 388.578 0.869 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000512666756 1193730059 /nfs/dbraw/zinc/73/00/59/1193730059.db2.gz MBMGQTNCEWQYEZ-DLBZAZTESA-N 2 2 388.578 0.869 20 0 GCADLP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000332989348 1193755025 /nfs/dbraw/zinc/75/50/25/1193755025.db2.gz CDUSDKDZQOGANP-ICSRJNTNSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000332989348 1193755029 /nfs/dbraw/zinc/75/50/29/1193755029.db2.gz CDUSDKDZQOGANP-ICSRJNTNSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000332989348 1193755035 /nfs/dbraw/zinc/75/50/35/1193755035.db2.gz CDUSDKDZQOGANP-ICSRJNTNSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000332989348 1193755040 /nfs/dbraw/zinc/75/50/40/1193755040.db2.gz CDUSDKDZQOGANP-ICSRJNTNSA-N 2 2 376.501 0.595 20 0 GCADLP Cc1csc(N2CCC([NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1 ZINC000329173179 1193755366 /nfs/dbraw/zinc/75/53/66/1193755366.db2.gz LHISDUXQJDGNLE-QGZVFWFLSA-N 2 2 393.557 0.943 20 0 GCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000429856817 1193755883 /nfs/dbraw/zinc/75/58/83/1193755883.db2.gz DCGJHHUMDUNZGA-KRWDZBQOSA-N 2 2 392.504 0.097 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000664025931 1193761017 /nfs/dbraw/zinc/76/10/17/1193761017.db2.gz IUGKIBDCTLTCOV-KZNAEPCWSA-N 2 2 379.549 0.565 20 0 GCADLP CN(C)c1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000051889127 1193761952 /nfs/dbraw/zinc/76/19/52/1193761952.db2.gz BGTVKSVOMLCILW-UHFFFAOYSA-N 2 2 388.516 0.761 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000411729302 1193785715 /nfs/dbraw/zinc/78/57/15/1193785715.db2.gz MCXVMMDQBRGUAX-UHFFFAOYSA-N 2 2 392.500 0.492 20 0 GCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000419344000 1193836457 /nfs/dbraw/zinc/83/64/57/1193836457.db2.gz RJPRUFOTDBFOKT-KRWDZBQOSA-N 2 2 387.528 0.261 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](CN4CCCC4=O)C3)C2)CC1 ZINC000664129882 1193857479 /nfs/dbraw/zinc/85/74/79/1193857479.db2.gz KAXBACFRKMPXOX-IAGOWNOFSA-N 2 2 377.533 0.809 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](CN4CCCC4=O)C3)C2)CC1 ZINC000664129882 1193857482 /nfs/dbraw/zinc/85/74/82/1193857482.db2.gz KAXBACFRKMPXOX-IAGOWNOFSA-N 2 2 377.533 0.809 20 0 GCADLP Cn1ccnc1[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129327 1193857660 /nfs/dbraw/zinc/85/76/60/1193857660.db2.gz FEOWXOOWELQFBC-NVXWUHKLSA-N 2 2 392.548 0.947 20 0 GCADLP Cn1ccnc1[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129327 1193857666 /nfs/dbraw/zinc/85/76/66/1193857666.db2.gz FEOWXOOWELQFBC-NVXWUHKLSA-N 2 2 392.548 0.947 20 0 GCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C)C(C)(C)C3)O2)CC1(C)C ZINC000614409586 1193878490 /nfs/dbraw/zinc/87/84/90/1193878490.db2.gz IMEVCYSLVNFEFI-IYBDPMFKSA-N 2 2 380.533 0.639 20 0 GCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C)C(C)(C)C3)O2)CC1(C)C ZINC000614409586 1193878496 /nfs/dbraw/zinc/87/84/96/1193878496.db2.gz IMEVCYSLVNFEFI-IYBDPMFKSA-N 2 2 380.533 0.639 20 0 GCADLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C)C(C)(C)C3)O2)CC1(C)C ZINC000614409586 1193878499 /nfs/dbraw/zinc/87/84/99/1193878499.db2.gz IMEVCYSLVNFEFI-IYBDPMFKSA-N 2 2 380.533 0.639 20 0 GCADLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C)C(C)(C)C3)O2)CC1(C)C ZINC000614409586 1193878502 /nfs/dbraw/zinc/87/85/02/1193878502.db2.gz IMEVCYSLVNFEFI-IYBDPMFKSA-N 2 2 380.533 0.639 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](C)C(C)(C)C3)[nH]n2)CC1(C)C ZINC000614410564 1193878933 /nfs/dbraw/zinc/87/89/33/1193878933.db2.gz YWXGSIYARRBFNH-UHFFFAOYSA-N 2 2 376.505 0.742 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](C)C(C)(C)C3)[nH]n2)CC1(C)C ZINC000614410564 1193878938 /nfs/dbraw/zinc/87/89/38/1193878938.db2.gz YWXGSIYARRBFNH-UHFFFAOYSA-N 2 2 376.505 0.742 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](C)C(C)(C)C3)n[nH]2)CC1(C)C ZINC000614410564 1193878942 /nfs/dbraw/zinc/87/89/42/1193878942.db2.gz YWXGSIYARRBFNH-UHFFFAOYSA-N 2 2 376.505 0.742 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382604 1193888767 /nfs/dbraw/zinc/88/87/67/1193888767.db2.gz DPLXJEFSBKJXIN-GVDBMIGSSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382604 1193888771 /nfs/dbraw/zinc/88/87/71/1193888771.db2.gz DPLXJEFSBKJXIN-GVDBMIGSSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382605 1193889079 /nfs/dbraw/zinc/88/90/79/1193889079.db2.gz DPLXJEFSBKJXIN-IKGGRYGDSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382605 1193889082 /nfs/dbraw/zinc/88/90/82/1193889082.db2.gz DPLXJEFSBKJXIN-IKGGRYGDSA-N 2 2 394.903 0.696 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000419388977 1193900242 /nfs/dbraw/zinc/90/02/42/1193900242.db2.gz KUYIPRSWESLTEI-XYPHTWIQSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000419388977 1193900245 /nfs/dbraw/zinc/90/02/45/1193900245.db2.gz KUYIPRSWESLTEI-XYPHTWIQSA-N 2 2 394.903 0.648 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419391544 1193903037 /nfs/dbraw/zinc/90/30/37/1193903037.db2.gz NEKNLPYKQXAYAB-HZPDHXFCSA-N 2 2 380.876 0.260 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419391544 1193903039 /nfs/dbraw/zinc/90/30/39/1193903039.db2.gz NEKNLPYKQXAYAB-HZPDHXFCSA-N 2 2 380.876 0.260 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419392535 1193918978 /nfs/dbraw/zinc/91/89/78/1193918978.db2.gz OMPHVLJHRVXEMV-IAOVAPTHSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419392535 1193918981 /nfs/dbraw/zinc/91/89/81/1193918981.db2.gz OMPHVLJHRVXEMV-IAOVAPTHSA-N 2 2 394.903 0.648 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419393306 1193919483 /nfs/dbraw/zinc/91/94/83/1193919483.db2.gz PUOFVYBZLPKNBE-ULQDDVLXSA-N 2 2 394.903 0.681 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419393306 1193919486 /nfs/dbraw/zinc/91/94/86/1193919486.db2.gz PUOFVYBZLPKNBE-ULQDDVLXSA-N 2 2 394.903 0.681 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419394333 1193920598 /nfs/dbraw/zinc/92/05/98/1193920598.db2.gz RXZUCSHUYMYZLZ-HZPDHXFCSA-N 2 2 382.892 0.554 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419394333 1193920600 /nfs/dbraw/zinc/92/06/00/1193920600.db2.gz RXZUCSHUYMYZLZ-HZPDHXFCSA-N 2 2 382.892 0.554 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419394487 1193920629 /nfs/dbraw/zinc/92/06/29/1193920629.db2.gz SHYQXSZVVPETBT-IAGOWNOFSA-N 2 2 394.903 0.650 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419394487 1193920632 /nfs/dbraw/zinc/92/06/32/1193920632.db2.gz SHYQXSZVVPETBT-IAGOWNOFSA-N 2 2 394.903 0.650 20 0 GCADLP CCOC1CC(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000513198359 1193922007 /nfs/dbraw/zinc/92/20/07/1193922007.db2.gz COJVSPVWNGCERE-UHFFFAOYSA-N 2 2 380.533 0.498 20 0 GCADLP [NH3+]CCc1nc(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cs1 ZINC000262361304 1193946242 /nfs/dbraw/zinc/94/62/42/1193946242.db2.gz KIMDDYNOMWTHQJ-OAHLLOKOSA-N 2 2 390.509 0.842 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000262426889 1193947840 /nfs/dbraw/zinc/94/78/40/1193947840.db2.gz SIFIXHFPDLAVMA-WBVHZDCISA-N 2 2 379.526 0.932 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000262426889 1193947841 /nfs/dbraw/zinc/94/78/41/1193947841.db2.gz SIFIXHFPDLAVMA-WBVHZDCISA-N 2 2 379.526 0.932 20 0 GCADLP C[NH2+][C@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000262470547 1193949114 /nfs/dbraw/zinc/94/91/14/1193949114.db2.gz YGTCBXDTXDIERZ-IBGZPJMESA-N 2 2 384.484 0.141 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H](C)C[NH3+])cc2)CC1 ZINC000262480545 1193949359 /nfs/dbraw/zinc/94/93/59/1193949359.db2.gz ZNVWQZHVXRRBRE-INIZCTEOSA-N 2 2 376.501 0.483 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000513464453 1193953716 /nfs/dbraw/zinc/95/37/16/1193953716.db2.gz YJZLUIYSTCTSFE-MRXNPFEDSA-N 3 2 383.581 0.563 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000513464453 1193953718 /nfs/dbraw/zinc/95/37/18/1193953718.db2.gz YJZLUIYSTCTSFE-MRXNPFEDSA-N 3 2 383.581 0.563 20 0 GCADLP CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000513477739 1193955846 /nfs/dbraw/zinc/95/58/46/1193955846.db2.gz UUGDHNKENLZISK-ZWKOTPCHSA-N 2 2 394.560 0.935 20 0 GCADLP CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000513477739 1193955848 /nfs/dbraw/zinc/95/58/48/1193955848.db2.gz UUGDHNKENLZISK-ZWKOTPCHSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000664218563 1193970417 /nfs/dbraw/zinc/97/04/17/1193970417.db2.gz FDPNNJIQXUVHLY-OALUTQOASA-N 2 2 381.565 0.766 20 0 GCADLP O=C(NCC[N@H+]1CC=CCC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000280332330 1193987818 /nfs/dbraw/zinc/98/78/18/1193987818.db2.gz CYQXRQIZRAZQMP-UHFFFAOYSA-N 2 2 386.496 0.878 20 0 GCADLP O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000280332330 1193987820 /nfs/dbraw/zinc/98/78/20/1193987820.db2.gz CYQXRQIZRAZQMP-UHFFFAOYSA-N 2 2 386.496 0.878 20 0 GCADLP CC1(C)CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419405294 1194022063 /nfs/dbraw/zinc/02/20/63/1194022063.db2.gz UUCNWKIZLOEQPD-QGZVFWFLSA-N 2 2 390.553 0.931 20 0 GCADLP CC1(C)CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419405294 1194022068 /nfs/dbraw/zinc/02/20/68/1194022068.db2.gz UUCNWKIZLOEQPD-QGZVFWFLSA-N 2 2 390.553 0.931 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419405319 1194022098 /nfs/dbraw/zinc/02/20/98/1194022098.db2.gz UXJLGEGJSLNJPN-SOLBZPMBSA-N 2 2 390.553 0.929 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419405319 1194022104 /nfs/dbraw/zinc/02/21/04/1194022104.db2.gz UXJLGEGJSLNJPN-SOLBZPMBSA-N 2 2 390.553 0.929 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421864 1194023163 /nfs/dbraw/zinc/02/31/63/1194023163.db2.gz WILCBQVMUMCOTJ-WDSOQIARSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421864 1194023167 /nfs/dbraw/zinc/02/31/67/1194023167.db2.gz WILCBQVMUMCOTJ-WDSOQIARSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419411435 1194029894 /nfs/dbraw/zinc/02/98/94/1194029894.db2.gz BSOBKWSFXHOAQD-MJGOQNOKSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419411435 1194029897 /nfs/dbraw/zinc/02/98/97/1194029897.db2.gz BSOBKWSFXHOAQD-MJGOQNOKSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419411435 1194029901 /nfs/dbraw/zinc/02/99/01/1194029901.db2.gz BSOBKWSFXHOAQD-MJGOQNOKSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419411435 1194029903 /nfs/dbraw/zinc/02/99/03/1194029903.db2.gz BSOBKWSFXHOAQD-MJGOQNOKSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419446504 1194036398 /nfs/dbraw/zinc/03/63/98/1194036398.db2.gz FVYBXDPSXXBAFH-SQNIBIBYSA-N 2 2 387.528 0.522 20 0 GCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419504944 1194047007 /nfs/dbraw/zinc/04/70/07/1194047007.db2.gz KZJBDOSMYQZSKL-INIZCTEOSA-N 2 2 391.491 0.180 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487358 1194049087 /nfs/dbraw/zinc/04/90/87/1194049087.db2.gz BCCZTVUAOUDBRY-GBESFXJTSA-N 2 2 399.539 0.666 20 0 GCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419512269 1194051045 /nfs/dbraw/zinc/05/10/45/1194051045.db2.gz WZJXNZUUOJQQHM-JKSUJKDBSA-N 2 2 391.491 0.273 20 0 GCADLP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000419656376 1194074837 /nfs/dbraw/zinc/07/48/37/1194074837.db2.gz UEPFEHRXEFCYRU-AEFFLSMTSA-N 2 2 389.500 0.745 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1F ZINC000419657075 1194074934 /nfs/dbraw/zinc/07/49/34/1194074934.db2.gz VEJHMZYCSVWCKM-FUHWJXTLSA-N 2 2 399.470 0.971 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419969378 1194149653 /nfs/dbraw/zinc/14/96/53/1194149653.db2.gz SBLVJEPKKWVOOL-GOSISDBHSA-N 3 2 381.565 0.495 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419969378 1194149655 /nfs/dbraw/zinc/14/96/55/1194149655.db2.gz SBLVJEPKKWVOOL-GOSISDBHSA-N 3 2 381.565 0.495 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419973239 1194150304 /nfs/dbraw/zinc/15/03/04/1194150304.db2.gz HKFCZDHZCGBDHC-QXAKKESOSA-N 3 2 395.592 0.754 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419973239 1194150307 /nfs/dbraw/zinc/15/03/07/1194150307.db2.gz HKFCZDHZCGBDHC-QXAKKESOSA-N 3 2 395.592 0.754 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)c1 ZINC000420024000 1194158949 /nfs/dbraw/zinc/15/89/49/1194158949.db2.gz BARYMVNMNZLXJT-SJLPKXTDSA-N 2 2 388.512 0.868 20 0 GCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420056686 1194163909 /nfs/dbraw/zinc/16/39/09/1194163909.db2.gz IUEOOQTUVABUKT-LSDHHAIUSA-N 2 2 379.505 0.913 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000420040620 1194166873 /nfs/dbraw/zinc/16/68/73/1194166873.db2.gz LDIFGSQLMUJEIB-UHFFFAOYSA-N 2 2 382.549 0.984 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420044517 1194167622 /nfs/dbraw/zinc/16/76/22/1194167622.db2.gz TZRSAPIRVMJXOB-RYRKJORJSA-N 2 2 388.512 0.949 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420044517 1194167623 /nfs/dbraw/zinc/16/76/23/1194167623.db2.gz TZRSAPIRVMJXOB-RYRKJORJSA-N 2 2 388.512 0.949 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420084507 1194174468 /nfs/dbraw/zinc/17/44/68/1194174468.db2.gz ABKOXTUYQZTDHU-MSOLQXFVSA-N 3 2 393.576 0.780 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420084507 1194174471 /nfs/dbraw/zinc/17/44/71/1194174471.db2.gz ABKOXTUYQZTDHU-MSOLQXFVSA-N 3 2 393.576 0.780 20 0 GCADLP O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420088342 1194175735 /nfs/dbraw/zinc/17/57/35/1194175735.db2.gz DNPXCDJMJHOWGI-QAPCUYQASA-N 2 2 392.450 0.833 20 0 GCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159028 1194191025 /nfs/dbraw/zinc/19/10/25/1194191025.db2.gz HOJLLERXJQWRGO-IRXDYDNUSA-N 2 2 380.533 0.450 20 0 GCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159028 1194191027 /nfs/dbraw/zinc/19/10/27/1194191027.db2.gz HOJLLERXJQWRGO-IRXDYDNUSA-N 2 2 380.533 0.450 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000420154762 1194194878 /nfs/dbraw/zinc/19/48/78/1194194878.db2.gz SHMGCVACGXXJNI-UHFFFAOYSA-N 2 2 386.500 0.593 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000420221022 1194209635 /nfs/dbraw/zinc/20/96/35/1194209635.db2.gz ZQDFJLUIBGNZIK-CVEARBPZSA-N 2 2 388.516 0.801 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000501645658 1194215547 /nfs/dbraw/zinc/21/55/47/1194215547.db2.gz LXULFRBGUJFMTJ-NEWSRXKRSA-N 2 2 392.544 0.546 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000501645658 1194215549 /nfs/dbraw/zinc/21/55/49/1194215549.db2.gz LXULFRBGUJFMTJ-NEWSRXKRSA-N 2 2 392.544 0.546 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000501645660 1194215563 /nfs/dbraw/zinc/21/55/63/1194215563.db2.gz LXULFRBGUJFMTJ-QRQLOZEOSA-N 2 2 392.544 0.546 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000501645660 1194215565 /nfs/dbraw/zinc/21/55/65/1194215565.db2.gz LXULFRBGUJFMTJ-QRQLOZEOSA-N 2 2 392.544 0.546 20 0 GCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420355422 1194223928 /nfs/dbraw/zinc/22/39/28/1194223928.db2.gz FANFWQFAXOWQOY-INIZCTEOSA-N 2 2 382.530 0.483 20 0 GCADLP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000420352171 1194224108 /nfs/dbraw/zinc/22/41/08/1194224108.db2.gz YWNFETCENBQBRE-ZFWWWQNUSA-N 2 2 378.498 0.620 20 0 GCADLP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000420352171 1194224112 /nfs/dbraw/zinc/22/41/12/1194224112.db2.gz YWNFETCENBQBRE-ZFWWWQNUSA-N 2 2 378.498 0.620 20 0 GCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000420353237 1194224149 /nfs/dbraw/zinc/22/41/49/1194224149.db2.gz BLEXXXKBLMFFQS-HKUYNNGSSA-N 2 2 397.541 0.864 20 0 GCADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000420353237 1194224152 /nfs/dbraw/zinc/22/41/52/1194224152.db2.gz BLEXXXKBLMFFQS-HKUYNNGSSA-N 2 2 397.541 0.864 20 0 GCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000420389149 1194225800 /nfs/dbraw/zinc/22/58/00/1194225800.db2.gz NOYCNKQFVLDSPG-QGZVFWFLSA-N 2 2 396.557 0.758 20 0 GCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000420389149 1194225802 /nfs/dbraw/zinc/22/58/02/1194225802.db2.gz NOYCNKQFVLDSPG-QGZVFWFLSA-N 2 2 396.557 0.758 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000420408181 1194229392 /nfs/dbraw/zinc/22/93/92/1194229392.db2.gz PDKXLQVDXWTWCS-LPHOPBHVSA-N 2 2 388.512 0.692 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000420408181 1194229396 /nfs/dbraw/zinc/22/93/96/1194229396.db2.gz PDKXLQVDXWTWCS-LPHOPBHVSA-N 2 2 388.512 0.692 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000420625339 1194249680 /nfs/dbraw/zinc/24/96/80/1194249680.db2.gz LBKFWYAQQZNDSJ-UHFFFAOYSA-N 2 2 398.548 0.217 20 0 GCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000420918427 1194274791 /nfs/dbraw/zinc/27/47/91/1194274791.db2.gz WDOQLGKNWSGHGS-LJQANCHMSA-N 2 2 388.512 0.688 20 0 GCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000420918427 1194274796 /nfs/dbraw/zinc/27/47/96/1194274796.db2.gz WDOQLGKNWSGHGS-LJQANCHMSA-N 2 2 388.512 0.688 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCN(C)CC1 ZINC000421249667 1194317160 /nfs/dbraw/zinc/31/71/60/1194317160.db2.gz MLLFZNRAXALBOB-ZWKOTPCHSA-N 2 2 381.565 0.316 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+]1CCN(C)CC1 ZINC000421249667 1194317167 /nfs/dbraw/zinc/31/71/67/1194317167.db2.gz MLLFZNRAXALBOB-ZWKOTPCHSA-N 2 2 381.565 0.316 20 0 GCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000549953595 1194327306 /nfs/dbraw/zinc/32/73/06/1194327306.db2.gz NSISELYQHRQYAN-IRXDYDNUSA-N 2 2 392.544 0.879 20 0 GCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000549953595 1194327309 /nfs/dbraw/zinc/32/73/09/1194327309.db2.gz NSISELYQHRQYAN-IRXDYDNUSA-N 2 2 392.544 0.879 20 0 GCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000502609444 1194340406 /nfs/dbraw/zinc/34/04/06/1194340406.db2.gz JDOOJZPVVYHJCJ-UHFFFAOYSA-N 2 2 383.537 0.150 20 0 GCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000502836082 1194361638 /nfs/dbraw/zinc/36/16/38/1194361638.db2.gz NFQHVXFIODXYEU-MOPGFXCFSA-N 2 2 388.512 0.639 20 0 GCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000422105285 1194387076 /nfs/dbraw/zinc/38/70/76/1194387076.db2.gz PWGDBFYAEZDGNT-MRXNPFEDSA-N 2 2 378.542 0.987 20 0 GCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000422105285 1194387078 /nfs/dbraw/zinc/38/70/78/1194387078.db2.gz PWGDBFYAEZDGNT-MRXNPFEDSA-N 2 2 378.542 0.987 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000422129144 1194390977 /nfs/dbraw/zinc/39/09/77/1194390977.db2.gz IFBDDPDCQNREMS-UHFFFAOYSA-N 2 2 398.548 0.171 20 0 GCADLP C[C@@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1=CC[N@H+](C)CC1 ZINC000272968013 1194525416 /nfs/dbraw/zinc/52/54/16/1194525416.db2.gz OCXDIKRYPBCKTM-CQSZACIVSA-N 2 2 384.488 0.845 20 0 GCADLP C[C@@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1=CC[N@@H+](C)CC1 ZINC000272968013 1194525421 /nfs/dbraw/zinc/52/54/21/1194525421.db2.gz OCXDIKRYPBCKTM-CQSZACIVSA-N 2 2 384.488 0.845 20 0 GCADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273571295 1194572840 /nfs/dbraw/zinc/57/28/40/1194572840.db2.gz YCALXNNAYGRASW-UHFFFAOYSA-N 2 2 388.512 0.790 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000422256802 1194594861 /nfs/dbraw/zinc/59/48/61/1194594861.db2.gz GHIINVGTVRJPHR-DLBZAZTESA-N 2 2 398.548 0.029 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000422256802 1194594864 /nfs/dbraw/zinc/59/48/64/1194594864.db2.gz GHIINVGTVRJPHR-DLBZAZTESA-N 2 2 398.548 0.029 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422331293 1194618118 /nfs/dbraw/zinc/61/81/18/1194618118.db2.gz XAAWZMQULQRSPV-KRWDZBQOSA-N 2 2 398.548 0.173 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422331293 1194618121 /nfs/dbraw/zinc/61/81/21/1194618121.db2.gz XAAWZMQULQRSPV-KRWDZBQOSA-N 2 2 398.548 0.173 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000422372456 1194625193 /nfs/dbraw/zinc/62/51/93/1194625193.db2.gz CISLIZKTBZRYCJ-QGZVFWFLSA-N 2 2 376.501 0.414 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000422372456 1194625195 /nfs/dbraw/zinc/62/51/95/1194625195.db2.gz CISLIZKTBZRYCJ-QGZVFWFLSA-N 2 2 376.501 0.414 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000503316630 1194633935 /nfs/dbraw/zinc/63/39/35/1194633935.db2.gz WVUITHNACXIPEP-KRWDZBQOSA-N 2 2 391.516 0.808 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000422436614 1194644877 /nfs/dbraw/zinc/64/48/77/1194644877.db2.gz WKOBDCONERQONI-KRWDZBQOSA-N 2 2 398.548 0.029 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000422436614 1194644878 /nfs/dbraw/zinc/64/48/78/1194644878.db2.gz WKOBDCONERQONI-KRWDZBQOSA-N 2 2 398.548 0.029 20 0 GCADLP COCC1(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000422454540 1194649264 /nfs/dbraw/zinc/64/92/64/1194649264.db2.gz QFKJYVYNNQLUNK-UHFFFAOYSA-N 2 2 382.549 0.794 20 0 GCADLP COCC1(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000422454540 1194649267 /nfs/dbraw/zinc/64/92/67/1194649267.db2.gz QFKJYVYNNQLUNK-UHFFFAOYSA-N 2 2 382.549 0.794 20 0 GCADLP CO[C@@](C)([C@@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000422536548 1194665026 /nfs/dbraw/zinc/66/50/26/1194665026.db2.gz XPGLLYUUNXQCOX-QRWLVFNGSA-N 2 2 382.549 0.791 20 0 GCADLP CO[C@@](C)([C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000422536548 1194665029 /nfs/dbraw/zinc/66/50/29/1194665029.db2.gz XPGLLYUUNXQCOX-QRWLVFNGSA-N 2 2 382.549 0.791 20 0 GCADLP CC[C@@H](NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422709217 1194691174 /nfs/dbraw/zinc/69/11/74/1194691174.db2.gz KBHCACHCZCKOTN-SJORKVTESA-N 2 2 381.546 0.654 20 0 GCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000422867405 1194704154 /nfs/dbraw/zinc/70/41/54/1194704154.db2.gz SCCIUXZNMQBDTN-QFBILLFUSA-N 2 2 397.541 0.705 20 0 GCADLP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)N1CCCS1(=O)=O ZINC000503659785 1194704709 /nfs/dbraw/zinc/70/47/09/1194704709.db2.gz SRMPDSYCXYWLNH-KRWDZBQOSA-N 2 2 388.578 0.531 20 0 GCADLP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)N1CCCS1(=O)=O ZINC000503659785 1194704712 /nfs/dbraw/zinc/70/47/12/1194704712.db2.gz SRMPDSYCXYWLNH-KRWDZBQOSA-N 2 2 388.578 0.531 20 0 GCADLP O=C1CCc2cc(OC[C@H](O)C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)ccc2N1 ZINC000422905799 1194706456 /nfs/dbraw/zinc/70/64/56/1194706456.db2.gz SVEBSZSFKJSEIZ-MOXGXCLJSA-N 2 2 375.469 0.668 20 0 GCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000423030676 1194720312 /nfs/dbraw/zinc/72/03/12/1194720312.db2.gz UCQQXHURFFOBQL-IBGZPJMESA-N 2 2 388.512 0.858 20 0 GCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000423030676 1194720314 /nfs/dbraw/zinc/72/03/14/1194720314.db2.gz UCQQXHURFFOBQL-IBGZPJMESA-N 2 2 388.512 0.858 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000423077861 1194725854 /nfs/dbraw/zinc/72/58/54/1194725854.db2.gz NBBBLTKEGMRBIU-QGZVFWFLSA-N 2 2 397.564 0.221 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000423077861 1194725856 /nfs/dbraw/zinc/72/58/56/1194725856.db2.gz NBBBLTKEGMRBIU-QGZVFWFLSA-N 2 2 397.564 0.221 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423128167 1194729362 /nfs/dbraw/zinc/72/93/62/1194729362.db2.gz KLIMGLWXVBVWHZ-JQHSSLGASA-N 3 2 379.549 0.057 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423128167 1194729363 /nfs/dbraw/zinc/72/93/63/1194729363.db2.gz KLIMGLWXVBVWHZ-JQHSSLGASA-N 3 2 379.549 0.057 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000423263734 1194742715 /nfs/dbraw/zinc/74/27/15/1194742715.db2.gz XQTYJUBEPAKPAM-YJBOKZPZSA-N 2 2 390.484 0.087 20 0 GCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423404809 1194754575 /nfs/dbraw/zinc/75/45/75/1194754575.db2.gz XTFMUGGDXGNJJB-UHFFFAOYSA-N 2 2 387.528 0.477 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423497988 1194759673 /nfs/dbraw/zinc/75/96/73/1194759673.db2.gz AUWRMCGUFMPEKK-CGTJXYLNSA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423497988 1194759676 /nfs/dbraw/zinc/75/96/76/1194759676.db2.gz AUWRMCGUFMPEKK-CGTJXYLNSA-N 3 2 379.549 0.342 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423528519 1194761217 /nfs/dbraw/zinc/76/12/17/1194761217.db2.gz NKDDLLNERRLJBB-RTBURBONSA-N 3 2 395.592 0.850 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423528519 1194761219 /nfs/dbraw/zinc/76/12/19/1194761219.db2.gz NKDDLLNERRLJBB-RTBURBONSA-N 3 2 395.592 0.850 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529114 1194761366 /nfs/dbraw/zinc/76/13/66/1194761366.db2.gz NXHHKHLZCJFOQD-NEWSRXKRSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529114 1194761368 /nfs/dbraw/zinc/76/13/68/1194761368.db2.gz NXHHKHLZCJFOQD-NEWSRXKRSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529118 1194761566 /nfs/dbraw/zinc/76/15/66/1194761566.db2.gz NXHHKHLZCJFOQD-UHOSZYNNSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529118 1194761567 /nfs/dbraw/zinc/76/15/67/1194761567.db2.gz NXHHKHLZCJFOQD-UHOSZYNNSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529120 1194761586 /nfs/dbraw/zinc/76/15/86/1194761586.db2.gz NXHHKHLZCJFOQD-YTQUADARSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529120 1194761587 /nfs/dbraw/zinc/76/15/87/1194761587.db2.gz NXHHKHLZCJFOQD-YTQUADARSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523050 1194763091 /nfs/dbraw/zinc/76/30/91/1194763091.db2.gz MVTNZEJIROWCBW-WBVHZDCISA-N 3 2 384.546 0.556 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423612294 1194773422 /nfs/dbraw/zinc/77/34/22/1194773422.db2.gz PIPHHKKABHCRMX-AZUAARDMSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000423612294 1194773424 /nfs/dbraw/zinc/77/34/24/1194773424.db2.gz PIPHHKKABHCRMX-AZUAARDMSA-N 2 2 399.539 0.225 20 0 GCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423699066 1194783447 /nfs/dbraw/zinc/78/34/47/1194783447.db2.gz OWSVDKUDAKNACM-SFHVURJKSA-N 2 2 386.496 0.722 20 0 GCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000423758313 1194792139 /nfs/dbraw/zinc/79/21/39/1194792139.db2.gz MZFVZXBNSRLNPG-ZACQAIPSSA-N 2 2 388.516 0.786 20 0 GCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000423758313 1194792140 /nfs/dbraw/zinc/79/21/40/1194792140.db2.gz MZFVZXBNSRLNPG-ZACQAIPSSA-N 2 2 388.516 0.786 20 0 GCADLP CC(C)[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@H](C)[NH3+] ZINC000423780310 1194793239 /nfs/dbraw/zinc/79/32/39/1194793239.db2.gz VXZKZXMIRVVRIC-QAPCUYQASA-N 2 2 376.505 0.581 20 0 GCADLP CC(C)[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@H](C)[NH3+] ZINC000423780310 1194793241 /nfs/dbraw/zinc/79/32/41/1194793241.db2.gz VXZKZXMIRVVRIC-QAPCUYQASA-N 2 2 376.505 0.581 20 0 GCADLP CS(=O)(=O)NC1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000637883567 1194807313 /nfs/dbraw/zinc/80/73/13/1194807313.db2.gz PJILSEKYPAZINE-UHFFFAOYSA-N 2 2 397.541 0.911 20 0 GCADLP COC[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000434790398 1194870031 /nfs/dbraw/zinc/87/00/31/1194870031.db2.gz UIFXYCWQZMVYNW-VQTJNVASSA-N 2 2 391.512 0.919 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000434795503 1194870168 /nfs/dbraw/zinc/87/01/68/1194870168.db2.gz QAJHROOQKOGFBX-KRWDZBQOSA-N 2 2 377.489 0.076 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000434795503 1194870170 /nfs/dbraw/zinc/87/01/70/1194870170.db2.gz QAJHROOQKOGFBX-KRWDZBQOSA-N 2 2 377.489 0.076 20 0 GCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000514663891 1194891926 /nfs/dbraw/zinc/89/19/26/1194891926.db2.gz OEDYXSVSGGDKKQ-QZTJIDSGSA-N 2 2 387.528 0.511 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)nc(C(C)C)[nH+]1 ZINC000514824955 1194915640 /nfs/dbraw/zinc/91/56/40/1194915640.db2.gz KLJSRFNOXAIUQQ-IYBDPMFKSA-N 2 2 386.500 0.235 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000514925714 1194928603 /nfs/dbraw/zinc/92/86/03/1194928603.db2.gz JTPMKYGAFDUZAN-IBGZPJMESA-N 2 2 387.528 0.559 20 0 GCADLP Cn1cc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000435422512 1194930383 /nfs/dbraw/zinc/93/03/83/1194930383.db2.gz ONQRZESYNHBDPJ-AWEZNQCLSA-N 2 2 375.498 0.685 20 0 GCADLP Cn1cc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000435422512 1194930385 /nfs/dbraw/zinc/93/03/85/1194930385.db2.gz ONQRZESYNHBDPJ-AWEZNQCLSA-N 2 2 375.498 0.685 20 0 GCADLP C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435616028 1194947416 /nfs/dbraw/zinc/94/74/16/1194947416.db2.gz QZZAQSKJHKJDON-IBGZPJMESA-N 2 2 388.512 0.849 20 0 GCADLP C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435616028 1194947418 /nfs/dbraw/zinc/94/74/18/1194947418.db2.gz QZZAQSKJHKJDON-IBGZPJMESA-N 2 2 388.512 0.849 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000425395909 1194949637 /nfs/dbraw/zinc/94/96/37/1194949637.db2.gz YJDDRUZKOSSQHP-UHFFFAOYSA-N 2 2 380.533 0.642 20 0 GCADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436059604 1194982921 /nfs/dbraw/zinc/98/29/21/1194982921.db2.gz BOISWWVXVUDHLL-KRWDZBQOSA-N 2 2 375.473 0.903 20 0 GCADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436059604 1194982922 /nfs/dbraw/zinc/98/29/22/1194982922.db2.gz BOISWWVXVUDHLL-KRWDZBQOSA-N 2 2 375.473 0.903 20 0 GCADLP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436062145 1194983034 /nfs/dbraw/zinc/98/30/34/1194983034.db2.gz VGSAYVSHNJMTHQ-HNNXBMFYSA-N 2 2 383.514 0.788 20 0 GCADLP CS(=O)(=O)c1ccc(OCC[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436062145 1194983036 /nfs/dbraw/zinc/98/30/36/1194983036.db2.gz VGSAYVSHNJMTHQ-HNNXBMFYSA-N 2 2 383.514 0.788 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000436058128 1194983054 /nfs/dbraw/zinc/98/30/54/1194983054.db2.gz KBWRXZPJCFHVGY-IBGZPJMESA-N 2 2 398.511 0.808 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000436058128 1194983055 /nfs/dbraw/zinc/98/30/55/1194983055.db2.gz KBWRXZPJCFHVGY-IBGZPJMESA-N 2 2 398.511 0.808 20 0 GCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436064631 1194983337 /nfs/dbraw/zinc/98/33/37/1194983337.db2.gz ZXHYVXGAHQJYHJ-PMPSAXMXSA-N 2 2 381.521 0.710 20 0 GCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436064631 1194983339 /nfs/dbraw/zinc/98/33/39/1194983339.db2.gz ZXHYVXGAHQJYHJ-PMPSAXMXSA-N 2 2 381.521 0.710 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436063277 1194983606 /nfs/dbraw/zinc/98/36/06/1194983606.db2.gz KLUAOSDGSBOIJP-MRXNPFEDSA-N 2 2 382.530 0.756 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436063277 1194983608 /nfs/dbraw/zinc/98/36/08/1194983608.db2.gz KLUAOSDGSBOIJP-MRXNPFEDSA-N 2 2 382.530 0.756 20 0 GCADLP c1cn([C@@H]2CCC[NH+](CC3(C[N@@H+]4CCC[C@@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503870 1194994221 /nfs/dbraw/zinc/99/42/21/1194994221.db2.gz JXPGWVWNLNNOCU-QZTJIDSGSA-N 2 2 386.504 0.860 20 0 GCADLP c1cn([C@@H]2CCC[NH+](CC3(C[N@H+]4CCC[C@@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503870 1194994223 /nfs/dbraw/zinc/99/42/23/1194994223.db2.gz JXPGWVWNLNNOCU-QZTJIDSGSA-N 2 2 386.504 0.860 20 0 GCADLP Cc1nnc([C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000516114322 1195022650 /nfs/dbraw/zinc/02/26/50/1195022650.db2.gz DWUATIKZXZVIRH-LBPRGKRZSA-N 2 2 382.534 0.508 20 0 GCADLP Cc1nnc([C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000516114322 1195022655 /nfs/dbraw/zinc/02/26/55/1195022655.db2.gz DWUATIKZXZVIRH-LBPRGKRZSA-N 2 2 382.534 0.508 20 0 GCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333697759 1195034735 /nfs/dbraw/zinc/03/47/35/1195034735.db2.gz DJGASXNOWMOWLZ-AEFFLSMTSA-N 2 2 378.517 0.443 20 0 GCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333697759 1195034738 /nfs/dbraw/zinc/03/47/38/1195034738.db2.gz DJGASXNOWMOWLZ-AEFFLSMTSA-N 2 2 378.517 0.443 20 0 GCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1 ZINC000414898406 1195069089 /nfs/dbraw/zinc/06/90/89/1195069089.db2.gz AAJISOJPDNSKJZ-OAHLLOKOSA-N 2 2 390.484 0.830 20 0 GCADLP Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000516935828 1195114568 /nfs/dbraw/zinc/11/45/68/1195114568.db2.gz KJCKUOFTHSCYPI-UHFFFAOYSA-N 2 2 395.529 0.326 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000437478903 1195115186 /nfs/dbraw/zinc/11/51/86/1195115186.db2.gz ZOJKXGOHISJMFB-UHFFFAOYSA-N 2 2 379.505 1.395 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000437478903 1195115189 /nfs/dbraw/zinc/11/51/89/1195115189.db2.gz ZOJKXGOHISJMFB-UHFFFAOYSA-N 2 2 379.505 1.395 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000517021695 1195125402 /nfs/dbraw/zinc/12/54/02/1195125402.db2.gz PVUQSEPDJBYTHX-OKZBNKHCSA-N 2 2 382.549 0.935 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000517021695 1195125403 /nfs/dbraw/zinc/12/54/03/1195125403.db2.gz PVUQSEPDJBYTHX-OKZBNKHCSA-N 2 2 382.549 0.935 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000425886471 1195152147 /nfs/dbraw/zinc/15/21/47/1195152147.db2.gz MMZXJIXYPPJLKB-UHFFFAOYSA-N 2 2 379.505 0.657 20 0 GCADLP Cc1cc(N2CCN(C(=O)CN3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000517245094 1195162545 /nfs/dbraw/zinc/16/25/45/1195162545.db2.gz RWKFABDSZNEZQW-IRXDYDNUSA-N 2 2 390.532 0.164 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000414937503 1195231510 /nfs/dbraw/zinc/23/15/10/1195231510.db2.gz XRUWAPPMMPNXAG-MRXNPFEDSA-N 2 2 389.500 0.405 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000426201751 1195261369 /nfs/dbraw/zinc/26/13/69/1195261369.db2.gz BOCZACPNUMBFSU-HZPDHXFCSA-N 2 2 387.488 0.247 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000518561301 1195303621 /nfs/dbraw/zinc/30/36/21/1195303621.db2.gz KRRAOIVGBLPCPN-UHFFFAOYSA-N 3 2 393.576 0.463 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000297767980 1195345846 /nfs/dbraw/zinc/34/58/46/1195345846.db2.gz JKKJVDXZHIYBND-HNNXBMFYSA-N 2 2 379.505 0.344 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000297767980 1195345851 /nfs/dbraw/zinc/34/58/51/1195345851.db2.gz JKKJVDXZHIYBND-HNNXBMFYSA-N 2 2 379.505 0.344 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000297968656 1195353406 /nfs/dbraw/zinc/35/34/06/1195353406.db2.gz XLZQOEJGAMTDKJ-UHFFFAOYSA-N 2 2 380.489 0.351 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000297968656 1195353411 /nfs/dbraw/zinc/35/34/11/1195353411.db2.gz XLZQOEJGAMTDKJ-UHFFFAOYSA-N 2 2 380.489 0.351 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000519189476 1195378444 /nfs/dbraw/zinc/37/84/44/1195378444.db2.gz BNBJVNUCQOQSGI-SFHVURJKSA-N 2 2 398.548 0.029 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000519189476 1195378446 /nfs/dbraw/zinc/37/84/46/1195378446.db2.gz BNBJVNUCQOQSGI-SFHVURJKSA-N 2 2 398.548 0.029 20 0 GCADLP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCn4c[nH+]cc4C3)CC2)C[C@H](C)O1 ZINC000299129104 1195391173 /nfs/dbraw/zinc/39/11/73/1195391173.db2.gz MCGHUEXUJIHIPM-HOTGVXAUSA-N 2 2 389.500 0.573 20 0 GCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000440264282 1195397183 /nfs/dbraw/zinc/39/71/83/1195397183.db2.gz DZBJCXXIJCJDKJ-AWEZNQCLSA-N 2 2 375.473 0.678 20 0 GCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000440264282 1195397188 /nfs/dbraw/zinc/39/71/88/1195397188.db2.gz DZBJCXXIJCJDKJ-AWEZNQCLSA-N 2 2 375.473 0.678 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000550096141 1195435426 /nfs/dbraw/zinc/43/54/26/1195435426.db2.gz VCDWZOFZLYGICB-IRXDYDNUSA-N 2 2 377.489 0.347 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000550096141 1195435429 /nfs/dbraw/zinc/43/54/29/1195435429.db2.gz VCDWZOFZLYGICB-IRXDYDNUSA-N 2 2 377.489 0.347 20 0 GCADLP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000550103345 1195436514 /nfs/dbraw/zinc/43/65/14/1195436514.db2.gz JWORWMHTMPZIOD-UHFFFAOYSA-N 2 2 382.549 0.794 20 0 GCADLP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000550103345 1195436516 /nfs/dbraw/zinc/43/65/16/1195436516.db2.gz JWORWMHTMPZIOD-UHFFFAOYSA-N 2 2 382.549 0.794 20 0 GCADLP C[C@H](Cc1ccncc1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000507119876 1195495079 /nfs/dbraw/zinc/49/50/79/1195495079.db2.gz AHJWGHMKDRDDCV-MRXNPFEDSA-N 2 2 375.517 0.613 20 0 GCADLP C[C@H](Cc1ccncc1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000507119876 1195495081 /nfs/dbraw/zinc/49/50/81/1195495081.db2.gz AHJWGHMKDRDDCV-MRXNPFEDSA-N 2 2 375.517 0.613 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000550286092 1195518891 /nfs/dbraw/zinc/51/88/91/1195518891.db2.gz DVXPMFGNEFPMNZ-OAHLLOKOSA-N 2 2 376.505 0.862 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)n2)CC1 ZINC000427333399 1195528688 /nfs/dbraw/zinc/52/86/88/1195528688.db2.gz YSJBUJWOAWCNKL-HNNXBMFYSA-N 2 2 397.483 0.878 20 0 GCADLP CC(C)[NH+](CCN(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000507557163 1195531079 /nfs/dbraw/zinc/53/10/79/1195531079.db2.gz RPHWXOVZTBFNAG-SFHVURJKSA-N 2 2 382.549 0.744 20 0 GCADLP COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000440546140 1195562518 /nfs/dbraw/zinc/56/25/18/1195562518.db2.gz WPKKXMPUFDMGDL-FQEVSTJZSA-N 2 2 377.485 0.889 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000519700568 1195563943 /nfs/dbraw/zinc/56/39/43/1195563943.db2.gz AQBKKOIICFMZMH-SQNIBIBYSA-N 2 2 382.549 0.791 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000519700568 1195563946 /nfs/dbraw/zinc/56/39/46/1195563946.db2.gz AQBKKOIICFMZMH-SQNIBIBYSA-N 2 2 382.549 0.791 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000415468710 1195567424 /nfs/dbraw/zinc/56/74/24/1195567424.db2.gz WRIDMMIYKZPXSG-GOSISDBHSA-N 2 2 375.517 0.862 20 0 GCADLP CO[C@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H](C)C1 ZINC000441380350 1195629351 /nfs/dbraw/zinc/62/93/51/1195629351.db2.gz QPUSFWSBGQVIBV-CABCVRRESA-N 2 2 387.488 0.511 20 0 GCADLP CO[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H](C)C1 ZINC000441380350 1195629353 /nfs/dbraw/zinc/62/93/53/1195629353.db2.gz QPUSFWSBGQVIBV-CABCVRRESA-N 2 2 387.488 0.511 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000550355972 1195642628 /nfs/dbraw/zinc/64/26/28/1195642628.db2.gz KODUYLWWXOLDJF-DLBZAZTESA-N 2 2 384.565 0.942 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000550358796 1195643736 /nfs/dbraw/zinc/64/37/36/1195643736.db2.gz FJGKTBXVSPGFNT-QZTJIDSGSA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000550358796 1195643738 /nfs/dbraw/zinc/64/37/38/1195643738.db2.gz FJGKTBXVSPGFNT-QZTJIDSGSA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550362269 1195645505 /nfs/dbraw/zinc/64/55/05/1195645505.db2.gz LDXRQAQFQNZTJP-LZLYRXPVSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550362269 1195645507 /nfs/dbraw/zinc/64/55/07/1195645507.db2.gz LDXRQAQFQNZTJP-LZLYRXPVSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000550380843 1195648502 /nfs/dbraw/zinc/64/85/02/1195648502.db2.gz BCISTMWMUYWCLI-RTBURBONSA-N 2 2 395.592 0.611 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+]1CCN(C)CC1 ZINC000550382365 1195650891 /nfs/dbraw/zinc/65/08/91/1195650891.db2.gz SGMUIWRVAXHCLD-QZTJIDSGSA-N 2 2 381.565 0.365 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000550383560 1195651427 /nfs/dbraw/zinc/65/14/27/1195651427.db2.gz MIVOLAJOZNYYEU-RTBURBONSA-N 2 2 393.576 0.461 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)n2)CC1 ZINC000427566798 1195658063 /nfs/dbraw/zinc/65/80/63/1195658063.db2.gz SJBTTZAUKLSBIL-UHFFFAOYSA-N 2 2 385.472 1.218 20 0 GCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[C@H]1CCC[NH2+]C1 ZINC000417367251 1195665783 /nfs/dbraw/zinc/66/57/83/1195665783.db2.gz LYCSFKXANXYIDM-QGZVFWFLSA-N 2 2 388.516 0.809 20 0 GCADLP CCOC1CC([NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000328807624 1195666169 /nfs/dbraw/zinc/66/61/69/1195666169.db2.gz DOTGPVZQEVYSLX-KLAILNCOSA-N 2 2 375.517 0.990 20 0 GCADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N1CCOCC1 ZINC000328843804 1195670494 /nfs/dbraw/zinc/67/04/94/1195670494.db2.gz PRCSBBYHLPHCRR-QZTJIDSGSA-N 2 2 388.578 0.832 20 0 GCADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N1CCOCC1 ZINC000328843804 1195670496 /nfs/dbraw/zinc/67/04/96/1195670496.db2.gz PRCSBBYHLPHCRR-QZTJIDSGSA-N 2 2 388.578 0.832 20 0 GCADLP CC1CC[NH+](CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000520436031 1195675800 /nfs/dbraw/zinc/67/58/00/1195675800.db2.gz UFDKQIGQSDUIDW-QZTJIDSGSA-N 2 2 380.533 0.594 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000328954922 1195678358 /nfs/dbraw/zinc/67/83/58/1195678358.db2.gz OPNZYYVHJOKSDI-LNLFQRSKSA-N 2 2 379.549 0.023 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000328954922 1195678360 /nfs/dbraw/zinc/67/83/60/1195678360.db2.gz OPNZYYVHJOKSDI-LNLFQRSKSA-N 2 2 379.549 0.023 20 0 GCADLP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000520514653 1195778190 /nfs/dbraw/zinc/77/81/90/1195778190.db2.gz SVHGWBQFKSJQQR-SQNIBIBYSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000520514653 1195778194 /nfs/dbraw/zinc/77/81/94/1195778194.db2.gz SVHGWBQFKSJQQR-SQNIBIBYSA-N 2 2 380.533 0.546 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@H]1C[NH2+]CCO1)CC2 ZINC000417667810 1195804799 /nfs/dbraw/zinc/80/47/99/1195804799.db2.gz JCSPMATWECQDMZ-MRXNPFEDSA-N 2 2 378.473 0.350 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@H]1C[NH2+]CCO1)CC2 ZINC000417667810 1195804804 /nfs/dbraw/zinc/80/48/04/1195804804.db2.gz JCSPMATWECQDMZ-MRXNPFEDSA-N 2 2 378.473 0.350 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N1CCO[C@@H](C[NH3+])C1)CC2 ZINC000417670985 1195806978 /nfs/dbraw/zinc/80/69/78/1195806978.db2.gz PJKDFNPQAWNBKA-INIZCTEOSA-N 2 2 378.473 0.431 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N1CCO[C@@H](C[NH3+])C1)CC2 ZINC000417670985 1195806982 /nfs/dbraw/zinc/80/69/82/1195806982.db2.gz PJKDFNPQAWNBKA-INIZCTEOSA-N 2 2 378.473 0.431 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000521216907 1195979250 /nfs/dbraw/zinc/97/92/50/1195979250.db2.gz QQKIGCPMEJGRSL-ROUUACIJSA-N 2 2 395.935 0.916 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000521216907 1195979253 /nfs/dbraw/zinc/97/92/53/1195979253.db2.gz QQKIGCPMEJGRSL-ROUUACIJSA-N 2 2 395.935 0.916 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000521218181 1195979304 /nfs/dbraw/zinc/97/93/04/1195979304.db2.gz CMRNYIULROGXRL-ZWKOTPCHSA-N 2 2 387.528 0.429 20 0 GCADLP CC(C)[C@@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000442366088 1195981449 /nfs/dbraw/zinc/98/14/49/1195981449.db2.gz AIHRBCHEQHAIOA-GOSISDBHSA-N 2 2 382.597 0.584 20 0 GCADLP CC(C)[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000442366088 1195981451 /nfs/dbraw/zinc/98/14/51/1195981451.db2.gz AIHRBCHEQHAIOA-GOSISDBHSA-N 2 2 382.597 0.584 20 0 GCADLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000442759087 1196000707 /nfs/dbraw/zinc/00/07/07/1196000707.db2.gz KDQNELRPMRDHRM-QWHCGFSZSA-N 2 2 384.502 0.553 20 0 GCADLP COc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000442759087 1196000709 /nfs/dbraw/zinc/00/07/09/1196000709.db2.gz KDQNELRPMRDHRM-QWHCGFSZSA-N 2 2 384.502 0.553 20 0 GCADLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000442759085 1196000830 /nfs/dbraw/zinc/00/08/30/1196000830.db2.gz KDQNELRPMRDHRM-CHWSQXEVSA-N 2 2 384.502 0.553 20 0 GCADLP COc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000442759085 1196000834 /nfs/dbraw/zinc/00/08/34/1196000834.db2.gz KDQNELRPMRDHRM-CHWSQXEVSA-N 2 2 384.502 0.553 20 0 GCADLP CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000442778522 1196002990 /nfs/dbraw/zinc/00/29/90/1196002990.db2.gz KQJRLZTUOZXMQH-RDJZCZTQSA-N 2 2 396.532 0.317 20 0 GCADLP CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000442778518 1196003003 /nfs/dbraw/zinc/00/30/03/1196003003.db2.gz KQJRLZTUOZXMQH-NVXWUHKLSA-N 2 2 396.532 0.317 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000521922735 1196025232 /nfs/dbraw/zinc/02/52/32/1196025232.db2.gz OXEOCDHOIYCKSA-GOSISDBHSA-N 2 2 384.484 0.888 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000521922735 1196025235 /nfs/dbraw/zinc/02/52/35/1196025235.db2.gz OXEOCDHOIYCKSA-GOSISDBHSA-N 2 2 384.484 0.888 20 0 GCADLP CN(C(=O)[C@@H]1CCCCC[NH2+]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000522059837 1196041058 /nfs/dbraw/zinc/04/10/58/1196041058.db2.gz CDYPVPUMXFHQQS-SFHVURJKSA-N 3 2 379.549 0.215 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(OC)nn1 ZINC001087622366 1196052976 /nfs/dbraw/zinc/05/29/76/1196052976.db2.gz HWPPBNCWFDKVLJ-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccc(OC)nn1 ZINC001087622366 1196052978 /nfs/dbraw/zinc/05/29/78/1196052978.db2.gz HWPPBNCWFDKVLJ-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(OC)nn1 ZINC001087622366 1196052979 /nfs/dbraw/zinc/05/29/79/1196052979.db2.gz HWPPBNCWFDKVLJ-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(OC)nn1 ZINC001087622366 1196052982 /nfs/dbraw/zinc/05/29/82/1196052982.db2.gz HWPPBNCWFDKVLJ-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000429675790 1196054043 /nfs/dbraw/zinc/05/40/43/1196054043.db2.gz OTGSBDTWJFGAQX-OALUTQOASA-N 2 2 393.576 0.273 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2sccc2c1=O ZINC000522191784 1196058405 /nfs/dbraw/zinc/05/84/05/1196058405.db2.gz KIUSYAJETYPZHC-UHFFFAOYSA-N 2 2 377.514 0.942 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2sccc2c1=O ZINC000522191784 1196058409 /nfs/dbraw/zinc/05/84/09/1196058409.db2.gz KIUSYAJETYPZHC-UHFFFAOYSA-N 2 2 377.514 0.942 20 0 GCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000522255626 1196066679 /nfs/dbraw/zinc/06/66/79/1196066679.db2.gz IRFPDVIDZAFOEY-OAQYLSRUSA-N 2 2 388.512 0.294 20 0 GCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000522255626 1196066682 /nfs/dbraw/zinc/06/66/82/1196066682.db2.gz IRFPDVIDZAFOEY-OAQYLSRUSA-N 2 2 388.512 0.294 20 0 GCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000522255626 1196066684 /nfs/dbraw/zinc/06/66/84/1196066684.db2.gz IRFPDVIDZAFOEY-OAQYLSRUSA-N 2 2 388.512 0.294 20 0 GCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000522255626 1196066686 /nfs/dbraw/zinc/06/66/86/1196066686.db2.gz IRFPDVIDZAFOEY-OAQYLSRUSA-N 2 2 388.512 0.294 20 0 GCADLP CCNC(=O)CN1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000051758748 1196090328 /nfs/dbraw/zinc/09/03/28/1196090328.db2.gz YZLJKAVEIRYJMQ-UHFFFAOYSA-N 2 2 394.564 0.008 20 0 GCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550573885 1196090775 /nfs/dbraw/zinc/09/07/75/1196090775.db2.gz AKAOZGCCPHJQER-IRXDYDNUSA-N 2 2 382.549 0.839 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550580757 1196093291 /nfs/dbraw/zinc/09/32/91/1196093291.db2.gz BLHTYTVIJHEIOR-IAGOWNOFSA-N 2 2 382.549 0.791 20 0 GCADLP CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895684503 1196108545 /nfs/dbraw/zinc/10/85/45/1196108545.db2.gz DBOIPMRJWZJCQH-KRWDZBQOSA-N 2 2 379.505 0.483 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895706913 1196108711 /nfs/dbraw/zinc/10/87/11/1196108711.db2.gz PFRMRMVOXYRDTA-IBGZPJMESA-N 2 2 376.476 0.785 20 0 GCADLP O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895767432 1196111745 /nfs/dbraw/zinc/11/17/45/1196111745.db2.gz YRKLXKCAUBLQAV-IBGZPJMESA-N 2 2 389.496 0.782 20 0 GCADLP OCCOCC1(O)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000895829486 1196114504 /nfs/dbraw/zinc/11/45/04/1196114504.db2.gz SBUGTSQLPAVBJB-UHFFFAOYSA-N 2 2 394.512 0.733 20 0 GCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895892555 1196117238 /nfs/dbraw/zinc/11/72/38/1196117238.db2.gz IHDZZUKRSKZFPM-LJQANCHMSA-N 2 2 389.496 0.735 20 0 GCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895944045 1196119492 /nfs/dbraw/zinc/11/94/92/1196119492.db2.gz MNZPKLDXUJENOM-IBGZPJMESA-N 2 2 389.496 0.735 20 0 GCADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000896209496 1196133420 /nfs/dbraw/zinc/13/34/20/1196133420.db2.gz UCMNNEMJHQYFFS-UHFFFAOYSA-N 2 2 384.521 0.548 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC[NH+]3CCC(O)CC3)C2)cc1 ZINC000896229791 1196135938 /nfs/dbraw/zinc/13/59/38/1196135938.db2.gz FQIVVBRATMKMQQ-FQEVSTJZSA-N 2 2 390.528 0.952 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC[NH+]3CCC(O)CC3)C2)cc1 ZINC000896229791 1196135940 /nfs/dbraw/zinc/13/59/40/1196135940.db2.gz FQIVVBRATMKMQQ-FQEVSTJZSA-N 2 2 390.528 0.952 20 0 GCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969762 1196140263 /nfs/dbraw/zinc/14/02/63/1196140263.db2.gz MTKKMJCIPRTXRV-ZJPYXAASSA-N 2 2 385.512 0.680 20 0 GCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969762 1196140265 /nfs/dbraw/zinc/14/02/65/1196140265.db2.gz MTKKMJCIPRTXRV-ZJPYXAASSA-N 2 2 385.512 0.680 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnc5n4CCOC5)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971876 1196142742 /nfs/dbraw/zinc/14/27/42/1196142742.db2.gz XVABRVCCZZFHRQ-WCXIOVBPSA-N 2 2 388.516 0.429 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnc5n4CCOC5)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971876 1196142745 /nfs/dbraw/zinc/14/27/45/1196142745.db2.gz XVABRVCCZZFHRQ-WCXIOVBPSA-N 2 2 388.516 0.429 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc5n4CCOC5)CC[C@@H]3C2)CC[NH+]1C ZINC001087971876 1196142746 /nfs/dbraw/zinc/14/27/46/1196142746.db2.gz XVABRVCCZZFHRQ-WCXIOVBPSA-N 2 2 388.516 0.429 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnc5n4CCOC5)CC[C@@H]3C2)CC[NH+]1C ZINC001087971876 1196142749 /nfs/dbraw/zinc/14/27/49/1196142749.db2.gz XVABRVCCZZFHRQ-WCXIOVBPSA-N 2 2 388.516 0.429 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828683 1196144510 /nfs/dbraw/zinc/14/45/10/1196144510.db2.gz XMMNPGAVEHLUFE-STQMWFEESA-N 2 2 380.493 0.353 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828683 1196144513 /nfs/dbraw/zinc/14/45/13/1196144513.db2.gz XMMNPGAVEHLUFE-STQMWFEESA-N 2 2 380.493 0.353 20 0 GCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000474788002 1196150903 /nfs/dbraw/zinc/15/09/03/1196150903.db2.gz CWUUHNQGVVPDHC-IBGZPJMESA-N 2 2 388.560 0.736 20 0 GCADLP CN(C(=O)CCc1cscn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329107720 1196164426 /nfs/dbraw/zinc/16/44/26/1196164426.db2.gz DZLGUHMNLLKBQX-UHFFFAOYSA-N 2 2 393.557 0.773 20 0 GCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329135506 1196167113 /nfs/dbraw/zinc/16/71/13/1196167113.db2.gz GJTDAXBTPYVNAY-LJQANCHMSA-N 3 2 393.576 0.558 20 0 GCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329135506 1196167115 /nfs/dbraw/zinc/16/71/15/1196167115.db2.gz GJTDAXBTPYVNAY-LJQANCHMSA-N 3 2 393.576 0.558 20 0 GCADLP CN(C(=O)CC[C@@H]1CCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329138382 1196167324 /nfs/dbraw/zinc/16/73/24/1196167324.db2.gz DQVOEKDNTMKWOS-SFHVURJKSA-N 2 2 380.533 0.642 20 0 GCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329374388 1196189819 /nfs/dbraw/zinc/18/98/19/1196189819.db2.gz LBJQSQYLHLOMFO-FGTMMUONSA-N 2 2 378.517 0.252 20 0 GCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329474408 1196199593 /nfs/dbraw/zinc/19/95/93/1196199593.db2.gz NNVDVLAHHPCTIM-SQNIBIBYSA-N 2 2 378.517 0.252 20 0 GCADLP CC[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329487012 1196200192 /nfs/dbraw/zinc/20/01/92/1196200192.db2.gz GMAPRCKGABVZEY-IEBWSBKVSA-N 2 2 394.560 0.888 20 0 GCADLP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)c2)CC1 ZINC000896806092 1196208558 /nfs/dbraw/zinc/20/85/58/1196208558.db2.gz MTHYTJDLYPSEJD-IBGZPJMESA-N 2 2 386.496 0.662 20 0 GCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011957 1196217484 /nfs/dbraw/zinc/21/74/84/1196217484.db2.gz LYMLJGIUAFUHPV-LVQVYYBASA-N 2 2 377.489 0.631 20 0 GCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011957 1196217488 /nfs/dbraw/zinc/21/74/88/1196217488.db2.gz LYMLJGIUAFUHPV-LVQVYYBASA-N 2 2 377.489 0.631 20 0 GCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011957 1196217491 /nfs/dbraw/zinc/21/74/91/1196217491.db2.gz LYMLJGIUAFUHPV-LVQVYYBASA-N 2 2 377.489 0.631 20 0 GCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011957 1196217495 /nfs/dbraw/zinc/21/74/95/1196217495.db2.gz LYMLJGIUAFUHPV-LVQVYYBASA-N 2 2 377.489 0.631 20 0 GCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000330156551 1196256744 /nfs/dbraw/zinc/25/67/44/1196256744.db2.gz OTTYXGDWFVRVOV-SFHVURJKSA-N 2 2 392.544 0.644 20 0 GCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000281030358 1196272181 /nfs/dbraw/zinc/27/21/81/1196272181.db2.gz HUAYFHOTBQUPGO-UHFFFAOYSA-N 2 2 385.468 0.735 20 0 GCADLP CN(CC1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000103512443 1196377260 /nfs/dbraw/zinc/37/72/60/1196377260.db2.gz RYUSPTAXKXPVSW-UHFFFAOYSA-N 2 2 375.521 0.582 20 0 GCADLP CO[C@@](C)([C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643422491 1196415152 /nfs/dbraw/zinc/41/51/52/1196415152.db2.gz MWMAWHHZPYMNAG-YWMUFLPLSA-N 2 2 394.560 0.933 20 0 GCADLP CO[C@@](C)([C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643422491 1196415154 /nfs/dbraw/zinc/41/51/54/1196415154.db2.gz MWMAWHHZPYMNAG-YWMUFLPLSA-N 2 2 394.560 0.933 20 0 GCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)n[nH]1 ZINC000897295426 1196450428 /nfs/dbraw/zinc/45/04/28/1196450428.db2.gz VEHQDAXQWKCAJT-QGZVFWFLSA-N 2 2 377.489 0.476 20 0 GCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)n[nH]1 ZINC000897295426 1196450430 /nfs/dbraw/zinc/45/04/30/1196450430.db2.gz VEHQDAXQWKCAJT-QGZVFWFLSA-N 2 2 377.489 0.476 20 0 GCADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106981 1196479470 /nfs/dbraw/zinc/47/94/70/1196479470.db2.gz MCMDYIXQTFMYMJ-SFHVURJKSA-N 2 2 387.484 0.379 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000523208971 1196502563 /nfs/dbraw/zinc/50/25/63/1196502563.db2.gz SMRSZSBKSWNDGD-MRXNPFEDSA-N 2 2 383.537 0.339 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000523208971 1196502566 /nfs/dbraw/zinc/50/25/66/1196502566.db2.gz SMRSZSBKSWNDGD-MRXNPFEDSA-N 2 2 383.537 0.339 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000523208971 1196502567 /nfs/dbraw/zinc/50/25/67/1196502567.db2.gz SMRSZSBKSWNDGD-MRXNPFEDSA-N 2 2 383.537 0.339 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000523208971 1196502569 /nfs/dbraw/zinc/50/25/69/1196502569.db2.gz SMRSZSBKSWNDGD-MRXNPFEDSA-N 2 2 383.537 0.339 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000925167495 1196567428 /nfs/dbraw/zinc/56/74/28/1196567428.db2.gz QJODQJAZAQGXHT-SJORKVTESA-N 2 2 386.562 0.556 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925167495 1196567431 /nfs/dbraw/zinc/56/74/31/1196567431.db2.gz QJODQJAZAQGXHT-SJORKVTESA-N 2 2 386.562 0.556 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000446256617 1196629003 /nfs/dbraw/zinc/62/90/03/1196629003.db2.gz BNNFCNVYDSPYJH-CDXJDZJCSA-N 2 2 392.544 0.676 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000446256617 1196629006 /nfs/dbraw/zinc/62/90/06/1196629006.db2.gz BNNFCNVYDSPYJH-CDXJDZJCSA-N 2 2 392.544 0.676 20 0 GCADLP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000446453825 1196642663 /nfs/dbraw/zinc/64/26/63/1196642663.db2.gz FXMXAWYFNPHXHH-KRWDZBQOSA-N 2 2 385.468 0.864 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+]Cc3cn(C)nn3)cc2)CC1 ZINC000525709678 1196704092 /nfs/dbraw/zinc/70/40/92/1196704092.db2.gz BDIDDWMIHHTDEI-UHFFFAOYSA-N 2 2 386.500 0.690 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000525863461 1196719572 /nfs/dbraw/zinc/71/95/72/1196719572.db2.gz LAJYDGKBLKNDDG-UHFFFAOYSA-N 2 2 399.499 0.690 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000525863461 1196719575 /nfs/dbraw/zinc/71/95/75/1196719575.db2.gz LAJYDGKBLKNDDG-UHFFFAOYSA-N 2 2 399.499 0.690 20 0 GCADLP Cc1cc(N2CCN(C(=O)C[NH2+][C@H](CO)[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000447907686 1196756421 /nfs/dbraw/zinc/75/64/21/1196756421.db2.gz ALGUWRASAFCATE-SJORKVTESA-N 2 2 391.516 0.687 20 0 GCADLP C[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)[C@H]1C1CC1 ZINC000528454600 1196861140 /nfs/dbraw/zinc/86/11/40/1196861140.db2.gz YMBVXAUUFIBFHT-CWFSZBLJSA-N 2 2 376.545 0.975 20 0 GCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000528677331 1196877806 /nfs/dbraw/zinc/87/78/06/1196877806.db2.gz ZHGKFNDTEXGMTC-OAHLLOKOSA-N 2 2 391.472 0.193 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749952 1196885604 /nfs/dbraw/zinc/88/56/04/1196885604.db2.gz DZPMQMTVXSRSEL-AHRSYUTCSA-N 2 2 376.501 0.432 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749952 1196885611 /nfs/dbraw/zinc/88/56/11/1196885611.db2.gz DZPMQMTVXSRSEL-AHRSYUTCSA-N 2 2 376.501 0.432 20 0 GCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CCO2)CC1 ZINC000625315479 1196908970 /nfs/dbraw/zinc/90/89/70/1196908970.db2.gz ONPXJULWQGKLPJ-NJYVYQBISA-N 2 2 386.540 0.807 20 0 GCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)CCO2)CC1 ZINC000625315479 1196908973 /nfs/dbraw/zinc/90/89/73/1196908973.db2.gz ONPXJULWQGKLPJ-NJYVYQBISA-N 2 2 386.540 0.807 20 0 GCADLP O=C(C[NH+]1CCC(NC(=O)NC[C@@H]2COCC[NH2+]2)CC1)Nc1ccccc1 ZINC000529288810 1196912093 /nfs/dbraw/zinc/91/20/93/1196912093.db2.gz NIBRXFZMZZLDOM-QGZVFWFLSA-N 2 2 375.473 0.377 20 0 GCADLP C[NH+](C)CCOc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccn1 ZINC000529754027 1196940081 /nfs/dbraw/zinc/94/00/81/1196940081.db2.gz URABFOXQQVRDHX-FQEVSTJZSA-N 2 2 392.500 0.368 20 0 GCADLP C[NH+](C)CCOc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ccn1 ZINC000529754027 1196940085 /nfs/dbraw/zinc/94/00/85/1196940085.db2.gz URABFOXQQVRDHX-FQEVSTJZSA-N 2 2 392.500 0.368 20 0 GCADLP C[NH+](C)CCOc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ccn1 ZINC000529754028 1196940403 /nfs/dbraw/zinc/94/04/03/1196940403.db2.gz URABFOXQQVRDHX-HXUWFJFHSA-N 2 2 392.500 0.368 20 0 GCADLP C[NH+](C)CCOc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ccn1 ZINC000529754028 1196940405 /nfs/dbraw/zinc/94/04/05/1196940405.db2.gz URABFOXQQVRDHX-HXUWFJFHSA-N 2 2 392.500 0.368 20 0 GCADLP O=C(N1CC[NH+](CCn2cncn2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530675041 1197007574 /nfs/dbraw/zinc/00/75/74/1197007574.db2.gz NGRRZTNZGJMEDT-HXUWFJFHSA-N 2 2 384.484 0.059 20 0 GCADLP O=C(N1CC[NH+](CCn2cncn2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530675041 1197007578 /nfs/dbraw/zinc/00/75/78/1197007578.db2.gz NGRRZTNZGJMEDT-HXUWFJFHSA-N 2 2 384.484 0.059 20 0 GCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000451753420 1197013366 /nfs/dbraw/zinc/01/33/66/1197013366.db2.gz BFEFZVOMZKTNHJ-ATZDWAIDSA-N 2 2 377.485 0.215 20 0 GCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000451753420 1197013371 /nfs/dbraw/zinc/01/33/71/1197013371.db2.gz BFEFZVOMZKTNHJ-ATZDWAIDSA-N 2 2 377.485 0.215 20 0 GCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530835463 1197019974 /nfs/dbraw/zinc/01/99/74/1197019974.db2.gz VKPDRMDWDVAHIJ-UTKZUKDTSA-N 2 2 389.496 0.719 20 0 GCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530835463 1197019978 /nfs/dbraw/zinc/01/99/78/1197019978.db2.gz VKPDRMDWDVAHIJ-UTKZUKDTSA-N 2 2 389.496 0.719 20 0 GCADLP COC[C@@]1(CO)CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000451930344 1197024225 /nfs/dbraw/zinc/02/42/25/1197024225.db2.gz QRLGDTVXZBGYFJ-IBGZPJMESA-N 2 2 383.533 0.469 20 0 GCADLP COC[C@@]1(CO)CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000451930344 1197024230 /nfs/dbraw/zinc/02/42/30/1197024230.db2.gz QRLGDTVXZBGYFJ-IBGZPJMESA-N 2 2 383.533 0.469 20 0 GCADLP C[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000530936821 1197028892 /nfs/dbraw/zinc/02/88/92/1197028892.db2.gz WTMRSUODLNVCPW-INIZCTEOSA-N 2 2 390.532 0.220 20 0 GCADLP CC(=O)NCC(=O)N1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639892662 1197089048 /nfs/dbraw/zinc/08/90/48/1197089048.db2.gz XLPSSCDDKXJJTO-OAQYLSRUSA-N 2 2 388.512 0.294 20 0 GCADLP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639892662 1197089053 /nfs/dbraw/zinc/08/90/53/1197089053.db2.gz XLPSSCDDKXJJTO-OAQYLSRUSA-N 2 2 388.512 0.294 20 0 GCADLP CC(=O)NCC(=O)N1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639892662 1197089056 /nfs/dbraw/zinc/08/90/56/1197089056.db2.gz XLPSSCDDKXJJTO-OAQYLSRUSA-N 2 2 388.512 0.294 20 0 GCADLP CC(=O)NCC(=O)N1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639892662 1197089059 /nfs/dbraw/zinc/08/90/59/1197089059.db2.gz XLPSSCDDKXJJTO-OAQYLSRUSA-N 2 2 388.512 0.294 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000986133595 1197144379 /nfs/dbraw/zinc/14/43/79/1197144379.db2.gz LBEWODPJPBZRJH-NRSFXHEJSA-N 2 2 389.500 0.218 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000986133595 1197144382 /nfs/dbraw/zinc/14/43/82/1197144382.db2.gz LBEWODPJPBZRJH-NRSFXHEJSA-N 2 2 389.500 0.218 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000170743351 1197154694 /nfs/dbraw/zinc/15/46/94/1197154694.db2.gz WGQNDZZYMHMIQF-MRXNPFEDSA-N 2 2 398.515 0.182 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2)CC1 ZINC000453920051 1197172663 /nfs/dbraw/zinc/17/26/63/1197172663.db2.gz FNBMOQSKBPTFRZ-AZUAARDMSA-N 2 2 399.539 0.925 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)cc2)CC1 ZINC000453920051 1197172665 /nfs/dbraw/zinc/17/26/65/1197172665.db2.gz FNBMOQSKBPTFRZ-AZUAARDMSA-N 2 2 399.539 0.925 20 0 GCADLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000174132819 1197179718 /nfs/dbraw/zinc/17/97/18/1197179718.db2.gz BEXNRWKZLDJMJX-ZWKOTPCHSA-N 2 2 387.532 0.867 20 0 GCADLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000174132819 1197179723 /nfs/dbraw/zinc/17/97/23/1197179723.db2.gz BEXNRWKZLDJMJX-ZWKOTPCHSA-N 2 2 387.532 0.867 20 0 GCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000175813499 1197185689 /nfs/dbraw/zinc/18/56/89/1197185689.db2.gz WLKMSGDMMNJGOS-PMACEKPBSA-N 2 2 394.608 0.681 20 0 GCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000175813499 1197185694 /nfs/dbraw/zinc/18/56/94/1197185694.db2.gz WLKMSGDMMNJGOS-PMACEKPBSA-N 2 2 394.608 0.681 20 0 GCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000176506999 1197186918 /nfs/dbraw/zinc/18/69/18/1197186918.db2.gz AXNAXKFMXUOOHC-SJORKVTESA-N 2 2 386.562 0.764 20 0 GCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000176506999 1197186920 /nfs/dbraw/zinc/18/69/20/1197186920.db2.gz AXNAXKFMXUOOHC-SJORKVTESA-N 2 2 386.562 0.764 20 0 GCADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000179464403 1197198076 /nfs/dbraw/zinc/19/80/76/1197198076.db2.gz AJABIKWWGVTVRG-NLWGTHIKSA-N 2 2 376.501 0.814 20 0 GCADLP C[N@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000179464403 1197198078 /nfs/dbraw/zinc/19/80/78/1197198078.db2.gz AJABIKWWGVTVRG-NLWGTHIKSA-N 2 2 376.501 0.814 20 0 GCADLP O=C1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)CN1CC[NH+]1CCOCC1 ZINC000181043776 1197203389 /nfs/dbraw/zinc/20/33/89/1197203389.db2.gz DQXYTQDZPDAAIV-INIZCTEOSA-N 2 2 379.530 0.635 20 0 GCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC[NH+]2CCO[C@H](C)C2)CC1 ZINC000729605850 1197261176 /nfs/dbraw/zinc/26/11/76/1197261176.db2.gz MNJCJMVCEWWBAR-CEXWTWQISA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCC[NH+]2CCO[C@H](C)C2)CC1 ZINC000729605850 1197261177 /nfs/dbraw/zinc/26/11/77/1197261177.db2.gz MNJCJMVCEWWBAR-CEXWTWQISA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000729605850 1197261179 /nfs/dbraw/zinc/26/11/79/1197261179.db2.gz MNJCJMVCEWWBAR-CEXWTWQISA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000729605850 1197261180 /nfs/dbraw/zinc/26/11/80/1197261180.db2.gz MNJCJMVCEWWBAR-CEXWTWQISA-N 2 2 381.565 0.907 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)NCC[N@@H+]3CCOC(C)(C)C3)ccn2)CC1 ZINC000171007895 1197309574 /nfs/dbraw/zinc/30/95/74/1197309574.db2.gz VNWJXNMFACBOBP-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)NCC[N@H+]3CCOC(C)(C)C3)ccn2)CC1 ZINC000171007895 1197309579 /nfs/dbraw/zinc/30/95/79/1197309579.db2.gz VNWJXNMFACBOBP-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171106026 1197312142 /nfs/dbraw/zinc/31/21/42/1197312142.db2.gz XMVNZNAUYZWSBY-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171106026 1197312145 /nfs/dbraw/zinc/31/21/45/1197312145.db2.gz XMVNZNAUYZWSBY-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897463606 1197339032 /nfs/dbraw/zinc/33/90/32/1197339032.db2.gz IBQNMXOCNZJGRL-IBGZPJMESA-N 2 2 399.495 0.969 20 0 GCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000897467326 1197340304 /nfs/dbraw/zinc/34/03/04/1197340304.db2.gz AHGUCFVVGHPWRV-IEBWSBKVSA-N 2 2 387.528 0.524 20 0 GCADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000897467326 1197340308 /nfs/dbraw/zinc/34/03/08/1197340308.db2.gz AHGUCFVVGHPWRV-IEBWSBKVSA-N 2 2 387.528 0.524 20 0 GCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000123633817 1197351294 /nfs/dbraw/zinc/35/12/94/1197351294.db2.gz GEJFTVVVVQYYGO-AWEZNQCLSA-N 2 2 385.472 0.122 20 0 GCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000123633817 1197351296 /nfs/dbraw/zinc/35/12/96/1197351296.db2.gz GEJFTVVVVQYYGO-AWEZNQCLSA-N 2 2 385.472 0.122 20 0 GCADLP COc1ccc2c(c1)C[C@@H](n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O)C2 ZINC001168258768 1197355600 /nfs/dbraw/zinc/35/56/00/1197355600.db2.gz GECWRDOWNIKLQA-SNRMKQJTSA-N 2 2 397.479 0.578 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000126296548 1197356865 /nfs/dbraw/zinc/35/68/65/1197356865.db2.gz UUBOWSILGTXWGD-CVEARBPZSA-N 2 2 394.541 0.648 20 0 GCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1C ZINC000536553540 1197359861 /nfs/dbraw/zinc/35/98/61/1197359861.db2.gz BMVUQXBPMJEURF-IRXDYDNUSA-N 2 2 375.521 0.723 20 0 GCADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1C ZINC000536553540 1197359864 /nfs/dbraw/zinc/35/98/64/1197359864.db2.gz BMVUQXBPMJEURF-IRXDYDNUSA-N 2 2 375.521 0.723 20 0 GCADLP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000131266352 1197376033 /nfs/dbraw/zinc/37/60/33/1197376033.db2.gz ALUMXIQBFPMIHZ-HNNXBMFYSA-N 2 2 385.534 0.072 20 0 GCADLP CN(CCCNC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000131266352 1197376035 /nfs/dbraw/zinc/37/60/35/1197376035.db2.gz ALUMXIQBFPMIHZ-HNNXBMFYSA-N 2 2 385.534 0.072 20 0 GCADLP CCNC(=O)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000132202955 1197379961 /nfs/dbraw/zinc/37/99/61/1197379961.db2.gz RRAYKAIVGMHUCS-MRXNPFEDSA-N 2 2 380.537 0.648 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000193619954 1197396944 /nfs/dbraw/zinc/39/69/44/1197396944.db2.gz PRJJQPIYFKXEMG-ZIAGYGMSSA-N 2 2 378.439 0.928 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000193619954 1197396948 /nfs/dbraw/zinc/39/69/48/1197396948.db2.gz PRJJQPIYFKXEMG-ZIAGYGMSSA-N 2 2 378.439 0.928 20 0 GCADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684260 1197397433 /nfs/dbraw/zinc/39/74/33/1197397433.db2.gz NEBMZJOZGQIPPN-LSDHHAIUSA-N 2 2 379.457 0.521 20 0 GCADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684260 1197397435 /nfs/dbraw/zinc/39/74/35/1197397435.db2.gz NEBMZJOZGQIPPN-LSDHHAIUSA-N 2 2 379.457 0.521 20 0 GCADLP COCC[NH+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000194605712 1197399891 /nfs/dbraw/zinc/39/98/91/1197399891.db2.gz QNQSSKZLNDOLML-UHFFFAOYSA-N 2 2 382.549 0.402 20 0 GCADLP NC(=O)NC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000194893073 1197400372 /nfs/dbraw/zinc/40/03/72/1197400372.db2.gz CBFGOZSCMHAHLB-KRWDZBQOSA-N 2 2 388.516 0.891 20 0 GCADLP NC(=O)NC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000194893073 1197400373 /nfs/dbraw/zinc/40/03/73/1197400373.db2.gz CBFGOZSCMHAHLB-KRWDZBQOSA-N 2 2 388.516 0.891 20 0 GCADLP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000195258494 1197400654 /nfs/dbraw/zinc/40/06/54/1197400654.db2.gz KUTFTGZVACHXGE-LJQANCHMSA-N 2 2 388.512 0.545 20 0 GCADLP CC[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000105162854 1197402966 /nfs/dbraw/zinc/40/29/66/1197402966.db2.gz YDIZCYALJAXQOL-QGZVFWFLSA-N 2 2 375.521 0.630 20 0 GCADLP CC[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000105162854 1197402969 /nfs/dbraw/zinc/40/29/69/1197402969.db2.gz YDIZCYALJAXQOL-QGZVFWFLSA-N 2 2 375.521 0.630 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000246038204 1197443584 /nfs/dbraw/zinc/44/35/84/1197443584.db2.gz BBLGYWZRVACYJM-RBUKOAKNSA-N 2 2 387.528 0.773 20 0 GCADLP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000533297928 1197444289 /nfs/dbraw/zinc/44/42/89/1197444289.db2.gz NYGIXIGEAMZUKT-UHFFFAOYSA-N 2 2 398.529 0.441 20 0 GCADLP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000533297928 1197444292 /nfs/dbraw/zinc/44/42/92/1197444292.db2.gz NYGIXIGEAMZUKT-UHFFFAOYSA-N 2 2 398.529 0.441 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000066568160 1197467592 /nfs/dbraw/zinc/46/75/92/1197467592.db2.gz FQFAXXSGQWAUHQ-KRWDZBQOSA-N 2 2 382.549 0.794 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000069475378 1197468470 /nfs/dbraw/zinc/46/84/70/1197468470.db2.gz PATMTYZHQOUWAO-QGZVFWFLSA-N 2 2 386.562 0.765 20 0 GCADLP O=C1NC[C@H]2C[NH+](Cc3ccc(C[N@@H+]4CCN5C(=O)NC[C@H]5C4)cc3)CCN12 ZINC000247071620 1197475066 /nfs/dbraw/zinc/47/50/66/1197475066.db2.gz PTJHOVAKPTXJEG-ROUUACIJSA-N 2 2 384.484 0.105 20 0 GCADLP O=C1NC[C@H]2C[NH+](Cc3ccc(C[N@H+]4CCN5C(=O)NC[C@H]5C4)cc3)CCN12 ZINC000247071620 1197475067 /nfs/dbraw/zinc/47/50/67/1197475067.db2.gz PTJHOVAKPTXJEG-ROUUACIJSA-N 2 2 384.484 0.105 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000897528758 1197492045 /nfs/dbraw/zinc/49/20/45/1197492045.db2.gz BKOPIDXOJINNID-IBGZPJMESA-N 2 2 399.495 0.968 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666805607 1197506530 /nfs/dbraw/zinc/50/65/30/1197506530.db2.gz UPHPHMODFRWGNJ-INIZCTEOSA-N 2 2 396.495 0.806 20 0 GCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000261743855 1197513025 /nfs/dbraw/zinc/51/30/25/1197513025.db2.gz KYMQXCULVOPWEM-KRWDZBQOSA-N 2 2 388.541 0.772 20 0 GCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000261766028 1197513976 /nfs/dbraw/zinc/51/39/76/1197513976.db2.gz NLMXFPWOWHGYLQ-IBGZPJMESA-N 2 2 398.511 0.837 20 0 GCADLP Cc1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1C ZINC000262039956 1197523151 /nfs/dbraw/zinc/52/31/51/1197523151.db2.gz HONVUKCEFMRFAJ-UHFFFAOYSA-N 2 2 394.541 0.432 20 0 GCADLP COC(=O)[C@]1(NC[C@@H](O)C[NH+]2CCOCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611795872 1197542154 /nfs/dbraw/zinc/54/21/54/1197542154.db2.gz MNLJPVVVWZHYPL-CTNGQTDRSA-N 2 2 391.512 0.477 20 0 GCADLP COC(=O)[C@]1(NC[C@@H](O)C[NH+]2CCOCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611795872 1197542157 /nfs/dbraw/zinc/54/21/57/1197542157.db2.gz MNLJPVVVWZHYPL-CTNGQTDRSA-N 2 2 391.512 0.477 20 0 GCADLP CO[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C12CCC2 ZINC000459782471 1197587622 /nfs/dbraw/zinc/58/76/22/1197587622.db2.gz ZAEGNWWBAUIORD-HOTGVXAUSA-N 2 2 399.499 0.559 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000999711759 1198968502 /nfs/dbraw/zinc/96/85/02/1198968502.db2.gz NEFNQUDTRDPJBA-OWSLCNJRSA-N 2 2 378.517 0.297 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000999711759 1198968505 /nfs/dbraw/zinc/96/85/05/1198968505.db2.gz NEFNQUDTRDPJBA-OWSLCNJRSA-N 2 2 378.517 0.297 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000265717766 1198986090 /nfs/dbraw/zinc/98/60/90/1198986090.db2.gz FQJJDMHXTAJAEG-WOJBJXKFSA-N 2 2 390.528 0.950 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000265717766 1198986095 /nfs/dbraw/zinc/98/60/95/1198986095.db2.gz FQJJDMHXTAJAEG-WOJBJXKFSA-N 2 2 390.528 0.950 20 0 GCADLP C[C@H](NC(=O)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000672008578 1199000393 /nfs/dbraw/zinc/00/03/93/1199000393.db2.gz KLDDFTFYUBNUPP-YJBOKZPZSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@H](NC(=O)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000672008578 1199000400 /nfs/dbraw/zinc/00/04/00/1199000400.db2.gz KLDDFTFYUBNUPP-YJBOKZPZSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672010979 1199002438 /nfs/dbraw/zinc/00/24/38/1199002438.db2.gz PTDNIILFCCCPOR-INIZCTEOSA-N 3 2 381.565 0.317 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672010979 1199002445 /nfs/dbraw/zinc/00/24/45/1199002445.db2.gz PTDNIILFCCCPOR-INIZCTEOSA-N 3 2 381.565 0.317 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672014137 1199004637 /nfs/dbraw/zinc/00/46/37/1199004637.db2.gz KMOYKJXKLFITGD-SZMVWBNQSA-N 2 2 380.533 0.593 20 0 GCADLP CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672029516 1199015840 /nfs/dbraw/zinc/01/58/40/1199015840.db2.gz JUAZWGMBCNXNAR-RYQLBKOJSA-N 2 2 380.533 0.545 20 0 GCADLP CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672029516 1199015848 /nfs/dbraw/zinc/01/58/48/1199015848.db2.gz JUAZWGMBCNXNAR-RYQLBKOJSA-N 2 2 380.533 0.545 20 0 GCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671365677 1199056807 /nfs/dbraw/zinc/05/68/07/1199056807.db2.gz XVRLHTMCCOFQKZ-AEFFLSMTSA-N 3 2 381.565 0.460 20 0 GCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671365677 1199056809 /nfs/dbraw/zinc/05/68/09/1199056809.db2.gz XVRLHTMCCOFQKZ-AEFFLSMTSA-N 3 2 381.565 0.460 20 0 GCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000672065789 1199057203 /nfs/dbraw/zinc/05/72/03/1199057203.db2.gz YPDZEDNOABVFEB-XYJFISCASA-N 2 2 392.500 0.676 20 0 GCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000672065789 1199057208 /nfs/dbraw/zinc/05/72/08/1199057208.db2.gz YPDZEDNOABVFEB-XYJFISCASA-N 2 2 392.500 0.676 20 0 GCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672098390 1199089139 /nfs/dbraw/zinc/08/91/39/1199089139.db2.gz SAAYQESKPLMSLX-SJLPKXTDSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672098390 1199089142 /nfs/dbraw/zinc/08/91/42/1199089142.db2.gz SAAYQESKPLMSLX-SJLPKXTDSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672098390 1199089147 /nfs/dbraw/zinc/08/91/47/1199089147.db2.gz SAAYQESKPLMSLX-SJLPKXTDSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672098390 1199089152 /nfs/dbraw/zinc/08/91/52/1199089152.db2.gz SAAYQESKPLMSLX-SJLPKXTDSA-N 3 2 381.565 0.460 20 0 GCADLP CC(C)[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000109393212 1199096548 /nfs/dbraw/zinc/09/65/48/1199096548.db2.gz JABWTGAOPOUYCZ-GOSISDBHSA-N 2 2 396.580 0.110 20 0 GCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000075292388 1199162091 /nfs/dbraw/zinc/16/20/91/1199162091.db2.gz VSWMBZSTXNQLQU-UHFFFAOYSA-N 2 2 375.517 0.499 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672305374 1199197863 /nfs/dbraw/zinc/19/78/63/1199197863.db2.gz MIANWHXWXPFHDT-PKOBYXMFSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672305374 1199197866 /nfs/dbraw/zinc/19/78/66/1199197866.db2.gz MIANWHXWXPFHDT-PKOBYXMFSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672305374 1199197871 /nfs/dbraw/zinc/19/78/71/1199197871.db2.gz MIANWHXWXPFHDT-PKOBYXMFSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672305374 1199197872 /nfs/dbraw/zinc/19/78/72/1199197872.db2.gz MIANWHXWXPFHDT-PKOBYXMFSA-N 3 2 391.560 0.214 20 0 GCADLP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330369 1199210234 /nfs/dbraw/zinc/21/02/34/1199210234.db2.gz YCPISBVXFUGVBU-MRXNPFEDSA-N 3 2 379.549 0.262 20 0 GCADLP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330369 1199210235 /nfs/dbraw/zinc/21/02/35/1199210235.db2.gz YCPISBVXFUGVBU-MRXNPFEDSA-N 3 2 379.549 0.262 20 0 GCADLP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330369 1199210242 /nfs/dbraw/zinc/21/02/42/1199210242.db2.gz YCPISBVXFUGVBU-MRXNPFEDSA-N 3 2 379.549 0.262 20 0 GCADLP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330369 1199210247 /nfs/dbraw/zinc/21/02/47/1199210247.db2.gz YCPISBVXFUGVBU-MRXNPFEDSA-N 3 2 379.549 0.262 20 0 GCADLP CN(C(=O)C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672329683 1199210327 /nfs/dbraw/zinc/21/03/27/1199210327.db2.gz JQRIDMYHCQFNTJ-LJQANCHMSA-N 3 2 393.576 0.604 20 0 GCADLP CN(C(=O)C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672329683 1199210331 /nfs/dbraw/zinc/21/03/31/1199210331.db2.gz JQRIDMYHCQFNTJ-LJQANCHMSA-N 3 2 393.576 0.604 20 0 GCADLP CN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672329683 1199210333 /nfs/dbraw/zinc/21/03/33/1199210333.db2.gz JQRIDMYHCQFNTJ-LJQANCHMSA-N 3 2 393.576 0.604 20 0 GCADLP CN(C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672329683 1199210338 /nfs/dbraw/zinc/21/03/38/1199210338.db2.gz JQRIDMYHCQFNTJ-LJQANCHMSA-N 3 2 393.576 0.604 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000679071816 1199211604 /nfs/dbraw/zinc/21/16/04/1199211604.db2.gz WKJCIIFYMSQKTN-OAHLLOKOSA-N 2 2 389.500 0.356 20 0 GCADLP Cc1noc(C)c1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672448879 1199236320 /nfs/dbraw/zinc/23/63/20/1199236320.db2.gz AAXINCVKTNKAKT-OAHLLOKOSA-N 2 2 377.489 0.235 20 0 GCADLP Cc1noc(C)c1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672448879 1199236325 /nfs/dbraw/zinc/23/63/25/1199236325.db2.gz AAXINCVKTNKAKT-OAHLLOKOSA-N 2 2 377.489 0.235 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000672535549 1199264084 /nfs/dbraw/zinc/26/40/84/1199264084.db2.gz MLNLBISLHRDZRD-WMLDXEAASA-N 2 2 376.505 0.224 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000672535549 1199264089 /nfs/dbraw/zinc/26/40/89/1199264089.db2.gz MLNLBISLHRDZRD-WMLDXEAASA-N 2 2 376.505 0.224 20 0 GCADLP Cn1nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000672548544 1199266973 /nfs/dbraw/zinc/26/69/73/1199266973.db2.gz PPCLPTRPWGRDAW-OAHLLOKOSA-N 2 2 398.511 0.474 20 0 GCADLP Cn1nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000672548544 1199266976 /nfs/dbraw/zinc/26/69/76/1199266976.db2.gz PPCLPTRPWGRDAW-OAHLLOKOSA-N 2 2 398.511 0.474 20 0 GCADLP Cn1nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000672548543 1199267010 /nfs/dbraw/zinc/26/70/10/1199267010.db2.gz PPCLPTRPWGRDAW-HNNXBMFYSA-N 2 2 398.511 0.474 20 0 GCADLP Cn1nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000672548543 1199267011 /nfs/dbraw/zinc/26/70/11/1199267011.db2.gz PPCLPTRPWGRDAW-HNNXBMFYSA-N 2 2 398.511 0.474 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672637521 1199287317 /nfs/dbraw/zinc/28/73/17/1199287317.db2.gz IYYOAFLQEUTMAT-DOTOQJQBSA-N 2 2 382.574 0.871 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672637521 1199287319 /nfs/dbraw/zinc/28/73/19/1199287319.db2.gz IYYOAFLQEUTMAT-DOTOQJQBSA-N 2 2 382.574 0.871 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001002832563 1199287721 /nfs/dbraw/zinc/28/77/21/1199287721.db2.gz OWPPDMVANXUMMF-ZACQAIPSSA-N 2 2 375.473 0.162 20 0 GCADLP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672638454 1199288886 /nfs/dbraw/zinc/28/88/86/1199288886.db2.gz SQAACALFNOUSKB-RYRKJORJSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672638454 1199288888 /nfs/dbraw/zinc/28/88/88/1199288888.db2.gz SQAACALFNOUSKB-RYRKJORJSA-N 2 2 380.533 0.591 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccc(O)cc4C3)C2)CC1 ZINC000672637259 1199288898 /nfs/dbraw/zinc/28/88/98/1199288898.db2.gz CIQIBMMQOOZCPO-KRWDZBQOSA-N 2 2 386.496 0.562 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccc(O)cc4C3)C2)CC1 ZINC000672637259 1199288901 /nfs/dbraw/zinc/28/89/01/1199288901.db2.gz CIQIBMMQOOZCPO-KRWDZBQOSA-N 2 2 386.496 0.562 20 0 GCADLP CC(C)C[C@@H](CCO)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638505 1199288970 /nfs/dbraw/zinc/28/89/70/1199288970.db2.gz RCUVMUQXAWXKSM-IAGOWNOFSA-N 2 2 382.549 0.432 20 0 GCADLP CC(C)C[C@@H](CCO)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638505 1199288973 /nfs/dbraw/zinc/28/89/73/1199288973.db2.gz RCUVMUQXAWXKSM-IAGOWNOFSA-N 2 2 382.549 0.432 20 0 GCADLP Cc1ncc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672638491 1199288986 /nfs/dbraw/zinc/28/89/86/1199288986.db2.gz IKCWVPDCMBNNIY-AWEZNQCLSA-N 2 2 379.530 0.695 20 0 GCADLP Cc1ncc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672638491 1199288989 /nfs/dbraw/zinc/28/89/89/1199288989.db2.gz IKCWVPDCMBNNIY-AWEZNQCLSA-N 2 2 379.530 0.695 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC(C)(C)OC(C)(C)C3)C2)CC1 ZINC000672639447 1199290501 /nfs/dbraw/zinc/29/05/01/1199290501.db2.gz COWHNCGFHFPYAE-OAHLLOKOSA-N 2 2 380.533 0.687 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC(C)(C)OC(C)(C)C3)C2)CC1 ZINC000672639447 1199290505 /nfs/dbraw/zinc/29/05/05/1199290505.db2.gz COWHNCGFHFPYAE-OAHLLOKOSA-N 2 2 380.533 0.687 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](OCC4CC4)C3)C2)CC1 ZINC000672638652 1199292324 /nfs/dbraw/zinc/29/23/24/1199292324.db2.gz UHQZSZMIYNZZQT-IEBWSBKVSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](OCC4CC4)C3)C2)CC1 ZINC000672638652 1199292334 /nfs/dbraw/zinc/29/23/34/1199292334.db2.gz UHQZSZMIYNZZQT-IEBWSBKVSA-N 2 2 392.544 0.689 20 0 GCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638153 1199292533 /nfs/dbraw/zinc/29/25/33/1199292533.db2.gz NBOWRNKHVOXNML-UHOSZYNNSA-N 3 2 391.560 0.356 20 0 GCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638153 1199292537 /nfs/dbraw/zinc/29/25/37/1199292537.db2.gz NBOWRNKHVOXNML-UHOSZYNNSA-N 3 2 391.560 0.356 20 0 GCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638153 1199292540 /nfs/dbraw/zinc/29/25/40/1199292540.db2.gz NBOWRNKHVOXNML-UHOSZYNNSA-N 3 2 391.560 0.356 20 0 GCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638153 1199292541 /nfs/dbraw/zinc/29/25/41/1199292541.db2.gz NBOWRNKHVOXNML-UHOSZYNNSA-N 3 2 391.560 0.356 20 0 GCADLP CCC1(CC)[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1OC ZINC000672638769 1199293634 /nfs/dbraw/zinc/29/36/34/1199293634.db2.gz VPUGYZDOTSBRRH-KBAYOESNSA-N 2 2 394.560 0.981 20 0 GCADLP CCC1(CC)[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1OC ZINC000672638769 1199293638 /nfs/dbraw/zinc/29/36/38/1199293638.db2.gz VPUGYZDOTSBRRH-KBAYOESNSA-N 2 2 394.560 0.981 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(C[C@@H]3CCOC3)C3CC3)C2)CC1 ZINC000672638870 1199294137 /nfs/dbraw/zinc/29/41/37/1199294137.db2.gz ZPFMXNRJIJBYEY-JKSUJKDBSA-N 2 2 378.517 0.299 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(C[C@@H]3CCOC3)C3CC3)C2)CC1 ZINC000672638870 1199294141 /nfs/dbraw/zinc/29/41/41/1199294141.db2.gz ZPFMXNRJIJBYEY-JKSUJKDBSA-N 2 2 378.517 0.299 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC34CCOCC4)C2)CC1 ZINC000672640558 1199294324 /nfs/dbraw/zinc/29/43/24/1199294324.db2.gz JZHJIBJQYOANKF-FUHWJXTLSA-N 2 2 392.544 0.737 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC34CCOCC4)C2)CC1 ZINC000672640558 1199294329 /nfs/dbraw/zinc/29/43/29/1199294329.db2.gz JZHJIBJQYOANKF-FUHWJXTLSA-N 2 2 392.544 0.737 20 0 GCADLP CCC1(CO)CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639177 1199294567 /nfs/dbraw/zinc/29/45/67/1199294567.db2.gz IPNXQEQTUYZRFW-INIZCTEOSA-N 2 2 380.533 0.282 20 0 GCADLP CCC1(CO)CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639177 1199294570 /nfs/dbraw/zinc/29/45/70/1199294570.db2.gz IPNXQEQTUYZRFW-INIZCTEOSA-N 2 2 380.533 0.282 20 0 GCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639895 1199295396 /nfs/dbraw/zinc/29/53/96/1199295396.db2.gz OKABFGUZOOYNJD-WMZOPIPTSA-N 2 2 379.549 0.070 20 0 GCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639895 1199295398 /nfs/dbraw/zinc/29/53/98/1199295398.db2.gz OKABFGUZOOYNJD-WMZOPIPTSA-N 2 2 379.549 0.070 20 0 GCADLP C[C@H](CCc1cccn1C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640107 1199295525 /nfs/dbraw/zinc/29/55/25/1199295525.db2.gz VKKZHKSNEXDQNL-SJORKVTESA-N 2 2 389.544 0.747 20 0 GCADLP C[C@H](CCc1cccn1C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640107 1199295527 /nfs/dbraw/zinc/29/55/27/1199295527.db2.gz VKKZHKSNEXDQNL-SJORKVTESA-N 2 2 389.544 0.747 20 0 GCADLP C[C@@H](CCc1cccn1C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640106 1199296234 /nfs/dbraw/zinc/29/62/34/1199296234.db2.gz VKKZHKSNEXDQNL-IRXDYDNUSA-N 2 2 389.544 0.747 20 0 GCADLP C[C@@H](CCc1cccn1C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640106 1199296236 /nfs/dbraw/zinc/29/62/36/1199296236.db2.gz VKKZHKSNEXDQNL-IRXDYDNUSA-N 2 2 389.544 0.747 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@H]43)C2)CC1 ZINC000672640266 1199296465 /nfs/dbraw/zinc/29/64/65/1199296465.db2.gz UZECEMJDZHUADM-ZIFCJYIRSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@H]43)C2)CC1 ZINC000672640266 1199296469 /nfs/dbraw/zinc/29/64/69/1199296469.db2.gz UZECEMJDZHUADM-ZIFCJYIRSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C2)CC1 ZINC000672640266 1199296471 /nfs/dbraw/zinc/29/64/71/1199296471.db2.gz UZECEMJDZHUADM-ZIFCJYIRSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C2)CC1 ZINC000672640266 1199296474 /nfs/dbraw/zinc/29/64/74/1199296474.db2.gz UZECEMJDZHUADM-ZIFCJYIRSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(OCC4CC4)CC3)C2)CC1 ZINC000672639576 1199296539 /nfs/dbraw/zinc/29/65/39/1199296539.db2.gz LYUIBLNVIMXIEF-QGZVFWFLSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(OCC4CC4)CC3)C2)CC1 ZINC000672639576 1199296544 /nfs/dbraw/zinc/29/65/44/1199296544.db2.gz LYUIBLNVIMXIEF-QGZVFWFLSA-N 2 2 392.544 0.689 20 0 GCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672639983 1199296656 /nfs/dbraw/zinc/29/66/56/1199296656.db2.gz QNGOXGDOOBQMNR-ULQDDVLXSA-N 2 2 379.549 0.212 20 0 GCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672639983 1199296661 /nfs/dbraw/zinc/29/66/61/1199296661.db2.gz QNGOXGDOOBQMNR-ULQDDVLXSA-N 2 2 379.549 0.212 20 0 GCADLP COc1cc(C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640137 1199296690 /nfs/dbraw/zinc/29/66/90/1199296690.db2.gz RPAMDCCXTHGWID-KRWDZBQOSA-N 2 2 388.512 0.905 20 0 GCADLP COc1cc(C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640137 1199296695 /nfs/dbraw/zinc/29/66/95/1199296695.db2.gz RPAMDCCXTHGWID-KRWDZBQOSA-N 2 2 388.512 0.905 20 0 GCADLP C[C@@H](CCc1cccn1C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640102 1199297015 /nfs/dbraw/zinc/29/70/15/1199297015.db2.gz VKKZHKSNEXDQNL-DLBZAZTESA-N 2 2 389.544 0.747 20 0 GCADLP C[C@@H](CCc1cccn1C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640102 1199297022 /nfs/dbraw/zinc/29/70/22/1199297022.db2.gz VKKZHKSNEXDQNL-DLBZAZTESA-N 2 2 389.544 0.747 20 0 GCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640634 1199297626 /nfs/dbraw/zinc/29/76/26/1199297626.db2.gz DYUADZDRMYOXQB-WMZOPIPTSA-N 3 2 393.576 0.460 20 0 GCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640634 1199297633 /nfs/dbraw/zinc/29/76/33/1199297633.db2.gz DYUADZDRMYOXQB-WMZOPIPTSA-N 3 2 393.576 0.460 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672640938 1199298069 /nfs/dbraw/zinc/29/80/69/1199298069.db2.gz MJNNHDCJNBYYAM-SJLPKXTDSA-N 2 2 380.533 0.593 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672640938 1199298072 /nfs/dbraw/zinc/29/80/72/1199298072.db2.gz MJNNHDCJNBYYAM-SJLPKXTDSA-N 2 2 380.533 0.593 20 0 GCADLP C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641365 1199298914 /nfs/dbraw/zinc/29/89/14/1199298914.db2.gz PQBICWVFZZVSGX-BQFCYCMXSA-N 2 2 380.533 0.423 20 0 GCADLP C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641365 1199298919 /nfs/dbraw/zinc/29/89/19/1199298919.db2.gz PQBICWVFZZVSGX-BQFCYCMXSA-N 2 2 380.533 0.423 20 0 GCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641188 1199299282 /nfs/dbraw/zinc/29/92/82/1199299282.db2.gz MVUBACAVVBULLU-QGZVFWFLSA-N 3 2 379.549 0.260 20 0 GCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641188 1199299289 /nfs/dbraw/zinc/29/92/89/1199299289.db2.gz MVUBACAVVBULLU-QGZVFWFLSA-N 3 2 379.549 0.260 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642563 1199300019 /nfs/dbraw/zinc/30/00/19/1199300019.db2.gz CQOQSDZSMXSPEP-IEBWSBKVSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642563 1199300023 /nfs/dbraw/zinc/30/00/23/1199300023.db2.gz CQOQSDZSMXSPEP-IEBWSBKVSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)CC1 ZINC000672642185 1199300106 /nfs/dbraw/zinc/30/01/06/1199300106.db2.gz YTURGDZKPAYZKG-DZJNRPSUSA-N 2 2 390.528 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)CC1 ZINC000672642185 1199300111 /nfs/dbraw/zinc/30/01/11/1199300111.db2.gz YTURGDZKPAYZKG-DZJNRPSUSA-N 2 2 390.528 0.345 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)CC1 ZINC000672642190 1199301067 /nfs/dbraw/zinc/30/10/67/1199301067.db2.gz YTURGDZKPAYZKG-OWLYRPNTSA-N 2 2 390.528 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)CC1 ZINC000672642190 1199301073 /nfs/dbraw/zinc/30/10/73/1199301073.db2.gz YTURGDZKPAYZKG-OWLYRPNTSA-N 2 2 390.528 0.345 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOC4(CCCCC4)C3)C2)CC1 ZINC000672642331 1199301463 /nfs/dbraw/zinc/30/14/63/1199301463.db2.gz GVHKXZFVVTUBGV-KRWDZBQOSA-N 2 2 392.544 0.833 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOC4(CCCCC4)C3)C2)CC1 ZINC000672642331 1199301467 /nfs/dbraw/zinc/30/14/67/1199301467.db2.gz GVHKXZFVVTUBGV-KRWDZBQOSA-N 2 2 392.544 0.833 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000672642303 1199301555 /nfs/dbraw/zinc/30/15/55/1199301555.db2.gz FOVXJYHUKABMHG-HOCLYGCPSA-N 2 2 380.533 0.733 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000672642303 1199301559 /nfs/dbraw/zinc/30/15/59/1199301559.db2.gz FOVXJYHUKABMHG-HOCLYGCPSA-N 2 2 380.533 0.733 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642566 1199301781 /nfs/dbraw/zinc/30/17/81/1199301781.db2.gz CQOQSDZSMXSPEP-PKOBYXMFSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642566 1199301785 /nfs/dbraw/zinc/30/17/85/1199301785.db2.gz CQOQSDZSMXSPEP-PKOBYXMFSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641892 1199302185 /nfs/dbraw/zinc/30/21/85/1199302185.db2.gz ZRWWMVBPXJEVTR-VQIMIIECSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641892 1199302192 /nfs/dbraw/zinc/30/21/92/1199302192.db2.gz ZRWWMVBPXJEVTR-VQIMIIECSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641892 1199302198 /nfs/dbraw/zinc/30/21/98/1199302198.db2.gz ZRWWMVBPXJEVTR-VQIMIIECSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641892 1199302206 /nfs/dbraw/zinc/30/22/06/1199302206.db2.gz ZRWWMVBPXJEVTR-VQIMIIECSA-N 3 2 391.560 0.404 20 0 GCADLP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641892 1199302212 /nfs/dbraw/zinc/30/22/12/1199302212.db2.gz ZRWWMVBPXJEVTR-VQIMIIECSA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641892 1199302219 /nfs/dbraw/zinc/30/22/19/1199302219.db2.gz ZRWWMVBPXJEVTR-VQIMIIECSA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641892 1199302225 /nfs/dbraw/zinc/30/22/25/1199302225.db2.gz ZRWWMVBPXJEVTR-VQIMIIECSA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641892 1199302231 /nfs/dbraw/zinc/30/22/31/1199302231.db2.gz ZRWWMVBPXJEVTR-VQIMIIECSA-N 2 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000672643414 1199302707 /nfs/dbraw/zinc/30/27/07/1199302707.db2.gz XNMZHIMLSGHCLQ-DZOHQFGASA-N 2 2 392.544 0.591 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000672643414 1199302710 /nfs/dbraw/zinc/30/27/10/1199302710.db2.gz XNMZHIMLSGHCLQ-DZOHQFGASA-N 2 2 392.544 0.591 20 0 GCADLP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642904 1199304964 /nfs/dbraw/zinc/30/49/64/1199304964.db2.gz JQTXBLXWQKMAIE-QZTJIDSGSA-N 3 2 393.576 0.652 20 0 GCADLP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642904 1199304967 /nfs/dbraw/zinc/30/49/67/1199304967.db2.gz JQTXBLXWQKMAIE-QZTJIDSGSA-N 3 2 393.576 0.652 20 0 GCADLP CCO[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C12CCC2 ZINC000672643001 1199305627 /nfs/dbraw/zinc/30/56/27/1199305627.db2.gz MIJOHBNJGMDRNP-RYQLBKOJSA-N 2 2 392.544 0.735 20 0 GCADLP CCO[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C12CCC2 ZINC000672643001 1199305632 /nfs/dbraw/zinc/30/56/32/1199305632.db2.gz MIJOHBNJGMDRNP-RYQLBKOJSA-N 2 2 392.544 0.735 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643053 1199306522 /nfs/dbraw/zinc/30/65/22/1199306522.db2.gz NNLLWSQBRZWBBZ-PKOBYXMFSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643053 1199306530 /nfs/dbraw/zinc/30/65/30/1199306530.db2.gz NNLLWSQBRZWBBZ-PKOBYXMFSA-N 3 2 391.560 0.358 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672655322 1199310010 /nfs/dbraw/zinc/31/00/10/1199310010.db2.gz KUZYYNZWDSOZQE-QZTJIDSGSA-N 2 2 380.533 0.690 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672655322 1199310016 /nfs/dbraw/zinc/31/00/16/1199310016.db2.gz KUZYYNZWDSOZQE-QZTJIDSGSA-N 2 2 380.533 0.690 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672655324 1199310616 /nfs/dbraw/zinc/31/06/16/1199310616.db2.gz KUZYYNZWDSOZQE-ZWKOTPCHSA-N 2 2 380.533 0.690 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672655324 1199310619 /nfs/dbraw/zinc/31/06/19/1199310619.db2.gz KUZYYNZWDSOZQE-ZWKOTPCHSA-N 2 2 380.533 0.690 20 0 GCADLP CC1(C)CN(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1CCO ZINC000672675964 1199314937 /nfs/dbraw/zinc/31/49/37/1199314937.db2.gz LOHDLXTVNVYLOR-LJQANCHMSA-N 2 2 390.528 0.986 20 0 GCADLP CC1(C)CN(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1CCO ZINC000672675964 1199314938 /nfs/dbraw/zinc/31/49/38/1199314938.db2.gz LOHDLXTVNVYLOR-LJQANCHMSA-N 2 2 390.528 0.986 20 0 GCADLP CC1(C)CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000672675964 1199314939 /nfs/dbraw/zinc/31/49/39/1199314939.db2.gz LOHDLXTVNVYLOR-LJQANCHMSA-N 2 2 390.528 0.986 20 0 GCADLP CC1(C)CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000672675964 1199314944 /nfs/dbraw/zinc/31/49/44/1199314944.db2.gz LOHDLXTVNVYLOR-LJQANCHMSA-N 2 2 390.528 0.986 20 0 GCADLP Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000672718673 1199320819 /nfs/dbraw/zinc/32/08/19/1199320819.db2.gz CTAPBNZZORZJTJ-CYBMUJFWSA-N 2 2 379.505 0.953 20 0 GCADLP Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000672718673 1199320821 /nfs/dbraw/zinc/32/08/21/1199320821.db2.gz CTAPBNZZORZJTJ-CYBMUJFWSA-N 2 2 379.505 0.953 20 0 GCADLP CN(C(=O)C(=O)NCc1ccc(F)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672824045 1199344842 /nfs/dbraw/zinc/34/48/42/1199344842.db2.gz UUSNTOUFOPDNKN-QGZVFWFLSA-N 2 2 377.464 0.464 20 0 GCADLP CN(C(=O)C(=O)NCc1ccc(F)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672824045 1199344846 /nfs/dbraw/zinc/34/48/46/1199344846.db2.gz UUSNTOUFOPDNKN-QGZVFWFLSA-N 2 2 377.464 0.464 20 0 GCADLP COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672966793 1199379913 /nfs/dbraw/zinc/37/99/13/1199379913.db2.gz AREGDSCQDICKQD-INIZCTEOSA-N 2 2 375.473 0.656 20 0 GCADLP COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672966793 1199379920 /nfs/dbraw/zinc/37/99/20/1199379920.db2.gz AREGDSCQDICKQD-INIZCTEOSA-N 2 2 375.473 0.656 20 0 GCADLP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC2)CCO1 ZINC000499640625 1199388662 /nfs/dbraw/zinc/38/86/62/1199388662.db2.gz LNBWXMYRSMMTCF-OAHLLOKOSA-N 2 2 385.468 0.662 20 0 GCADLP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC2)CCO1 ZINC000499640625 1199388668 /nfs/dbraw/zinc/38/86/68/1199388668.db2.gz LNBWXMYRSMMTCF-OAHLLOKOSA-N 2 2 385.468 0.662 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)CCCO)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673157218 1199460386 /nfs/dbraw/zinc/46/03/86/1199460386.db2.gz IDYFNFAZUVKRNB-QGZVFWFLSA-N 2 2 382.549 0.528 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)CCCO)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673157218 1199460389 /nfs/dbraw/zinc/46/03/89/1199460389.db2.gz IDYFNFAZUVKRNB-QGZVFWFLSA-N 2 2 382.549 0.528 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224134 1199487947 /nfs/dbraw/zinc/48/79/47/1199487947.db2.gz KKTCWSOXNSGCMP-AEFFLSMTSA-N 3 2 395.592 0.706 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224134 1199487951 /nfs/dbraw/zinc/48/79/51/1199487951.db2.gz KKTCWSOXNSGCMP-AEFFLSMTSA-N 3 2 395.592 0.706 20 0 GCADLP CC(C)(CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000673274931 1199511905 /nfs/dbraw/zinc/51/19/05/1199511905.db2.gz GRFSBKKTKHZRCM-QGZVFWFLSA-N 2 2 380.533 0.548 20 0 GCADLP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673299401 1199527087 /nfs/dbraw/zinc/52/70/87/1199527087.db2.gz DEZMDSFXSCXODC-MRXNPFEDSA-N 2 2 389.500 0.082 20 0 GCADLP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673299401 1199527097 /nfs/dbraw/zinc/52/70/97/1199527097.db2.gz DEZMDSFXSCXODC-MRXNPFEDSA-N 2 2 389.500 0.082 20 0 GCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673303853 1199529378 /nfs/dbraw/zinc/52/93/78/1199529378.db2.gz LBSUFDOEQXADQS-DLBZAZTESA-N 2 2 389.500 0.346 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000673326297 1199540364 /nfs/dbraw/zinc/54/03/64/1199540364.db2.gz VGNQEMUYZAHVHY-RNIPGJKVSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000673326297 1199540366 /nfs/dbraw/zinc/54/03/66/1199540366.db2.gz VGNQEMUYZAHVHY-RNIPGJKVSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000673326297 1199540369 /nfs/dbraw/zinc/54/03/69/1199540369.db2.gz VGNQEMUYZAHVHY-RNIPGJKVSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673326297 1199540372 /nfs/dbraw/zinc/54/03/72/1199540372.db2.gz VGNQEMUYZAHVHY-RNIPGJKVSA-N 2 2 388.512 0.601 20 0 GCADLP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000673375909 1199582490 /nfs/dbraw/zinc/58/24/90/1199582490.db2.gz IDFNBFLSUNSYJJ-KRWDZBQOSA-N 2 2 380.533 0.548 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001003663751 1199619290 /nfs/dbraw/zinc/61/92/90/1199619290.db2.gz WITDVTUDAAOGSP-IDCNUPLLSA-N 2 2 382.468 0.899 20 0 GCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCO1 ZINC000673428100 1199630064 /nfs/dbraw/zinc/63/00/64/1199630064.db2.gz XAZNMQVQNANDBI-IRXDYDNUSA-N 2 2 377.489 0.664 20 0 GCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCO1 ZINC000673428100 1199630070 /nfs/dbraw/zinc/63/00/70/1199630070.db2.gz XAZNMQVQNANDBI-IRXDYDNUSA-N 2 2 377.489 0.664 20 0 GCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)C1 ZINC001003752148 1199655585 /nfs/dbraw/zinc/65/55/85/1199655585.db2.gz FIULSQAGRJYDAZ-NCOADZHNSA-N 2 2 375.473 0.240 20 0 GCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)C1 ZINC001003752148 1199655591 /nfs/dbraw/zinc/65/55/91/1199655591.db2.gz FIULSQAGRJYDAZ-NCOADZHNSA-N 2 2 375.473 0.240 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673473046 1199690520 /nfs/dbraw/zinc/69/05/20/1199690520.db2.gz UEGSKXUMPBQYBR-NZSAHSFTSA-N 2 2 392.544 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673473046 1199690523 /nfs/dbraw/zinc/69/05/23/1199690523.db2.gz UEGSKXUMPBQYBR-NZSAHSFTSA-N 2 2 392.544 0.687 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC001004285478 1199848612 /nfs/dbraw/zinc/84/86/12/1199848612.db2.gz NTQUZDMOMXXJIE-WCXIOVBPSA-N 2 2 376.501 0.194 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC001004285478 1199848614 /nfs/dbraw/zinc/84/86/14/1199848614.db2.gz NTQUZDMOMXXJIE-WCXIOVBPSA-N 2 2 376.501 0.194 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)O1 ZINC000330303624 1199855647 /nfs/dbraw/zinc/85/56/47/1199855647.db2.gz JYTKDZLMXKIFHX-XFZGEKFBSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)O1 ZINC000330303624 1199855651 /nfs/dbraw/zinc/85/56/51/1199855651.db2.gz JYTKDZLMXKIFHX-XFZGEKFBSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)O1 ZINC000330303624 1199855654 /nfs/dbraw/zinc/85/56/54/1199855654.db2.gz JYTKDZLMXKIFHX-XFZGEKFBSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)O1 ZINC000330303624 1199855658 /nfs/dbraw/zinc/85/56/58/1199855658.db2.gz JYTKDZLMXKIFHX-XFZGEKFBSA-N 2 2 380.533 0.636 20 0 GCADLP COC(=O)C1CCN(C(=O)c2cccnc2NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001168734793 1199869784 /nfs/dbraw/zinc/86/97/84/1199869784.db2.gz BBSRYDIRTKRAOI-UHFFFAOYSA-N 2 2 388.472 0.701 20 0 GCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000155937615 1199878324 /nfs/dbraw/zinc/87/83/24/1199878324.db2.gz HWQONWXSPWDUAM-GOSISDBHSA-N 2 2 389.548 0.970 20 0 GCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000155937615 1199878325 /nfs/dbraw/zinc/87/83/25/1199878325.db2.gz HWQONWXSPWDUAM-GOSISDBHSA-N 2 2 389.548 0.970 20 0 GCADLP Cc1cccc(NCCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[nH+]1 ZINC000922834125 1199878648 /nfs/dbraw/zinc/87/86/48/1199878648.db2.gz HMGMVUGCGJGZHN-UHFFFAOYSA-N 2 2 377.489 0.983 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671415323 1199917878 /nfs/dbraw/zinc/91/78/78/1199917878.db2.gz UFVPIOLMEKAACE-RNIPGJKVSA-N 2 2 388.512 0.773 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671415323 1199917880 /nfs/dbraw/zinc/91/78/80/1199917880.db2.gz UFVPIOLMEKAACE-RNIPGJKVSA-N 2 2 388.512 0.773 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671415323 1199917881 /nfs/dbraw/zinc/91/78/81/1199917881.db2.gz UFVPIOLMEKAACE-RNIPGJKVSA-N 2 2 388.512 0.773 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671415323 1199917882 /nfs/dbraw/zinc/91/78/82/1199917882.db2.gz UFVPIOLMEKAACE-RNIPGJKVSA-N 2 2 388.512 0.773 20 0 GCADLP NC(=O)C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCOCC1 ZINC000543497420 1199965438 /nfs/dbraw/zinc/96/54/38/1199965438.db2.gz MCYKAKKIACZGLT-QGZVFWFLSA-N 2 2 394.541 0.653 20 0 GCADLP CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000625468903 1199966554 /nfs/dbraw/zinc/96/65/54/1199966554.db2.gz XLMLQPQXUYDWKR-QZTJIDSGSA-N 2 2 382.549 0.935 20 0 GCADLP CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000625468903 1199966557 /nfs/dbraw/zinc/96/65/57/1199966557.db2.gz XLMLQPQXUYDWKR-QZTJIDSGSA-N 2 2 382.549 0.935 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000674194957 1200194874 /nfs/dbraw/zinc/19/48/74/1200194874.db2.gz KPFVTSIAEBHWDR-UHFFFAOYSA-N 2 2 392.500 0.746 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000674202400 1200195811 /nfs/dbraw/zinc/19/58/11/1200195811.db2.gz JWLJPMREDRXYDI-INIZCTEOSA-N 2 2 392.500 0.481 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccc(F)cc3)C2)CC1 ZINC000670497679 1200364676 /nfs/dbraw/zinc/36/46/76/1200364676.db2.gz MGLRXZPVHVAQLV-QGZVFWFLSA-N 2 2 376.476 0.769 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccc(F)cc3)C2)CC1 ZINC000670497679 1200364679 /nfs/dbraw/zinc/36/46/79/1200364679.db2.gz MGLRXZPVHVAQLV-QGZVFWFLSA-N 2 2 376.476 0.769 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccc(F)cc3)C2)CC1 ZINC000670497678 1200365182 /nfs/dbraw/zinc/36/51/82/1200365182.db2.gz MGLRXZPVHVAQLV-KRWDZBQOSA-N 2 2 376.476 0.769 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccc(F)cc3)C2)CC1 ZINC000670497678 1200365190 /nfs/dbraw/zinc/36/51/90/1200365190.db2.gz MGLRXZPVHVAQLV-KRWDZBQOSA-N 2 2 376.476 0.769 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)C2)CC1 ZINC000676147843 1200502594 /nfs/dbraw/zinc/50/25/94/1200502594.db2.gz NPDHOWLYSLEVPZ-IERDGZPVSA-N 2 2 399.495 0.640 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)C2)CC1 ZINC000676147843 1200502603 /nfs/dbraw/zinc/50/26/03/1200502603.db2.gz NPDHOWLYSLEVPZ-IERDGZPVSA-N 2 2 399.495 0.640 20 0 GCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000676479900 1200561854 /nfs/dbraw/zinc/56/18/54/1200561854.db2.gz YUIDXNCVGTVLFQ-KRWDZBQOSA-N 2 2 390.532 0.579 20 0 GCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000676479900 1200561859 /nfs/dbraw/zinc/56/18/59/1200561859.db2.gz YUIDXNCVGTVLFQ-KRWDZBQOSA-N 2 2 390.532 0.579 20 0 GCADLP O=C(C[N@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000676567188 1200571291 /nfs/dbraw/zinc/57/12/91/1200571291.db2.gz RFPRXTPPPORFAJ-AEFFLSMTSA-N 2 2 379.526 0.849 20 0 GCADLP O=C(C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000676567188 1200571294 /nfs/dbraw/zinc/57/12/94/1200571294.db2.gz RFPRXTPPPORFAJ-AEFFLSMTSA-N 2 2 379.526 0.849 20 0 GCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000182166489 1200573249 /nfs/dbraw/zinc/57/32/49/1200573249.db2.gz SQPZVVBATJNFCF-RKVPGOIHSA-N 2 2 376.505 0.772 20 0 GCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182166489 1200573255 /nfs/dbraw/zinc/57/32/55/1200573255.db2.gz SQPZVVBATJNFCF-RKVPGOIHSA-N 2 2 376.505 0.772 20 0 GCADLP C[NH+](C)CCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCC1 ZINC000467578755 1200628458 /nfs/dbraw/zinc/62/84/58/1200628458.db2.gz RHYZEUQQVSWYMH-UHFFFAOYSA-N 2 2 378.521 1.553 20 0 GCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000558373065 1200640713 /nfs/dbraw/zinc/64/07/13/1200640713.db2.gz PQHQRHQONYZJMR-IAGOWNOFSA-N 2 2 376.505 1.306 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)[C@H](C)C1 ZINC000548116924 1200783151 /nfs/dbraw/zinc/78/31/51/1200783151.db2.gz GTVUFBRHPOSHFX-MRXNPFEDSA-N 2 2 377.489 1.471 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)[C@H](C)C1 ZINC000548116924 1200783157 /nfs/dbraw/zinc/78/31/57/1200783157.db2.gz GTVUFBRHPOSHFX-MRXNPFEDSA-N 2 2 377.489 1.471 20 0 GCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923332834 1200953009 /nfs/dbraw/zinc/95/30/09/1200953009.db2.gz MFQFJQNCTXNJQQ-MSOLQXFVSA-N 2 2 390.484 0.281 20 0 GCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923332834 1200953013 /nfs/dbraw/zinc/95/30/13/1200953013.db2.gz MFQFJQNCTXNJQQ-MSOLQXFVSA-N 2 2 390.484 0.281 20 0 GCADLP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331756 1200956769 /nfs/dbraw/zinc/95/67/69/1200956769.db2.gz FXTGXEFOQHYMGJ-SJORKVTESA-N 2 2 377.485 0.721 20 0 GCADLP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331756 1200956770 /nfs/dbraw/zinc/95/67/70/1200956770.db2.gz FXTGXEFOQHYMGJ-SJORKVTESA-N 2 2 377.485 0.721 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518738 1201063150 /nfs/dbraw/zinc/06/31/50/1201063150.db2.gz ICZXYFGCGHHLGQ-KCQAQPDRSA-N 2 2 378.498 0.153 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518738 1201063155 /nfs/dbraw/zinc/06/31/55/1201063155.db2.gz ICZXYFGCGHHLGQ-KCQAQPDRSA-N 2 2 378.498 0.153 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N(C)c2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951228 1201260132 /nfs/dbraw/zinc/26/01/32/1201260132.db2.gz BCFBMRGQDJRNMB-PSBWJHGTSA-N 2 2 388.512 0.805 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951228 1201260136 /nfs/dbraw/zinc/26/01/36/1201260136.db2.gz BCFBMRGQDJRNMB-PSBWJHGTSA-N 2 2 388.512 0.805 20 0 GCADLP C[C@@H]1C[NH+](CC(=O)N(C)c2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951228 1201260142 /nfs/dbraw/zinc/26/01/42/1201260142.db2.gz BCFBMRGQDJRNMB-PSBWJHGTSA-N 2 2 388.512 0.805 20 0 GCADLP C[C@@H]1C[NH+](CC(=O)N(C)c2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951228 1201260144 /nfs/dbraw/zinc/26/01/44/1201260144.db2.gz BCFBMRGQDJRNMB-PSBWJHGTSA-N 2 2 388.512 0.805 20 0 GCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081846943 1201305440 /nfs/dbraw/zinc/30/54/40/1201305440.db2.gz NDMABUIGPVPPHZ-UTRMSSBJSA-N 2 2 377.485 0.730 20 0 GCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081846943 1201305444 /nfs/dbraw/zinc/30/54/44/1201305444.db2.gz NDMABUIGPVPPHZ-UTRMSSBJSA-N 2 2 377.485 0.730 20 0 GCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081846943 1201305448 /nfs/dbraw/zinc/30/54/48/1201305448.db2.gz NDMABUIGPVPPHZ-UTRMSSBJSA-N 2 2 377.485 0.730 20 0 GCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081846943 1201305452 /nfs/dbraw/zinc/30/54/52/1201305452.db2.gz NDMABUIGPVPPHZ-UTRMSSBJSA-N 2 2 377.485 0.730 20 0 GCADLP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081847019 1201306695 /nfs/dbraw/zinc/30/66/95/1201306695.db2.gz QDWYZDVFFNTGGR-HUYLIWGRSA-N 2 2 391.512 0.868 20 0 GCADLP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081847019 1201306705 /nfs/dbraw/zinc/30/67/05/1201306705.db2.gz QDWYZDVFFNTGGR-HUYLIWGRSA-N 2 2 391.512 0.868 20 0 GCADLP COCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081847019 1201306711 /nfs/dbraw/zinc/30/67/11/1201306711.db2.gz QDWYZDVFFNTGGR-HUYLIWGRSA-N 2 2 391.512 0.868 20 0 GCADLP COCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081847019 1201306717 /nfs/dbraw/zinc/30/67/17/1201306717.db2.gz QDWYZDVFFNTGGR-HUYLIWGRSA-N 2 2 391.512 0.868 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CCOC)no3)C2)CC[N@@H+]1C ZINC001082522094 1201337652 /nfs/dbraw/zinc/33/76/52/1201337652.db2.gz ROWKRKHWZMPJCV-QKPAOTATSA-N 2 2 379.505 0.925 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CCOC)no3)C2)CC[N@H+]1C ZINC001082522094 1201337655 /nfs/dbraw/zinc/33/76/55/1201337655.db2.gz ROWKRKHWZMPJCV-QKPAOTATSA-N 2 2 379.505 0.925 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082572548 1201337753 /nfs/dbraw/zinc/33/77/53/1201337753.db2.gz JEMKAGJRZYXOEA-XKVFNRALSA-N 2 2 381.440 0.486 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082572548 1201337758 /nfs/dbraw/zinc/33/77/58/1201337758.db2.gz JEMKAGJRZYXOEA-XKVFNRALSA-N 2 2 381.440 0.486 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082590229 1201339029 /nfs/dbraw/zinc/33/90/29/1201339029.db2.gz KVEOZRKBUANXOK-KBUPBQIOSA-N 2 2 379.509 0.084 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082590229 1201339035 /nfs/dbraw/zinc/33/90/35/1201339035.db2.gz KVEOZRKBUANXOK-KBUPBQIOSA-N 2 2 379.509 0.084 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000526996264 1201361474 /nfs/dbraw/zinc/36/14/74/1201361474.db2.gz GNGHJFNRJJDLDF-GOSISDBHSA-N 2 2 380.533 0.689 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000526996264 1201361478 /nfs/dbraw/zinc/36/14/78/1201361478.db2.gz GNGHJFNRJJDLDF-GOSISDBHSA-N 2 2 380.533 0.689 20 0 GCADLP C[C@H](CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)[NH+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663804 1201367268 /nfs/dbraw/zinc/36/72/68/1201367268.db2.gz XKSIHNDSUQGBLO-SQNIBIBYSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[N@H+]1CCC[C@H](N2CCNC2=O)C1)[NH+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663804 1201367274 /nfs/dbraw/zinc/36/72/74/1201367274.db2.gz XKSIHNDSUQGBLO-SQNIBIBYSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[NH+]1CCC[C@H](N2CCNC2=O)C1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663804 1201367281 /nfs/dbraw/zinc/36/72/81/1201367281.db2.gz XKSIHNDSUQGBLO-SQNIBIBYSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[NH+]1CCC[C@H](N2CCNC2=O)C1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663804 1201367287 /nfs/dbraw/zinc/36/72/87/1201367287.db2.gz XKSIHNDSUQGBLO-SQNIBIBYSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000727941891 1201386249 /nfs/dbraw/zinc/38/62/49/1201386249.db2.gz KXOYHIVEDIYGGN-QUCCMNQESA-N 2 2 389.544 0.995 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000727941891 1201386256 /nfs/dbraw/zinc/38/62/56/1201386256.db2.gz KXOYHIVEDIYGGN-QUCCMNQESA-N 2 2 389.544 0.995 20 0 GCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000175914050 1201492639 /nfs/dbraw/zinc/49/26/39/1201492639.db2.gz SYFLFVBRMCKRIT-DLBZAZTESA-N 2 2 375.521 0.771 20 0 GCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084970102 1201513902 /nfs/dbraw/zinc/51/39/02/1201513902.db2.gz OGTZAJKUABAPHW-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP COc1cncc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084970102 1201513908 /nfs/dbraw/zinc/51/39/08/1201513908.db2.gz OGTZAJKUABAPHW-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP COc1cncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084970102 1201513911 /nfs/dbraw/zinc/51/39/11/1201513911.db2.gz OGTZAJKUABAPHW-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP COc1cncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084970102 1201513916 /nfs/dbraw/zinc/51/39/16/1201513916.db2.gz OGTZAJKUABAPHW-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969901 1201514449 /nfs/dbraw/zinc/51/44/49/1201514449.db2.gz DHBGWDXVNSAXOA-SKWUIDRYSA-N 2 2 390.532 0.748 20 0 GCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969901 1201514451 /nfs/dbraw/zinc/51/44/51/1201514451.db2.gz DHBGWDXVNSAXOA-SKWUIDRYSA-N 2 2 390.532 0.748 20 0 GCADLP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969901 1201514454 /nfs/dbraw/zinc/51/44/54/1201514454.db2.gz DHBGWDXVNSAXOA-SKWUIDRYSA-N 2 2 390.532 0.748 20 0 GCADLP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969901 1201514460 /nfs/dbraw/zinc/51/44/60/1201514460.db2.gz DHBGWDXVNSAXOA-SKWUIDRYSA-N 2 2 390.532 0.748 20 0 GCADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565544 1201548922 /nfs/dbraw/zinc/54/89/22/1201548922.db2.gz ZJNYCMVPCQJBSM-OAHLLOKOSA-N 2 2 377.489 0.756 20 0 GCADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565544 1201548927 /nfs/dbraw/zinc/54/89/27/1201548927.db2.gz ZJNYCMVPCQJBSM-OAHLLOKOSA-N 2 2 377.489 0.756 20 0 GCADLP CN(C(=O)/C=C/C1CCOCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000732659605 1201554555 /nfs/dbraw/zinc/55/45/55/1201554555.db2.gz FCYPWIXSDNRSJJ-ONEGZZNKSA-N 2 2 392.544 0.666 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000732780087 1201560948 /nfs/dbraw/zinc/56/09/48/1201560948.db2.gz HWTYEPHKQYXZMK-HNNXBMFYSA-N 2 2 384.521 0.812 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000732780087 1201560952 /nfs/dbraw/zinc/56/09/52/1201560952.db2.gz HWTYEPHKQYXZMK-HNNXBMFYSA-N 2 2 384.521 0.812 20 0 GCADLP C[NH+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC001065712700 1201630955 /nfs/dbraw/zinc/63/09/55/1201630955.db2.gz CFEMUBNNSLVZRH-TVFCKZIOSA-N 2 2 378.517 0.251 20 0 GCADLP [NH3+]Cc1cccc(-c2nnn(-c3ccc(OCC[NH+]4CCOCC4)nc3)n2)c1 ZINC001168883302 1201928173 /nfs/dbraw/zinc/92/81/73/1201928173.db2.gz ITSKNCXNCKODIY-UHFFFAOYSA-N 2 2 381.440 0.894 20 0 GCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CO1 ZINC001169399776 1201946142 /nfs/dbraw/zinc/94/61/42/1201946142.db2.gz WSCQBPZTRUXUBE-HOTGVXAUSA-N 2 2 378.473 0.621 20 0 GCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CO1 ZINC001169399776 1201946145 /nfs/dbraw/zinc/94/61/45/1201946145.db2.gz WSCQBPZTRUXUBE-HOTGVXAUSA-N 2 2 378.473 0.621 20 0 GCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109307879 1202016559 /nfs/dbraw/zinc/01/65/59/1202016559.db2.gz GDBPWEPRIHNRFF-CRWXNKLISA-N 2 2 376.461 0.313 20 0 GCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109307879 1202016561 /nfs/dbraw/zinc/01/65/61/1202016561.db2.gz GDBPWEPRIHNRFF-CRWXNKLISA-N 2 2 376.461 0.313 20 0 GCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109305440 1202018584 /nfs/dbraw/zinc/01/85/84/1202018584.db2.gz JADRUSMNWIWERQ-ICUGJSFKSA-N 2 2 380.533 0.591 20 0 GCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109305440 1202018586 /nfs/dbraw/zinc/01/85/86/1202018586.db2.gz JADRUSMNWIWERQ-ICUGJSFKSA-N 2 2 380.533 0.591 20 0 GCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001109305440 1202018591 /nfs/dbraw/zinc/01/85/91/1202018591.db2.gz JADRUSMNWIWERQ-ICUGJSFKSA-N 2 2 380.533 0.591 20 0 GCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109305440 1202018593 /nfs/dbraw/zinc/01/85/93/1202018593.db2.gz JADRUSMNWIWERQ-ICUGJSFKSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305445 1202018753 /nfs/dbraw/zinc/01/87/53/1202018753.db2.gz JILKBEGYZOEVKT-QQXKLLMISA-N 2 2 394.560 0.979 20 0 GCADLP CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305445 1202018755 /nfs/dbraw/zinc/01/87/55/1202018755.db2.gz JILKBEGYZOEVKT-QQXKLLMISA-N 2 2 394.560 0.979 20 0 GCADLP CC(C)OCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109305445 1202018757 /nfs/dbraw/zinc/01/87/57/1202018757.db2.gz JILKBEGYZOEVKT-QQXKLLMISA-N 2 2 394.560 0.979 20 0 GCADLP CC(C)OCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109305445 1202018759 /nfs/dbraw/zinc/01/87/59/1202018759.db2.gz JILKBEGYZOEVKT-QQXKLLMISA-N 2 2 394.560 0.979 20 0 GCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396550 1202036470 /nfs/dbraw/zinc/03/64/70/1202036470.db2.gz GHFQJDVAVQYMOA-FZKCQIBNSA-N 2 2 379.505 0.141 20 0 GCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396550 1202036471 /nfs/dbraw/zinc/03/64/71/1202036471.db2.gz GHFQJDVAVQYMOA-FZKCQIBNSA-N 2 2 379.505 0.141 20 0 GCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109396550 1202036474 /nfs/dbraw/zinc/03/64/74/1202036474.db2.gz GHFQJDVAVQYMOA-FZKCQIBNSA-N 2 2 379.505 0.141 20 0 GCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109396550 1202036475 /nfs/dbraw/zinc/03/64/75/1202036475.db2.gz GHFQJDVAVQYMOA-FZKCQIBNSA-N 2 2 379.505 0.141 20 0 GCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1)C1CCC1 ZINC001109410850 1202039487 /nfs/dbraw/zinc/03/94/87/1202039487.db2.gz YJCOWEYNELSHST-OWSLCNJRSA-N 2 2 378.517 0.487 20 0 GCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1)C1CCC1 ZINC001109410850 1202039490 /nfs/dbraw/zinc/03/94/90/1202039490.db2.gz YJCOWEYNELSHST-OWSLCNJRSA-N 2 2 378.517 0.487 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1)C1CCC1 ZINC001109410850 1202039493 /nfs/dbraw/zinc/03/94/93/1202039493.db2.gz YJCOWEYNELSHST-OWSLCNJRSA-N 2 2 378.517 0.487 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1)C1CCC1 ZINC001109410850 1202039495 /nfs/dbraw/zinc/03/94/95/1202039495.db2.gz YJCOWEYNELSHST-OWSLCNJRSA-N 2 2 378.517 0.487 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419549 1202041806 /nfs/dbraw/zinc/04/18/06/1202041806.db2.gz VESVYOSHTFTYEE-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419549 1202041808 /nfs/dbraw/zinc/04/18/08/1202041808.db2.gz VESVYOSHTFTYEE-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109419549 1202041810 /nfs/dbraw/zinc/04/18/10/1202041810.db2.gz VESVYOSHTFTYEE-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109419549 1202041812 /nfs/dbraw/zinc/04/18/12/1202041812.db2.gz VESVYOSHTFTYEE-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP NC(=O)C1CC[NH+](CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000746497793 1202056166 /nfs/dbraw/zinc/05/61/66/1202056166.db2.gz LXMVBOFTLIDMKT-NRFANRHFSA-N 2 2 399.495 0.728 20 0 GCADLP NC(=O)C1CC[NH+](CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000746497793 1202056168 /nfs/dbraw/zinc/05/61/68/1202056168.db2.gz LXMVBOFTLIDMKT-NRFANRHFSA-N 2 2 399.495 0.728 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109465992 1202056772 /nfs/dbraw/zinc/05/67/72/1202056772.db2.gz DBYRIWYCPJALNT-XGUBFFRZSA-N 2 2 381.521 0.672 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109465992 1202056776 /nfs/dbraw/zinc/05/67/76/1202056776.db2.gz DBYRIWYCPJALNT-XGUBFFRZSA-N 2 2 381.521 0.672 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109465992 1202056777 /nfs/dbraw/zinc/05/67/77/1202056777.db2.gz DBYRIWYCPJALNT-XGUBFFRZSA-N 2 2 381.521 0.672 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109465992 1202056780 /nfs/dbraw/zinc/05/67/80/1202056780.db2.gz DBYRIWYCPJALNT-XGUBFFRZSA-N 2 2 381.521 0.672 20 0 GCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109643493 1202096716 /nfs/dbraw/zinc/09/67/16/1202096716.db2.gz JYPGTEDPGCWTKX-VSZNYVQBSA-N 2 2 380.533 0.589 20 0 GCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109643493 1202096720 /nfs/dbraw/zinc/09/67/20/1202096720.db2.gz JYPGTEDPGCWTKX-VSZNYVQBSA-N 2 2 380.533 0.589 20 0 GCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109643493 1202096723 /nfs/dbraw/zinc/09/67/23/1202096723.db2.gz JYPGTEDPGCWTKX-VSZNYVQBSA-N 2 2 380.533 0.589 20 0 GCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109643493 1202096724 /nfs/dbraw/zinc/09/67/24/1202096724.db2.gz JYPGTEDPGCWTKX-VSZNYVQBSA-N 2 2 380.533 0.589 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001109651363 1202098417 /nfs/dbraw/zinc/09/84/17/1202098417.db2.gz WXBVIHHWZGAYTI-YVSFHVDLSA-N 2 2 378.517 0.202 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001109651363 1202098420 /nfs/dbraw/zinc/09/84/20/1202098420.db2.gz WXBVIHHWZGAYTI-YVSFHVDLSA-N 2 2 378.517 0.202 20 0 GCADLP COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671471 1202103362 /nfs/dbraw/zinc/10/33/62/1202103362.db2.gz KIGYTGZFJHHEEW-OWSLCNJRSA-N 2 2 377.489 0.605 20 0 GCADLP COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671471 1202103366 /nfs/dbraw/zinc/10/33/66/1202103366.db2.gz KIGYTGZFJHHEEW-OWSLCNJRSA-N 2 2 377.489 0.605 20 0 GCADLP COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001109671471 1202103368 /nfs/dbraw/zinc/10/33/68/1202103368.db2.gz KIGYTGZFJHHEEW-OWSLCNJRSA-N 2 2 377.489 0.605 20 0 GCADLP COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001109671471 1202103369 /nfs/dbraw/zinc/10/33/69/1202103369.db2.gz KIGYTGZFJHHEEW-OWSLCNJRSA-N 2 2 377.489 0.605 20 0 GCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109734076 1202114660 /nfs/dbraw/zinc/11/46/60/1202114660.db2.gz LYKOTEJKORLSFT-MHORFTMASA-N 2 2 380.533 0.733 20 0 GCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109734076 1202114663 /nfs/dbraw/zinc/11/46/63/1202114663.db2.gz LYKOTEJKORLSFT-MHORFTMASA-N 2 2 380.533 0.733 20 0 GCADLP CN(C(=O)c1ccc(F)nc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000746229315 1202121665 /nfs/dbraw/zinc/12/16/65/1202121665.db2.gz MWWSUVZAQWYJJV-UHFFFAOYSA-N 2 2 377.464 0.531 20 0 GCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843632 1202134251 /nfs/dbraw/zinc/13/42/51/1202134251.db2.gz VJSXZXDYQODCKN-MHORFTMASA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843632 1202134253 /nfs/dbraw/zinc/13/42/53/1202134253.db2.gz VJSXZXDYQODCKN-MHORFTMASA-N 2 2 380.533 0.687 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868410 1202140667 /nfs/dbraw/zinc/14/06/67/1202140667.db2.gz PEZUBSMJYVSQCQ-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868410 1202140668 /nfs/dbraw/zinc/14/06/68/1202140668.db2.gz PEZUBSMJYVSQCQ-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771766103 1202161761 /nfs/dbraw/zinc/16/17/61/1202161761.db2.gz QIZGTJPNXMXJRI-IPMKNSEASA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771766103 1202161763 /nfs/dbraw/zinc/16/17/63/1202161763.db2.gz QIZGTJPNXMXJRI-IPMKNSEASA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000771766103 1202161765 /nfs/dbraw/zinc/16/17/65/1202161765.db2.gz QIZGTJPNXMXJRI-IPMKNSEASA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000771766103 1202161767 /nfs/dbraw/zinc/16/17/67/1202161767.db2.gz QIZGTJPNXMXJRI-IPMKNSEASA-N 3 2 379.549 0.660 20 0 GCADLP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109968943 1202163151 /nfs/dbraw/zinc/16/31/51/1202163151.db2.gz JOPIQVZUBNPYKS-PMPSAXMXSA-N 2 2 381.521 0.805 20 0 GCADLP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109968943 1202163152 /nfs/dbraw/zinc/16/31/52/1202163152.db2.gz JOPIQVZUBNPYKS-PMPSAXMXSA-N 2 2 381.521 0.805 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110002742 1202173031 /nfs/dbraw/zinc/17/30/31/1202173031.db2.gz RXBAVHVSLQESTE-MHORFTMASA-N 2 2 380.533 0.593 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110002742 1202173035 /nfs/dbraw/zinc/17/30/35/1202173035.db2.gz RXBAVHVSLQESTE-MHORFTMASA-N 2 2 380.533 0.593 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110022429 1202175751 /nfs/dbraw/zinc/17/57/51/1202175751.db2.gz XLSIRNHNRRUDEP-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110022429 1202175754 /nfs/dbraw/zinc/17/57/54/1202175754.db2.gz XLSIRNHNRRUDEP-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110022429 1202175755 /nfs/dbraw/zinc/17/57/55/1202175755.db2.gz XLSIRNHNRRUDEP-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CCCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110022429 1202175758 /nfs/dbraw/zinc/17/57/58/1202175758.db2.gz XLSIRNHNRRUDEP-PMPSAXMXSA-N 2 2 381.521 0.676 20 0 GCADLP CN(C(=O)C[C@@H]1CCCOC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000793443292 1205498584 /nfs/dbraw/zinc/49/85/84/1205498584.db2.gz GFNFNOXUGLDEOF-KRWDZBQOSA-N 2 2 380.533 0.500 20 0 GCADLP C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793678348 1205502288 /nfs/dbraw/zinc/50/22/88/1205502288.db2.gz FFZGSAZNVKQIEQ-IRXDYDNUSA-N 2 2 388.512 0.855 20 0 GCADLP C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793678348 1205502290 /nfs/dbraw/zinc/50/22/90/1205502290.db2.gz FFZGSAZNVKQIEQ-IRXDYDNUSA-N 2 2 388.512 0.855 20 0 GCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793715993 1205503557 /nfs/dbraw/zinc/50/35/57/1205503557.db2.gz BSIJCSPPQQRARF-SJORKVTESA-N 2 2 383.452 0.468 20 0 GCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793715993 1205503559 /nfs/dbraw/zinc/50/35/59/1205503559.db2.gz BSIJCSPPQQRARF-SJORKVTESA-N 2 2 383.452 0.468 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000793706325 1205504706 /nfs/dbraw/zinc/50/47/06/1205504706.db2.gz GKCMUVNZWPEATF-KZNAEPCWSA-N 2 2 380.533 0.737 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000793738021 1205505539 /nfs/dbraw/zinc/50/55/39/1205505539.db2.gz MUHOHKUMWCNXQU-QGZVFWFLSA-N 3 2 393.576 0.650 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000793738021 1205505541 /nfs/dbraw/zinc/50/55/41/1205505541.db2.gz MUHOHKUMWCNXQU-QGZVFWFLSA-N 3 2 393.576 0.650 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000793873905 1205508432 /nfs/dbraw/zinc/50/84/32/1205508432.db2.gz DHLHEYZYJCDJNQ-SJORKVTESA-N 2 2 398.548 0.843 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000793873905 1205508433 /nfs/dbraw/zinc/50/84/33/1205508433.db2.gz DHLHEYZYJCDJNQ-SJORKVTESA-N 2 2 398.548 0.843 20 0 GCADLP CCN(CCc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806209771 1205551486 /nfs/dbraw/zinc/55/14/86/1205551486.db2.gz BAPZHBYTOXSSCT-GOSISDBHSA-N 2 2 387.528 0.757 20 0 GCADLP CCN(CCc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806209771 1205551487 /nfs/dbraw/zinc/55/14/87/1205551487.db2.gz BAPZHBYTOXSSCT-GOSISDBHSA-N 2 2 387.528 0.757 20 0 GCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131075977 1205593731 /nfs/dbraw/zinc/59/37/31/1205593731.db2.gz CGTRUEZBWDTLRX-QBPKDAKJSA-N 2 2 386.500 0.878 20 0 GCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131076445 1205593863 /nfs/dbraw/zinc/59/38/63/1205593863.db2.gz NGCUJFJQEQRWKH-QBPKDAKJSA-N 2 2 386.500 0.878 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)C1 ZINC000747470029 1205603898 /nfs/dbraw/zinc/60/38/98/1205603898.db2.gz JPSZZAFUUKWWAV-ROUUACIJSA-N 2 2 391.516 0.728 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)C1 ZINC000747470029 1205603899 /nfs/dbraw/zinc/60/38/99/1205603899.db2.gz JPSZZAFUUKWWAV-ROUUACIJSA-N 2 2 391.516 0.728 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747470633 1205604229 /nfs/dbraw/zinc/60/42/29/1205604229.db2.gz NHSKCKIRGOCJRQ-MRXNPFEDSA-N 3 2 381.521 0.393 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747470633 1205604230 /nfs/dbraw/zinc/60/42/30/1205604230.db2.gz NHSKCKIRGOCJRQ-MRXNPFEDSA-N 3 2 381.521 0.393 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955225 1205632026 /nfs/dbraw/zinc/63/20/26/1205632026.db2.gz STFFVZVDCLLHRH-DNVCBOLYSA-N 2 2 384.521 0.501 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955225 1205632027 /nfs/dbraw/zinc/63/20/27/1205632027.db2.gz STFFVZVDCLLHRH-DNVCBOLYSA-N 2 2 384.521 0.501 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000810269302 1205635222 /nfs/dbraw/zinc/63/52/22/1205635222.db2.gz DWADIPKAICCFTI-BRWVUGGUSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000810269302 1205635224 /nfs/dbraw/zinc/63/52/24/1205635224.db2.gz DWADIPKAICCFTI-BRWVUGGUSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000810269302 1205635226 /nfs/dbraw/zinc/63/52/26/1205635226.db2.gz DWADIPKAICCFTI-BRWVUGGUSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000810269302 1205635227 /nfs/dbraw/zinc/63/52/27/1205635227.db2.gz DWADIPKAICCFTI-BRWVUGGUSA-N 2 2 377.489 0.463 20 0 GCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000747799228 1205666702 /nfs/dbraw/zinc/66/67/02/1205666702.db2.gz SLDDZUVHBVZFEE-UHFFFAOYSA-N 2 2 398.467 0.837 20 0 GCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)N1CCOCC1 ZINC001086722169 1205692086 /nfs/dbraw/zinc/69/20/86/1205692086.db2.gz NZIYMBKGSPEMOU-ZJIFWQFVSA-N 2 2 375.473 0.247 20 0 GCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)N1CCOCC1 ZINC001086722169 1205692087 /nfs/dbraw/zinc/69/20/87/1205692087.db2.gz NZIYMBKGSPEMOU-ZJIFWQFVSA-N 2 2 375.473 0.247 20 0 GCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172115751 1205713058 /nfs/dbraw/zinc/71/30/58/1205713058.db2.gz ZXAFADDAMZXSIZ-PJVZLEMVSA-N 2 2 388.512 0.165 20 0 GCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172115751 1205713060 /nfs/dbraw/zinc/71/30/60/1205713060.db2.gz ZXAFADDAMZXSIZ-PJVZLEMVSA-N 2 2 388.512 0.165 20 0 GCADLP O=C1CC[C@@H]2C[C@H]([N@@H+]3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)CCN12 ZINC001172175692 1205713738 /nfs/dbraw/zinc/71/37/38/1205713738.db2.gz VJEKVSSESYCZLN-IAGOWNOFSA-N 2 2 382.468 0.847 20 0 GCADLP O=C1CC[C@@H]2C[C@H]([N@H+]3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)CCN12 ZINC001172175692 1205713739 /nfs/dbraw/zinc/71/37/39/1205713739.db2.gz VJEKVSSESYCZLN-IAGOWNOFSA-N 2 2 382.468 0.847 20 0 GCADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C1CC[NH+](CCCOC)CC1)CC2 ZINC001172250129 1205714889 /nfs/dbraw/zinc/71/48/89/1205714889.db2.gz AQUOEBJUFPGDEB-GOSISDBHSA-N 2 2 383.533 0.873 20 0 GCADLP CC[N@@H+]1CC[C@H](N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001173363670 1205719934 /nfs/dbraw/zinc/71/99/34/1205719934.db2.gz XQFJQELYNSMSKW-MSOLQXFVSA-N 2 2 377.533 0.762 20 0 GCADLP CC[N@H+]1CC[C@H](N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001173363670 1205719935 /nfs/dbraw/zinc/71/99/35/1205719935.db2.gz XQFJQELYNSMSKW-MSOLQXFVSA-N 2 2 377.533 0.762 20 0 GCADLP CC[N@@H+]1CC[C@H](N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001173363672 1205720037 /nfs/dbraw/zinc/72/00/37/1205720037.db2.gz XQFJQELYNSMSKW-ROUUACIJSA-N 2 2 377.533 0.762 20 0 GCADLP CC[N@H+]1CC[C@H](N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001173363672 1205720038 /nfs/dbraw/zinc/72/00/38/1205720038.db2.gz XQFJQELYNSMSKW-ROUUACIJSA-N 2 2 377.533 0.762 20 0 GCADLP COC(=O)[C@@H]1C[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173504928 1205722064 /nfs/dbraw/zinc/72/20/64/1205722064.db2.gz WTGOAXPXPGLPKY-SJORKVTESA-N 2 2 387.484 0.605 20 0 GCADLP COC(=O)[C@H]1C[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173506090 1205722148 /nfs/dbraw/zinc/72/21/48/1205722148.db2.gz HJOJSCIYMJEECQ-ZWKOTPCHSA-N 2 2 389.496 0.879 20 0 GCADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](CCC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173517938 1205723119 /nfs/dbraw/zinc/72/31/19/1205723119.db2.gz TYNZUQWKCIVMJK-OALUTQOASA-N 2 2 388.512 0.799 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+]([C@@H]2CCC[C@@H](n4ncnn4)C2)CC3)CC1 ZINC001173753869 1205727538 /nfs/dbraw/zinc/72/75/38/1205727538.db2.gz PPTVOIBBPHUHQY-QZTJIDSGSA-N 2 2 385.520 0.617 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+]([C@@H]2CCC[C@@H](n4ncnn4)C2)CC3)CC1 ZINC001173753869 1205727539 /nfs/dbraw/zinc/72/75/39/1205727539.db2.gz PPTVOIBBPHUHQY-QZTJIDSGSA-N 2 2 385.520 0.617 20 0 GCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2c[nH+]c[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001176836376 1205756301 /nfs/dbraw/zinc/75/63/01/1205756301.db2.gz HETQCCPSAOCPGR-GIVGJKMXSA-N 3 2 397.520 0.248 20 0 GCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177089213 1205761610 /nfs/dbraw/zinc/76/16/10/1205761610.db2.gz UTGKEXQCNGWFDR-CYBMUJFWSA-N 2 2 375.433 0.629 20 0 GCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177089213 1205761611 /nfs/dbraw/zinc/76/16/11/1205761611.db2.gz UTGKEXQCNGWFDR-CYBMUJFWSA-N 2 2 375.433 0.629 20 0 GCADLP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178121986 1205783052 /nfs/dbraw/zinc/78/30/52/1205783052.db2.gz OFUYEIIISNVRQI-CQSZACIVSA-N 2 2 389.481 0.392 20 0 GCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C[NH+](C)C3CCCC3)C2)C1 ZINC001180626464 1205827716 /nfs/dbraw/zinc/82/77/16/1205827716.db2.gz NVQBELUNXSETNF-HXUWFJFHSA-N 2 2 380.533 0.548 20 0 GCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C[NH+](C)C3CCCC3)C2)C1 ZINC001180626464 1205827718 /nfs/dbraw/zinc/82/77/18/1205827718.db2.gz NVQBELUNXSETNF-HXUWFJFHSA-N 2 2 380.533 0.548 20 0 GCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)C[N@H+](C)C3CCCC3)C2)C1 ZINC001180626464 1205827720 /nfs/dbraw/zinc/82/77/20/1205827720.db2.gz NVQBELUNXSETNF-HXUWFJFHSA-N 2 2 380.533 0.548 20 0 GCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)C[N@@H+](C)C3CCCC3)C2)C1 ZINC001180626464 1205827722 /nfs/dbraw/zinc/82/77/22/1205827722.db2.gz NVQBELUNXSETNF-HXUWFJFHSA-N 2 2 380.533 0.548 20 0 GCADLP Cc1ccc(N(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761143 1205830267 /nfs/dbraw/zinc/83/02/67/1205830267.db2.gz XHIZRZXDRUDONT-TXPKVOOTSA-N 2 2 375.473 0.360 20 0 GCADLP Cc1ccc(N(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761143 1205830269 /nfs/dbraw/zinc/83/02/69/1205830269.db2.gz XHIZRZXDRUDONT-TXPKVOOTSA-N 2 2 375.473 0.360 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)C1 ZINC001180760208 1205831363 /nfs/dbraw/zinc/83/13/63/1205831363.db2.gz MKVHOHZPCNUYNS-CQSZACIVSA-N 2 2 397.439 0.247 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)C1 ZINC001180760208 1205831364 /nfs/dbraw/zinc/83/13/64/1205831364.db2.gz MKVHOHZPCNUYNS-CQSZACIVSA-N 2 2 397.439 0.247 20 0 GCADLP C[C@@H](C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1)[NH+](C)C ZINC001180860806 1205834336 /nfs/dbraw/zinc/83/43/36/1205834336.db2.gz NBIJWSOCXMWZAP-HOTGVXAUSA-N 2 2 379.505 0.145 20 0 GCADLP CCOC(=O)C(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181054723 1205837849 /nfs/dbraw/zinc/83/78/49/1205837849.db2.gz PSXCIHGWOUCHLL-UHFFFAOYSA-N 2 2 396.532 0.273 20 0 GCADLP CCOC(=O)C(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181054723 1205837851 /nfs/dbraw/zinc/83/78/51/1205837851.db2.gz PSXCIHGWOUCHLL-UHFFFAOYSA-N 2 2 396.532 0.273 20 0 GCADLP Cn1nnc2c1CCN(C(=O)Cc1cc[nH+]c(N)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001181247847 1205840529 /nfs/dbraw/zinc/84/05/29/1205840529.db2.gz BOPMOFXJTXESLA-QGZVFWFLSA-N 2 2 399.499 0.573 20 0 GCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C12CC[NH+](CC1)CC2 ZINC001181546812 1205846093 /nfs/dbraw/zinc/84/60/93/1205846093.db2.gz JDXJBQCCDFILIU-QFBILLFUSA-N 2 2 379.501 0.727 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181975282 1205853236 /nfs/dbraw/zinc/85/32/36/1205853236.db2.gz CEUMMXVVWUWCLZ-HLIPFELVSA-N 2 2 381.517 0.972 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001181975282 1205853238 /nfs/dbraw/zinc/85/32/38/1205853238.db2.gz CEUMMXVVWUWCLZ-HLIPFELVSA-N 2 2 381.517 0.972 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1=O ZINC001182011023 1205854620 /nfs/dbraw/zinc/85/46/20/1205854620.db2.gz AHBWBMPRCQIFFK-GOSISDBHSA-N 3 2 391.560 0.025 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1=O ZINC001182011023 1205854621 /nfs/dbraw/zinc/85/46/21/1205854621.db2.gz AHBWBMPRCQIFFK-GOSISDBHSA-N 3 2 391.560 0.025 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001182269810 1205861606 /nfs/dbraw/zinc/86/16/06/1205861606.db2.gz OQBZHSSSFKWHMF-CYBMUJFWSA-N 2 2 392.522 0.065 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001182269810 1205861609 /nfs/dbraw/zinc/86/16/09/1205861609.db2.gz OQBZHSSSFKWHMF-CYBMUJFWSA-N 2 2 392.522 0.065 20 0 GCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001182838701 1205881316 /nfs/dbraw/zinc/88/13/16/1205881316.db2.gz UFZWZMXDQYFDDJ-KRWDZBQOSA-N 3 2 379.549 0.166 20 0 GCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001182838701 1205881318 /nfs/dbraw/zinc/88/13/18/1205881318.db2.gz UFZWZMXDQYFDDJ-KRWDZBQOSA-N 3 2 379.549 0.166 20 0 GCADLP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001182838701 1205881320 /nfs/dbraw/zinc/88/13/20/1205881320.db2.gz UFZWZMXDQYFDDJ-KRWDZBQOSA-N 3 2 379.549 0.166 20 0 GCADLP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001182838701 1205881322 /nfs/dbraw/zinc/88/13/22/1205881322.db2.gz UFZWZMXDQYFDDJ-KRWDZBQOSA-N 3 2 379.549 0.166 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccn4ccnc4c3)CC2)C1=O ZINC001151326261 1205890610 /nfs/dbraw/zinc/89/06/10/1205890610.db2.gz YYHXBQWHYDTMEF-UHFFFAOYSA-N 2 2 398.511 0.645 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccn4ccnc4c3)CC2)C1=O ZINC001151326261 1205890612 /nfs/dbraw/zinc/89/06/12/1205890612.db2.gz YYHXBQWHYDTMEF-UHFFFAOYSA-N 2 2 398.511 0.645 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC001183372889 1205892069 /nfs/dbraw/zinc/89/20/69/1205892069.db2.gz JHHBIVLZVREINF-GASCZTMLSA-N 2 2 388.516 0.033 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[C@@]34CCCOC4)CC2)C1=O ZINC001183714996 1205899073 /nfs/dbraw/zinc/89/90/73/1205899073.db2.gz LESXSVNGFOLPDW-FXAWDEMLSA-N 2 2 392.544 0.500 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[C@@]34CCCOC4)CC2)C1=O ZINC001183714996 1205899075 /nfs/dbraw/zinc/89/90/75/1205899075.db2.gz LESXSVNGFOLPDW-FXAWDEMLSA-N 2 2 392.544 0.500 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CC3(C)CCOCC3)CC2)C1=O ZINC001183831428 1205900937 /nfs/dbraw/zinc/90/09/37/1205900937.db2.gz VESMDDNRJZYSQO-UHFFFAOYSA-N 2 2 394.560 0.890 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CC3(C)CCOCC3)CC2)C1=O ZINC001183831428 1205900939 /nfs/dbraw/zinc/90/09/39/1205900939.db2.gz VESMDDNRJZYSQO-UHFFFAOYSA-N 2 2 394.560 0.890 20 0 GCADLP C[N@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183804766 1205901090 /nfs/dbraw/zinc/90/10/90/1205901090.db2.gz GXFVCVZEHIUAQX-ZDUSSCGKSA-N 2 2 392.522 0.065 20 0 GCADLP C[N@@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183804766 1205901092 /nfs/dbraw/zinc/90/10/92/1205901092.db2.gz GXFVCVZEHIUAQX-ZDUSSCGKSA-N 2 2 392.522 0.065 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)NCC[NH+]2Cc1ccccc1 ZINC001185250428 1205918975 /nfs/dbraw/zinc/91/89/75/1205918975.db2.gz GGIPDYDPQLKNEV-LJQANCHMSA-N 2 2 399.539 0.225 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)NCC[NH+]2Cc1ccccc1 ZINC001185250428 1205918976 /nfs/dbraw/zinc/91/89/76/1205918976.db2.gz GGIPDYDPQLKNEV-LJQANCHMSA-N 2 2 399.539 0.225 20 0 GCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001185250428 1205918977 /nfs/dbraw/zinc/91/89/77/1205918977.db2.gz GGIPDYDPQLKNEV-LJQANCHMSA-N 2 2 399.539 0.225 20 0 GCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001185250428 1205918978 /nfs/dbraw/zinc/91/89/78/1205918978.db2.gz GGIPDYDPQLKNEV-LJQANCHMSA-N 2 2 399.539 0.225 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCCn3c(C[NH+](C)C(C)C)nnc3C2)C1 ZINC001186107606 1205935037 /nfs/dbraw/zinc/93/50/37/1205935037.db2.gz XDEUDFJDNQOSKZ-HNNXBMFYSA-N 2 2 392.504 0.346 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCCn3c(C[NH+](C)C(C)C)nnc3C2)C1 ZINC001186107606 1205935038 /nfs/dbraw/zinc/93/50/38/1205935038.db2.gz XDEUDFJDNQOSKZ-HNNXBMFYSA-N 2 2 392.504 0.346 20 0 GCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)C1 ZINC001186107606 1205935039 /nfs/dbraw/zinc/93/50/39/1205935039.db2.gz XDEUDFJDNQOSKZ-HNNXBMFYSA-N 2 2 392.504 0.346 20 0 GCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)C1 ZINC001186107606 1205935040 /nfs/dbraw/zinc/93/50/40/1205935040.db2.gz XDEUDFJDNQOSKZ-HNNXBMFYSA-N 2 2 392.504 0.346 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(O)c(F)c3)CC2)C1=O ZINC001186218153 1205936945 /nfs/dbraw/zinc/93/69/45/1205936945.db2.gz FVLDBTABYARWRX-UHFFFAOYSA-N 2 2 392.475 0.842 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(O)c(F)c3)CC2)C1=O ZINC001186218153 1205936946 /nfs/dbraw/zinc/93/69/46/1205936946.db2.gz FVLDBTABYARWRX-UHFFFAOYSA-N 2 2 392.475 0.842 20 0 GCADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001186269403 1205937294 /nfs/dbraw/zinc/93/72/94/1205937294.db2.gz QRWOBKRJWAGJOF-UHFFFAOYSA-N 2 2 376.473 0.821 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417034 1206014648 /nfs/dbraw/zinc/01/46/48/1206014648.db2.gz GVWVGOBQBGKAIS-LVQVYYBASA-N 2 2 381.521 0.136 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417034 1206014651 /nfs/dbraw/zinc/01/46/51/1206014651.db2.gz GVWVGOBQBGKAIS-LVQVYYBASA-N 2 2 381.521 0.136 20 0 GCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417034 1206014655 /nfs/dbraw/zinc/01/46/55/1206014655.db2.gz GVWVGOBQBGKAIS-LVQVYYBASA-N 2 2 381.521 0.136 20 0 GCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417034 1206014658 /nfs/dbraw/zinc/01/46/58/1206014658.db2.gz GVWVGOBQBGKAIS-LVQVYYBASA-N 2 2 381.521 0.136 20 0 GCADLP CCCn1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001189819064 1206016959 /nfs/dbraw/zinc/01/69/59/1206016959.db2.gz QZHBLXWDMYLSAV-UHFFFAOYSA-N 2 2 390.532 0.604 20 0 GCADLP CCCn1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001189819064 1206016963 /nfs/dbraw/zinc/01/69/63/1206016963.db2.gz QZHBLXWDMYLSAV-UHFFFAOYSA-N 2 2 390.532 0.604 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435235 1206055364 /nfs/dbraw/zinc/05/53/64/1206055364.db2.gz VAFGHKJZVUJWSQ-HOTGVXAUSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435235 1206055367 /nfs/dbraw/zinc/05/53/67/1206055367.db2.gz VAFGHKJZVUJWSQ-HOTGVXAUSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435235 1206055371 /nfs/dbraw/zinc/05/53/71/1206055371.db2.gz VAFGHKJZVUJWSQ-HOTGVXAUSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435235 1206055375 /nfs/dbraw/zinc/05/53/75/1206055375.db2.gz VAFGHKJZVUJWSQ-HOTGVXAUSA-N 2 2 399.536 0.557 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CC[NH2+]CC2 ZINC001164697353 719839008 /nfs/dbraw/zinc/83/90/08/719839008.db2.gz CSHBFCYBOJXULW-YWZLYKJASA-N 2 2 389.500 0.398 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001164697790 719861285 /nfs/dbraw/zinc/86/12/85/719861285.db2.gz AQHFNMCWBPECGR-KXBFYZLASA-N 2 2 375.473 0.355 20 0 GCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(C2C[NH2+]C2)n1 ZINC001164702816 719880632 /nfs/dbraw/zinc/88/06/32/719880632.db2.gz QZIKJPDKBNKOHX-OXJNMPFZSA-N 2 2 389.500 0.705 20 0 GCADLP Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cn1 ZINC001164712316 720072924 /nfs/dbraw/zinc/07/29/24/720072924.db2.gz OOSGSTJAMSMVDK-IRXDYDNUSA-N 2 2 381.484 0.951 20 0 GCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001164821874 720451305 /nfs/dbraw/zinc/45/13/05/720451305.db2.gz AALXHJOIMBERHQ-MRXNPFEDSA-N 2 2 399.499 0.266 20 0 GCADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4[nH]cc(C(=O)OC)c43)CC[C@@H]2C1 ZINC001164854072 720862236 /nfs/dbraw/zinc/86/22/36/720862236.db2.gz IVKQNSRLNFICIF-UKRRQHHQSA-N 2 2 389.456 0.918 20 0 GCADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4[nH]cc(C(=O)OC)c43)CC[C@@H]2C1 ZINC001164854072 720862238 /nfs/dbraw/zinc/86/22/38/720862238.db2.gz IVKQNSRLNFICIF-UKRRQHHQSA-N 2 2 389.456 0.918 20 0 GCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001164927927 721876183 /nfs/dbraw/zinc/87/61/83/721876183.db2.gz XFWFYEAZTIOTMP-ROUUACIJSA-N 2 2 387.532 0.131 20 0 GCADLP CN(CC1CC[NH+](C)CC1)c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001165040831 721931382 /nfs/dbraw/zinc/93/13/82/721931382.db2.gz PJFGSDSAHCVRDR-UHFFFAOYSA-N 2 2 391.520 0.323 20 0 GCADLP CN(CC1CC[NH+](C)CC1)c1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001165040831 721931386 /nfs/dbraw/zinc/93/13/86/721931386.db2.gz PJFGSDSAHCVRDR-UHFFFAOYSA-N 2 2 391.520 0.323 20 0 GCADLP Cn1cc(N2C[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3C2=O)cn1 ZINC001164980231 722095069 /nfs/dbraw/zinc/09/50/69/722095069.db2.gz LTKKJZDVFQSHIP-DOTOQJQBSA-N 2 2 381.484 0.666 20 0 GCADLP O=C(NC[C@@H]1CC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F)C12CC[NH+](CC1)C2 ZINC001571260422 945414029 /nfs/dbraw/zinc/41/40/29/945414029.db2.gz SGLBZMPOUCCMEQ-HNNXBMFYSA-N 2 2 385.447 0.792 20 0 GCADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F)C12CC[NH+](CC1)C2 ZINC001571260422 945414037 /nfs/dbraw/zinc/41/40/37/945414037.db2.gz SGLBZMPOUCCMEQ-HNNXBMFYSA-N 2 2 385.447 0.792 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001571264206 945477363 /nfs/dbraw/zinc/47/73/63/945477363.db2.gz IRCOOIOSAMOWTP-KRWDZBQOSA-N 2 2 385.472 0.278 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001571264206 945477372 /nfs/dbraw/zinc/47/73/72/945477372.db2.gz IRCOOIOSAMOWTP-KRWDZBQOSA-N 2 2 385.472 0.278 20 0 GCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264399 945481412 /nfs/dbraw/zinc/48/14/12/945481412.db2.gz NWPSJONYVKMPPZ-IRXDYDNUSA-N 2 2 385.472 0.278 20 0 GCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264399 945481418 /nfs/dbraw/zinc/48/14/18/945481418.db2.gz NWPSJONYVKMPPZ-IRXDYDNUSA-N 2 2 385.472 0.278 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264399 945481423 /nfs/dbraw/zinc/48/14/23/945481423.db2.gz NWPSJONYVKMPPZ-IRXDYDNUSA-N 2 2 385.472 0.278 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264399 945481429 /nfs/dbraw/zinc/48/14/29/945481429.db2.gz NWPSJONYVKMPPZ-IRXDYDNUSA-N 2 2 385.472 0.278 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001571272253 945659023 /nfs/dbraw/zinc/65/90/23/945659023.db2.gz BWFCBEDRXUJPJY-BBRMVZONSA-N 2 2 386.460 0.067 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001571272253 945659028 /nfs/dbraw/zinc/65/90/28/945659028.db2.gz BWFCBEDRXUJPJY-BBRMVZONSA-N 2 2 386.460 0.067 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571283447 945886988 /nfs/dbraw/zinc/88/69/88/945886988.db2.gz GFJWTMHRQLLDSU-UHFFFAOYSA-N 2 2 387.492 0.158 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571283447 945886997 /nfs/dbraw/zinc/88/69/97/945886997.db2.gz GFJWTMHRQLLDSU-UHFFFAOYSA-N 2 2 387.492 0.158 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571293289 946101748 /nfs/dbraw/zinc/10/17/48/946101748.db2.gz DHRJUDSECIINTN-XJKSGUPXSA-N 2 2 389.435 0.027 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571293289 946101750 /nfs/dbraw/zinc/10/17/50/946101750.db2.gz DHRJUDSECIINTN-XJKSGUPXSA-N 2 2 389.435 0.027 20 0 GCADLP O=C(NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001571316898 946592004 /nfs/dbraw/zinc/59/20/04/946592004.db2.gz PHTOAAJOBNVHPV-QGZVFWFLSA-N 2 2 392.467 0.874 20 0 GCADLP O=C(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCOCC1 ZINC000826412321 948252140 /nfs/dbraw/zinc/25/21/40/948252140.db2.gz KEEQAPHBBDDENO-UHFFFAOYSA-N 2 2 385.472 0.280 20 0 GCADLP C[C@@H](C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573720735 948535657 /nfs/dbraw/zinc/53/56/57/948535657.db2.gz SKUKCPPSNAFRPV-CYBMUJFWSA-N 2 2 384.488 0.722 20 0 GCADLP CC(C)[C@H](F)C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574081985 948847442 /nfs/dbraw/zinc/84/74/42/948847442.db2.gz YXUCLVHRYAEDEQ-INIZCTEOSA-N 2 2 390.467 0.670 20 0 GCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574920098 948884885 /nfs/dbraw/zinc/88/48/85/948884885.db2.gz CDNGPBPSJRUILS-GFCCVEGCSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574713909 949618936 /nfs/dbraw/zinc/61/89/36/949618936.db2.gz ZIOIHWDPOMCENE-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574713909 949618948 /nfs/dbraw/zinc/61/89/48/949618948.db2.gz ZIOIHWDPOMCENE-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574713910 949620324 /nfs/dbraw/zinc/62/03/24/949620324.db2.gz ZIOIHWDPOMCENE-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574713910 949620332 /nfs/dbraw/zinc/62/03/32/949620332.db2.gz ZIOIHWDPOMCENE-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171030 949748638 /nfs/dbraw/zinc/74/86/38/949748638.db2.gz OXTUJWRLUGYYGQ-PBHICJAKSA-N 2 2 384.488 0.818 20 0 GCADLP C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574496514 950215013 /nfs/dbraw/zinc/21/50/13/950215013.db2.gz XDVDBDLATIIRFN-NEPJUHHUSA-N 2 2 390.473 0.343 20 0 GCADLP C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575901842 950240454 /nfs/dbraw/zinc/24/04/54/950240454.db2.gz QQQYPLUQNMJNTK-BLLLJJGKSA-N 2 2 384.419 0.982 20 0 GCADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001574157865 950260607 /nfs/dbraw/zinc/26/06/07/950260607.db2.gz KIXBLUUYYQLOSI-CYBMUJFWSA-N 2 2 383.460 0.603 20 0 GCADLP C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574498333 950268254 /nfs/dbraw/zinc/26/82/54/950268254.db2.gz MGPXYNMWDOWPEY-XJKSGUPXSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575907558 950340291 /nfs/dbraw/zinc/34/02/91/950340291.db2.gz PDGSYCFPOGVDOA-RISCZKNCSA-N 2 2 386.485 0.983 20 0 GCADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575908590 950371014 /nfs/dbraw/zinc/37/10/14/950371014.db2.gz VOTAGXNWVMMFEG-MLGOLLRUSA-N 2 2 384.419 0.982 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205848 950541985 /nfs/dbraw/zinc/54/19/85/950541985.db2.gz QIWPUXNPVYJFNQ-GJZGRUSLSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205848 950542002 /nfs/dbraw/zinc/54/20/02/950542002.db2.gz QIWPUXNPVYJFNQ-GJZGRUSLSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576213855 950651069 /nfs/dbraw/zinc/65/10/69/950651069.db2.gz JMQSMHBDCGJIRM-YXPYIKCWSA-N 2 2 382.472 0.829 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576213855 950651078 /nfs/dbraw/zinc/65/10/78/950651078.db2.gz JMQSMHBDCGJIRM-YXPYIKCWSA-N 2 2 382.472 0.829 20 0 GCADLP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1c[nH+]cn1C ZINC001575926776 950722792 /nfs/dbraw/zinc/72/27/92/950722792.db2.gz LVWSNIQFZGYPDG-SWLSCSKDSA-N 2 2 381.444 0.451 20 0 GCADLP C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001574771348 950916757 /nfs/dbraw/zinc/91/67/57/950916757.db2.gz BSVWQEMKUVLBAI-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001574771348 950916763 /nfs/dbraw/zinc/91/67/63/950916763.db2.gz BSVWQEMKUVLBAI-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574771348 950916778 /nfs/dbraw/zinc/91/67/78/950916778.db2.gz BSVWQEMKUVLBAI-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574771348 950916787 /nfs/dbraw/zinc/91/67/87/950916787.db2.gz BSVWQEMKUVLBAI-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575079921 951699590 /nfs/dbraw/zinc/69/95/90/951699590.db2.gz SXTRVXCAPXEMQG-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575079921 951699591 /nfs/dbraw/zinc/69/95/91/951699591.db2.gz SXTRVXCAPXEMQG-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575098109 951819911 /nfs/dbraw/zinc/81/99/11/951819911.db2.gz ASJZSTDUZIXEJK-DGCLKSJQSA-N 2 2 379.490 0.195 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575098109 951819915 /nfs/dbraw/zinc/81/99/15/951819915.db2.gz ASJZSTDUZIXEJK-DGCLKSJQSA-N 2 2 379.490 0.195 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101560 951861838 /nfs/dbraw/zinc/86/18/38/951861838.db2.gz HOJAPQXUWGIKOW-GFCCVEGCSA-N 2 2 386.435 0.824 20 0 GCADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102993 951872181 /nfs/dbraw/zinc/87/21/81/951872181.db2.gz PZLCAKNTQCENEK-WBMJQRKESA-N 2 2 391.451 0.178 20 0 GCADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102993 951872189 /nfs/dbraw/zinc/87/21/89/951872189.db2.gz PZLCAKNTQCENEK-WBMJQRKESA-N 2 2 391.451 0.178 20 0 GCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001575147406 952200192 /nfs/dbraw/zinc/20/01/92/952200192.db2.gz SLYOMGCNLVLNHU-JHJVBQTASA-N 2 2 381.444 0.480 20 0 GCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166610 952763327 /nfs/dbraw/zinc/76/33/27/952763327.db2.gz NSVLWEQKPMJOFC-CXAGYDPISA-N 2 2 380.456 0.779 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571187765 952910641 /nfs/dbraw/zinc/91/06/41/952910641.db2.gz BSKAOFVFBZGWST-CQSZACIVSA-N 2 2 381.444 0.458 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571188362 952913194 /nfs/dbraw/zinc/91/31/94/952913194.db2.gz JIIXJNIUDNXZPD-UHFFFAOYSA-N 2 2 381.444 0.814 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001571189025 952922532 /nfs/dbraw/zinc/92/25/32/952922532.db2.gz PUOMDFRIPYPHTR-DZGCQCFKSA-N 2 2 381.444 0.598 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571189511 952931020 /nfs/dbraw/zinc/93/10/20/952931020.db2.gz WOMDJZPIMANOEL-AWEZNQCLSA-N 2 2 381.444 0.682 20 0 GCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000275246412 530309041 /nfs/dbraw/zinc/30/90/41/530309041.db2.gz OFVWHNHIVQVDBA-UHFFFAOYSA-N 2 2 398.305 0.879 20 0 GCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000275246412 530309042 /nfs/dbraw/zinc/30/90/42/530309042.db2.gz OFVWHNHIVQVDBA-UHFFFAOYSA-N 2 2 398.305 0.879 20 0 GCADLP C[N@H+](CCOCC[NH3+])CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000629580518 530583080 /nfs/dbraw/zinc/58/30/80/530583080.db2.gz WUMJYSXWEWBCFJ-AWEZNQCLSA-N 2 2 389.543 0.171 20 0 GCADLP C[N@@H+](CCOCC[NH3+])CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000629580518 530583083 /nfs/dbraw/zinc/58/30/83/530583083.db2.gz WUMJYSXWEWBCFJ-AWEZNQCLSA-N 2 2 389.543 0.171 20 0 GCADLP O=S(=O)(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000629579135 530581742 /nfs/dbraw/zinc/58/17/42/530581742.db2.gz ZCWOOQXGGYHTBB-ZDUSSCGKSA-N 2 2 379.885 0.804 20 0 GCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639349174 530588531 /nfs/dbraw/zinc/58/85/31/530588531.db2.gz MMYSZKRRTILMBN-ZDUSSCGKSA-N 2 2 381.278 0.921 20 0 GCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639349174 530588533 /nfs/dbraw/zinc/58/85/33/530588533.db2.gz MMYSZKRRTILMBN-ZDUSSCGKSA-N 2 2 381.278 0.921 20 0 GCADLP C[NH+](C)C1CN(S(=O)(=O)c2ccc(S(=O)(=O)Nc3c[nH+]c[nH]3)cc2)C1 ZINC000576647493 530610959 /nfs/dbraw/zinc/61/09/59/530610959.db2.gz FGRKIVOXFYJWOW-UHFFFAOYSA-N 2 2 385.471 0.145 20 0 GCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053269 530586501 /nfs/dbraw/zinc/58/65/01/530586501.db2.gz ARABTGVPTMKPTK-OCCSQVGLSA-N 2 2 385.295 0.896 20 0 GCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053269 530586503 /nfs/dbraw/zinc/58/65/03/530586503.db2.gz ARABTGVPTMKPTK-OCCSQVGLSA-N 2 2 385.295 0.896 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053267 530586586 /nfs/dbraw/zinc/58/65/86/530586586.db2.gz ARABTGVPTMKPTK-GXTWGEPZSA-N 2 2 385.295 0.896 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053267 530586590 /nfs/dbraw/zinc/58/65/90/530586590.db2.gz ARABTGVPTMKPTK-GXTWGEPZSA-N 2 2 385.295 0.896 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769720 530624586 /nfs/dbraw/zinc/62/45/86/530624586.db2.gz UMSFBTGMQLEZGJ-RBSFLKMASA-N 2 2 393.285 0.798 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769720 530624588 /nfs/dbraw/zinc/62/45/88/530624588.db2.gz UMSFBTGMQLEZGJ-RBSFLKMASA-N 2 2 393.285 0.798 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CC3CCC(F)(F)CC3)CC2)CC1 ZINC000459292507 530636004 /nfs/dbraw/zinc/63/60/04/530636004.db2.gz FFEHTDRCAWJBBN-UHFFFAOYSA-N 2 2 380.505 0.922 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000463341368 530656861 /nfs/dbraw/zinc/65/68/61/530656861.db2.gz VWPDXUBGXQZOEO-UHFFFAOYSA-N 2 2 387.571 0.960 20 0 GCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCn2cc(Br)ccc2=O)C[C@@H](C)O1 ZINC000581880233 530763705 /nfs/dbraw/zinc/76/37/05/530763705.db2.gz YBOSZUJCMAFVNC-UMVBOHGHSA-N 2 2 388.306 0.671 20 0 GCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000373275948 530779080 /nfs/dbraw/zinc/77/90/80/530779080.db2.gz TWLXHEZFNWJJHN-MRXNPFEDSA-N 2 2 375.535 0.224 20 0 GCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000373275948 530779084 /nfs/dbraw/zinc/77/90/84/530779084.db2.gz TWLXHEZFNWJJHN-MRXNPFEDSA-N 2 2 375.535 0.224 20 0 GCADLP O=c1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)nc2ccc(Br)cn12 ZINC000392681079 530799852 /nfs/dbraw/zinc/79/98/52/530799852.db2.gz SHBQMNIJKJECLK-HNNXBMFYSA-N 2 2 392.301 0.937 20 0 GCADLP CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653063104 530862753 /nfs/dbraw/zinc/86/27/53/530862753.db2.gz XFPFYHLPOJRIJS-ZDUSSCGKSA-N 2 2 376.548 0.674 20 0 GCADLP CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCC[NH+](C)C ZINC000631682387 530945554 /nfs/dbraw/zinc/94/55/54/530945554.db2.gz FCAVEUNWHDQHIP-HNNXBMFYSA-N 2 2 383.580 0.099 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)[nH+]c12 ZINC000419046595 530953235 /nfs/dbraw/zinc/95/32/35/530953235.db2.gz VZMDBJJYHOADDW-GFCCVEGCSA-N 2 2 394.273 0.971 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419047290 530953327 /nfs/dbraw/zinc/95/33/27/530953327.db2.gz XQNRVVYZCIKTHY-UHFFFAOYSA-N 2 2 396.289 0.790 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)[nH+]c12 ZINC000419045890 530953477 /nfs/dbraw/zinc/95/34/77/530953477.db2.gz UGPXPJYPUUKLIG-LLVKDONJSA-N 2 2 394.273 0.842 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)[nH+]c12 ZINC000419042206 530953505 /nfs/dbraw/zinc/95/35/05/530953505.db2.gz LDXCUKKBPLNBTM-NSHDSACASA-N 2 2 380.246 0.500 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N3CC[NH2+]CC3)[nH+]c12 ZINC000419044271 530953621 /nfs/dbraw/zinc/95/36/21/530953621.db2.gz PMKIPLMDEWIAON-UHFFFAOYSA-N 2 2 394.273 0.496 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])[nH+]c12 ZINC000419043063 530953669 /nfs/dbraw/zinc/95/36/69/530953669.db2.gz MZCBIPAMZATXLL-JTQLQIEISA-N 2 2 396.289 0.775 20 0 GCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000420067817 530965465 /nfs/dbraw/zinc/96/54/65/530965465.db2.gz TYNVJHILEBSEEJ-GFCCVEGCSA-N 2 2 380.246 0.567 20 0 GCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262696635 530998648 /nfs/dbraw/zinc/99/86/48/530998648.db2.gz DXXCRFXPMMHXTG-AWEZNQCLSA-N 2 2 377.576 0.616 20 0 GCADLP O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1F ZINC000423099254 531016728 /nfs/dbraw/zinc/01/67/28/531016728.db2.gz LUTZIFFEBRVPRG-GOEBONIOSA-N 2 2 375.441 0.600 20 0 GCADLP [NH3+][C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1Br ZINC000662527142 531021808 /nfs/dbraw/zinc/02/18/08/531021808.db2.gz RDDISBMXDOGTRZ-OAHLLOKOSA-N 2 2 399.289 0.014 20 0 GCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000659926493 530999071 /nfs/dbraw/zinc/99/90/71/530999071.db2.gz MCAYKLKQWGNGSF-AWEZNQCLSA-N 2 2 389.484 0.976 20 0 GCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000659926493 530999072 /nfs/dbraw/zinc/99/90/72/530999072.db2.gz MCAYKLKQWGNGSF-AWEZNQCLSA-N 2 2 389.484 0.976 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)CC1 ZINC000546622982 531092841 /nfs/dbraw/zinc/09/28/41/531092841.db2.gz XSFKLOWJTACRRA-GDBMZVCRSA-N 2 2 375.535 0.712 20 0 GCADLP CC[N@@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000565228030 531180825 /nfs/dbraw/zinc/18/08/25/531180825.db2.gz DHLTZFYTRKFSAH-UHFFFAOYSA-N 2 2 393.535 0.289 20 0 GCADLP CC[N@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000565228030 531180828 /nfs/dbraw/zinc/18/08/28/531180828.db2.gz DHLTZFYTRKFSAH-UHFFFAOYSA-N 2 2 393.535 0.289 20 0 GCADLP C[NH+](C)C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)c2ccccc2O1 ZINC000359879867 209199362 /nfs/dbraw/zinc/19/93/62/209199362.db2.gz ZMOSQLRRWVTHBX-INIZCTEOSA-N 2 2 383.514 0.868 20 0 GCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736800566 599080545 /nfs/dbraw/zinc/08/05/45/599080545.db2.gz MXQPHJWVRMVPDO-QGZVFWFLSA-N 2 2 390.488 0.385 20 0 GCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736800566 599080549 /nfs/dbraw/zinc/08/05/49/599080549.db2.gz MXQPHJWVRMVPDO-QGZVFWFLSA-N 2 2 390.488 0.385 20 0 GCADLP C[N@H+](CCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000736800316 598784073 /nfs/dbraw/zinc/78/40/73/598784073.db2.gz JWFLMZPKOMFZNQ-UHFFFAOYSA-N 2 2 384.488 0.788 20 0 GCADLP C[N@@H+](CCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000736800316 598784074 /nfs/dbraw/zinc/78/40/74/598784074.db2.gz JWFLMZPKOMFZNQ-UHFFFAOYSA-N 2 2 384.488 0.788 20 0 GCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826038616 608087285 /nfs/dbraw/zinc/08/72/85/608087285.db2.gz RKFZASHJDXGUMQ-UHFFFAOYSA-N 2 2 378.506 0.436 20 0 GCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826038616 608087286 /nfs/dbraw/zinc/08/72/86/608087286.db2.gz RKFZASHJDXGUMQ-UHFFFAOYSA-N 2 2 378.506 0.436 20 0 GCADLP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@H+](C)[C@H]2CCSC2)c1-c1nn[nH]n1 ZINC000826077742 608113892 /nfs/dbraw/zinc/11/38/92/608113892.db2.gz STCQWTMYUYACJU-JTQLQIEISA-N 2 2 379.494 0.118 20 0 GCADLP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c1-c1nn[nH]n1 ZINC000826077742 608113893 /nfs/dbraw/zinc/11/38/93/608113893.db2.gz STCQWTMYUYACJU-JTQLQIEISA-N 2 2 379.494 0.118 20 0 GCADLP C[C@@H](C[NH2+]Cc1c(I)cnn1C)N1CC[NH+](C)CC1 ZINC000894242449 638684836 /nfs/dbraw/zinc/68/48/36/638684836.db2.gz LTOKXMBPJYJSDP-NSHDSACASA-N 2 2 377.274 0.750 20 0 GCADLP Cc1[nH]nc(I)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000898668667 639242951 /nfs/dbraw/zinc/24/29/51/639242951.db2.gz JHPYYHHDXCMCJF-UHFFFAOYSA-N 2 2 393.273 0.936 20 0 GCADLP Cc1[nH]nc(I)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000898668667 639242957 /nfs/dbraw/zinc/24/29/57/639242957.db2.gz JHPYYHHDXCMCJF-UHFFFAOYSA-N 2 2 393.273 0.936 20 0 GCADLP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000923490532 640139332 /nfs/dbraw/zinc/13/93/32/640139332.db2.gz VBYLBOISKUQVOV-LSDHHAIUSA-N 2 2 385.555 0.935 20 0 GCADLP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000923490532 640139336 /nfs/dbraw/zinc/13/93/36/640139336.db2.gz VBYLBOISKUQVOV-LSDHHAIUSA-N 2 2 385.555 0.935 20 0 GCADLP C[NH+](C)[C@]1(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCSC1 ZINC000748634570 640328481 /nfs/dbraw/zinc/32/84/81/640328481.db2.gz ZARRIAJOOQTTGT-INIZCTEOSA-N 2 2 392.591 0.232 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000839674344 640510108 /nfs/dbraw/zinc/51/01/08/640510108.db2.gz MTDQPVJBNKWPBB-BDXSIMOUSA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000839674344 640510115 /nfs/dbraw/zinc/51/01/15/640510115.db2.gz MTDQPVJBNKWPBB-BDXSIMOUSA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000839674353 640510453 /nfs/dbraw/zinc/51/04/53/640510453.db2.gz MTDQPVJBNKWPBB-MHORFTMASA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000839674353 640510460 /nfs/dbraw/zinc/51/04/60/640510460.db2.gz MTDQPVJBNKWPBB-MHORFTMASA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[N@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@@H](CO)[C@@H]1C ZINC000839674353 640510463 /nfs/dbraw/zinc/51/04/63/640510463.db2.gz MTDQPVJBNKWPBB-MHORFTMASA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[N@@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@@H](CO)[C@@H]1C ZINC000839674353 640510466 /nfs/dbraw/zinc/51/04/66/640510466.db2.gz MTDQPVJBNKWPBB-MHORFTMASA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000775150784 641067004 /nfs/dbraw/zinc/06/70/04/641067004.db2.gz KUAZKTKNCIRNLD-GFCCVEGCSA-N 2 2 391.343 0.971 20 0 GCADLP Cn1nc(I)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000869242307 641419975 /nfs/dbraw/zinc/41/99/75/641419975.db2.gz IQLGDAHQGCGQOV-UHFFFAOYSA-N 2 2 393.273 0.638 20 0 GCADLP Cn1nc(I)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000869242307 641419980 /nfs/dbraw/zinc/41/99/80/641419980.db2.gz IQLGDAHQGCGQOV-UHFFFAOYSA-N 2 2 393.273 0.638 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870909165 641446894 /nfs/dbraw/zinc/44/68/94/641446894.db2.gz BAVAOFXVPIOGHQ-LSDHHAIUSA-N 2 2 386.290 0.600 20 0 GCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811879814 641763136 /nfs/dbraw/zinc/76/31/36/641763136.db2.gz WMCQNFBQIOOYTJ-HNNXBMFYSA-N 2 2 376.567 0.915 20 0 GCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811879814 641763138 /nfs/dbraw/zinc/76/31/38/641763138.db2.gz WMCQNFBQIOOYTJ-HNNXBMFYSA-N 2 2 376.567 0.915 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884427376 641784033 /nfs/dbraw/zinc/78/40/33/641784033.db2.gz UEUUWCORTRQQCC-CABCVRRESA-N 2 2 386.290 0.600 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@@H](CO)CC1)CC[N@H+]1CCC[C@@H](CO)CC1 ZINC000815272331 641826305 /nfs/dbraw/zinc/82/63/05/641826305.db2.gz NKRJYCLUMKVLGV-QZTJIDSGSA-N 2 2 376.563 0.590 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@@H](CO)CC1)CC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000815272331 641826310 /nfs/dbraw/zinc/82/63/10/641826310.db2.gz NKRJYCLUMKVLGV-QZTJIDSGSA-N 2 2 376.563 0.590 20 0 GCADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817965420 641892788 /nfs/dbraw/zinc/89/27/88/641892788.db2.gz PZCFDBVBLGTTMY-XHDPSFHLSA-N 2 2 375.516 0.800 20 0 GCADLP C[C@H]1C[N@H+](CCS(=O)(=O)CC[NH+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@@]1(C)CO ZINC000852702121 642770736 /nfs/dbraw/zinc/77/07/36/642770736.db2.gz HJGSIHPXJPQLJS-USTZCAOPSA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[N@@H+](CCS(=O)(=O)CC[NH+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@@]1(C)CO ZINC000852702121 642770742 /nfs/dbraw/zinc/77/07/42/642770742.db2.gz HJGSIHPXJPQLJS-USTZCAOPSA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@@]1(C)CO ZINC000852702121 642770746 /nfs/dbraw/zinc/77/07/46/642770746.db2.gz HJGSIHPXJPQLJS-USTZCAOPSA-N 2 2 376.563 0.302 20 0 GCADLP C[C@H]1C[NH+](CCS(=O)(=O)CC[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@@]1(C)CO ZINC000852702121 642770748 /nfs/dbraw/zinc/77/07/48/642770748.db2.gz HJGSIHPXJPQLJS-USTZCAOPSA-N 2 2 376.563 0.302 20 0 GCADLP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351240 1192202426 /nfs/dbraw/zinc/20/24/26/1192202426.db2.gz PWUYNERXLCWVPU-KSSFIOAISA-N 2 2 378.498 0.284 20 0 GCADLP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351240 1192202429 /nfs/dbraw/zinc/20/24/29/1192202429.db2.gz PWUYNERXLCWVPU-KSSFIOAISA-N 2 2 378.498 0.284 20 0 GCADLP CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370545 1192205916 /nfs/dbraw/zinc/20/59/16/1192205916.db2.gz CAEFKLKETLMXID-CVEARBPZSA-N 2 2 380.537 0.600 20 0 GCADLP CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370545 1192205919 /nfs/dbraw/zinc/20/59/19/1192205919.db2.gz CAEFKLKETLMXID-CVEARBPZSA-N 2 2 380.537 0.600 20 0 GCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000909397661 1192227025 /nfs/dbraw/zinc/22/70/25/1192227025.db2.gz ZMFMINPXTOHUGS-KRWDZBQOSA-N 2 2 382.549 0.794 20 0 GCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000909397661 1192227029 /nfs/dbraw/zinc/22/70/29/1192227029.db2.gz ZMFMINPXTOHUGS-KRWDZBQOSA-N 2 2 382.549 0.794 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000670814344 1192238776 /nfs/dbraw/zinc/23/87/76/1192238776.db2.gz PKSRTGVTVDVSDF-ROUUACIJSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336475 1192284463 /nfs/dbraw/zinc/28/44/63/1192284463.db2.gz XVRQQMAIQMOXMD-HUUCEWRRSA-N 2 2 384.488 0.816 20 0 GCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336475 1192284465 /nfs/dbraw/zinc/28/44/65/1192284465.db2.gz XVRQQMAIQMOXMD-HUUCEWRRSA-N 2 2 384.488 0.816 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662671024 1192325576 /nfs/dbraw/zinc/32/55/76/1192325576.db2.gz KCMXUYQMIKPYCX-OAHLLOKOSA-N 2 2 383.378 0.554 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)CO1 ZINC000663587971 1192404359 /nfs/dbraw/zinc/40/43/59/1192404359.db2.gz CLCXBSMKQFOMKZ-IAGOWNOFSA-N 2 2 390.532 0.742 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)CO1 ZINC000663587971 1192404362 /nfs/dbraw/zinc/40/43/62/1192404362.db2.gz CLCXBSMKQFOMKZ-IAGOWNOFSA-N 2 2 390.532 0.742 20 0 GCADLP Cc1c(NC[C@@H]2C[NH+](C)CCN2C)ncnc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000663589535 1192405900 /nfs/dbraw/zinc/40/59/00/1192405900.db2.gz DUKBDRACXJZYGM-IAGOWNOFSA-N 2 2 376.553 0.100 20 0 GCADLP Cc1c(NC[C@@H]2C[NH+](C)CCN2C)ncnc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000663589535 1192405904 /nfs/dbraw/zinc/40/59/04/1192405904.db2.gz DUKBDRACXJZYGM-IAGOWNOFSA-N 2 2 376.553 0.100 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153218803 1192412716 /nfs/dbraw/zinc/41/27/16/1192412716.db2.gz NANYKBCLMIZJGF-IAGOWNOFSA-N 2 2 386.500 0.608 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153218803 1192412723 /nfs/dbraw/zinc/41/27/23/1192412723.db2.gz NANYKBCLMIZJGF-IAGOWNOFSA-N 2 2 386.500 0.608 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663611668 1192417416 /nfs/dbraw/zinc/41/74/16/1192417416.db2.gz MATJHQFUWGTCSK-HXUWFJFHSA-N 2 2 387.484 0.157 20 0 GCADLP C[NH+](C)Cc1cnc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)s1 ZINC000512086448 1192433338 /nfs/dbraw/zinc/43/33/38/1192433338.db2.gz DRQLHLVJEWSJGL-UHFFFAOYSA-N 2 2 389.529 0.823 20 0 GCADLP C[C@H](c1nc(-c2nc[nH]n2)no1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001167845453 1192447677 /nfs/dbraw/zinc/44/76/77/1192447677.db2.gz VIWOOVZBROBQNX-CYBMUJFWSA-N 2 2 388.476 0.792 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C[C@H](C)[NH3+])cc2)CC1 ZINC000261896185 1192488599 /nfs/dbraw/zinc/48/85/99/1192488599.db2.gz UMEBGJCNQLUPMG-INIZCTEOSA-N 2 2 376.501 0.626 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663722759 1192515440 /nfs/dbraw/zinc/51/54/40/1192515440.db2.gz LNSGADZGJRAGPJ-INIZCTEOSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663722759 1192515442 /nfs/dbraw/zinc/51/54/42/1192515442.db2.gz LNSGADZGJRAGPJ-INIZCTEOSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663722759 1192515448 /nfs/dbraw/zinc/51/54/48/1192515448.db2.gz LNSGADZGJRAGPJ-INIZCTEOSA-N 2 2 388.516 0.571 20 0 GCADLP CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000663778355 1192573543 /nfs/dbraw/zinc/57/35/43/1192573543.db2.gz HWEPPKZSLHEMGC-HNNXBMFYSA-N 2 2 399.561 0.838 20 0 GCADLP CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000663778355 1192573545 /nfs/dbraw/zinc/57/35/45/1192573545.db2.gz HWEPPKZSLHEMGC-HNNXBMFYSA-N 2 2 399.561 0.838 20 0 GCADLP Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000613997620 1192602744 /nfs/dbraw/zinc/60/27/44/1192602744.db2.gz YVNUKZUCBDBEDR-RTBURBONSA-N 2 2 399.539 0.537 20 0 GCADLP O=C(CN1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000613997333 1192602918 /nfs/dbraw/zinc/60/29/18/1192602918.db2.gz WUKPCUWYYZUZPQ-HOTGVXAUSA-N 2 2 389.475 0.060 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623406 1192621378 /nfs/dbraw/zinc/62/13/78/1192621378.db2.gz XCZGGTAFSBUISI-UONOGXRCSA-N 2 2 381.443 0.185 20 0 GCADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000418660401 1192625004 /nfs/dbraw/zinc/62/50/04/1192625004.db2.gz YPKGXDYPUKXJCG-DOTOQJQBSA-N 2 2 377.489 0.076 20 0 GCADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000418660401 1192625006 /nfs/dbraw/zinc/62/50/06/1192625006.db2.gz YPKGXDYPUKXJCG-DOTOQJQBSA-N 2 2 377.489 0.076 20 0 GCADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000418660402 1192625133 /nfs/dbraw/zinc/62/51/33/1192625133.db2.gz YPKGXDYPUKXJCG-NVXWUHKLSA-N 2 2 377.489 0.076 20 0 GCADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000418660402 1192625137 /nfs/dbraw/zinc/62/51/37/1192625137.db2.gz YPKGXDYPUKXJCG-NVXWUHKLSA-N 2 2 377.489 0.076 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000418755504 1192639609 /nfs/dbraw/zinc/63/96/09/1192639609.db2.gz BVRLFNKZHYVWGR-GOSISDBHSA-N 2 2 378.473 0.390 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)c1 ZINC000418753251 1192639785 /nfs/dbraw/zinc/63/97/85/1192639785.db2.gz CYFXNBVUHQRUES-IBGZPJMESA-N 2 2 392.500 0.780 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)c1 ZINC000418759388 1192640792 /nfs/dbraw/zinc/64/07/92/1192640792.db2.gz JIRIHONKYKGHJB-KRWDZBQOSA-N 2 2 391.516 0.305 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418823685 1192656433 /nfs/dbraw/zinc/65/64/33/1192656433.db2.gz CGYDRQNFSUDQIJ-QXAKKESOSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418823685 1192656435 /nfs/dbraw/zinc/65/64/35/1192656435.db2.gz CGYDRQNFSUDQIJ-QXAKKESOSA-N 2 2 388.512 0.589 20 0 GCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833887 1192660124 /nfs/dbraw/zinc/66/01/24/1192660124.db2.gz OAJJUKZBDAZSEW-IBGZPJMESA-N 2 2 386.496 0.430 20 0 GCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833887 1192660125 /nfs/dbraw/zinc/66/01/25/1192660125.db2.gz OAJJUKZBDAZSEW-IBGZPJMESA-N 2 2 386.496 0.430 20 0 GCADLP C[C@]1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000418835145 1192660680 /nfs/dbraw/zinc/66/06/80/1192660680.db2.gz PNFMHRSUSBZYHH-NQIIRXRSSA-N 2 2 388.512 0.510 20 0 GCADLP C[C@]1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000418835145 1192660682 /nfs/dbraw/zinc/66/06/82/1192660682.db2.gz PNFMHRSUSBZYHH-NQIIRXRSSA-N 2 2 388.512 0.510 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]1C[NH3+] ZINC000418840934 1192663156 /nfs/dbraw/zinc/66/31/56/1192663156.db2.gz YQCMAGIMAHHANT-BHIYHBOVSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]1C[NH3+] ZINC000418840934 1192663160 /nfs/dbraw/zinc/66/31/60/1192663160.db2.gz YQCMAGIMAHHANT-BHIYHBOVSA-N 2 2 388.512 0.589 20 0 GCADLP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)cs1 ZINC000418854710 1192667559 /nfs/dbraw/zinc/66/75/59/1192667559.db2.gz LIBMJFUJDDTOER-CQSZACIVSA-N 2 2 393.557 0.854 20 0 GCADLP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)oc1C ZINC000418859588 1192671074 /nfs/dbraw/zinc/67/10/74/1192671074.db2.gz YENDOZSWWMYIBE-KBPBESRZSA-N 2 2 391.516 0.828 20 0 GCADLP C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000418916009 1192688107 /nfs/dbraw/zinc/68/81/07/1192688107.db2.gz QWZYZKSUAOYJRF-LPHOPBHVSA-N 2 2 388.512 0.721 20 0 GCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CCCC1 ZINC000418915686 1192688198 /nfs/dbraw/zinc/68/81/98/1192688198.db2.gz QKYVIWYHTDVYRW-LJQANCHMSA-N 2 2 388.512 0.769 20 0 GCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418918036 1192689543 /nfs/dbraw/zinc/68/95/43/1192689543.db2.gz VALBITBGERQZTO-VQIMIIECSA-N 2 2 388.512 0.769 20 0 GCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418932786 1192694623 /nfs/dbraw/zinc/69/46/23/1192694623.db2.gz AJXOZRAWQDYEHI-FVQBIDKESA-N 2 2 376.526 0.727 20 0 GCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418932786 1192694625 /nfs/dbraw/zinc/69/46/25/1192694625.db2.gz AJXOZRAWQDYEHI-FVQBIDKESA-N 2 2 376.526 0.727 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000663831440 1192695282 /nfs/dbraw/zinc/69/52/82/1192695282.db2.gz SDIKJOVFWPBWPO-SJORKVTESA-N 2 2 390.532 0.742 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000663831440 1192695286 /nfs/dbraw/zinc/69/52/86/1192695286.db2.gz SDIKJOVFWPBWPO-SJORKVTESA-N 2 2 390.532 0.742 20 0 GCADLP CO[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000418948406 1192699235 /nfs/dbraw/zinc/69/92/35/1192699235.db2.gz UCMHLNCHOAVFCI-CABCVRRESA-N 2 2 380.514 0.187 20 0 GCADLP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000418948406 1192699237 /nfs/dbraw/zinc/69/92/37/1192699237.db2.gz UCMHLNCHOAVFCI-CABCVRRESA-N 2 2 380.514 0.187 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCCC1 ZINC000418972883 1192706689 /nfs/dbraw/zinc/70/66/89/1192706689.db2.gz CUSNAQOFWOIRJD-KRWDZBQOSA-N 2 2 396.532 0.008 20 0 GCADLP O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000428039615 1192708053 /nfs/dbraw/zinc/70/80/53/1192708053.db2.gz SIGBUGDZBGNIKY-WOJBJXKFSA-N 2 2 384.524 0.950 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419019824 1192722491 /nfs/dbraw/zinc/72/24/91/1192722491.db2.gz DYHOOQLSTVXKIR-DOMZBBRYSA-N 2 2 389.431 0.857 20 0 GCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000509722771 1192780132 /nfs/dbraw/zinc/78/01/32/1192780132.db2.gz UQNBICFGNSQECN-UHFFFAOYSA-N 2 2 390.528 0.724 20 0 GCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000509722771 1192780136 /nfs/dbraw/zinc/78/01/36/1192780136.db2.gz UQNBICFGNSQECN-UHFFFAOYSA-N 2 2 390.528 0.724 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419100507 1192785638 /nfs/dbraw/zinc/78/56/38/1192785638.db2.gz GCOCAWVGJCJRAI-OAHLLOKOSA-N 2 2 395.935 0.692 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCOCC1 ZINC000419111526 1192790836 /nfs/dbraw/zinc/79/08/36/1192790836.db2.gz DGQFMGMLPFMEBB-QGZVFWFLSA-N 2 2 398.548 0.206 20 0 GCADLP CCCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000419111532 1192790993 /nfs/dbraw/zinc/79/09/93/1192790993.db2.gz DIXABAVQWKKYNK-SFHVURJKSA-N 2 2 382.549 0.840 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCOCC1 ZINC000419111556 1192791015 /nfs/dbraw/zinc/79/10/15/1192791015.db2.gz DNIBTYMBKPNZDI-ARFHVFGLSA-N 2 2 384.521 0.079 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[NH+]1CCOCC1 ZINC000419111558 1192791038 /nfs/dbraw/zinc/79/10/38/1192791038.db2.gz DNIBTYMBKPNZDI-OAGGEKHMSA-N 2 2 384.521 0.079 20 0 GCADLP CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000419111531 1192791137 /nfs/dbraw/zinc/79/11/37/1192791137.db2.gz DIXABAVQWKKYNK-GOSISDBHSA-N 2 2 382.549 0.840 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)[NH+]1CCOCC1 ZINC000419111557 1192791166 /nfs/dbraw/zinc/79/11/66/1192791166.db2.gz DNIBTYMBKPNZDI-BZUAXINKSA-N 2 2 384.521 0.079 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000419111539 1192791179 /nfs/dbraw/zinc/79/11/79/1192791179.db2.gz DKWCTLSKSVVEAQ-MLHJIOFPSA-N 2 2 380.533 0.435 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419105023 1192792298 /nfs/dbraw/zinc/79/22/98/1192792298.db2.gz MANWJFHIYNQJNG-OAHLLOKOSA-N 2 2 393.919 0.399 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCC1 ZINC000419121558 1192794407 /nfs/dbraw/zinc/79/44/07/1192794407.db2.gz AVAFUFIHRNEVJB-UHFFFAOYSA-N 2 2 390.484 0.011 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000419120660 1192795033 /nfs/dbraw/zinc/79/50/33/1192795033.db2.gz QZWDBPLVEIHINK-UKRRQHHQSA-N 2 2 375.473 0.527 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000419123401 1192795272 /nfs/dbraw/zinc/79/52/72/1192795272.db2.gz VVCUPXGMMBBNKJ-ZWKOTPCHSA-N 2 2 382.549 0.840 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000419124141 1192796217 /nfs/dbraw/zinc/79/62/17/1192796217.db2.gz WYMIIPHBCUMFFN-BRSBDYLESA-N 2 2 380.533 0.354 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000419115060 1192800351 /nfs/dbraw/zinc/80/03/51/1192800351.db2.gz JBYSTOXASHNQNO-KRWDZBQOSA-N 2 2 380.533 0.452 20 0 GCADLP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[NH+]1CCOCC1 ZINC000419117308 1192801617 /nfs/dbraw/zinc/80/16/17/1192801617.db2.gz MEIDQALFVTZVMH-PVAVHDDUSA-N 2 2 398.548 0.469 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000419116791 1192802041 /nfs/dbraw/zinc/80/20/41/1192802041.db2.gz LLDDBANFGARHKI-KRWDZBQOSA-N 2 2 380.533 0.452 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419149253 1192810200 /nfs/dbraw/zinc/81/02/00/1192810200.db2.gz KYSXONXHGULLRF-GOSISDBHSA-N 2 2 392.500 0.113 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419136710 1192809688 /nfs/dbraw/zinc/80/96/88/1192809688.db2.gz PMJRAXILJZEHCG-IAGOWNOFSA-N 2 2 388.516 0.048 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419136708 1192809920 /nfs/dbraw/zinc/80/99/20/1192809920.db2.gz PMJRAXILJZEHCG-DLBZAZTESA-N 2 2 388.516 0.048 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419139047 1192811948 /nfs/dbraw/zinc/81/19/48/1192811948.db2.gz UCRBLOTVYGTTBO-IRXDYDNUSA-N 2 2 390.532 0.198 20 0 GCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410697659 1192834834 /nfs/dbraw/zinc/83/48/34/1192834834.db2.gz LPTGQEJXBNLUMZ-KRWDZBQOSA-N 2 2 375.517 1.000 20 0 GCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410697659 1192834839 /nfs/dbraw/zinc/83/48/39/1192834839.db2.gz LPTGQEJXBNLUMZ-KRWDZBQOSA-N 2 2 375.517 1.000 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000549788632 1192882631 /nfs/dbraw/zinc/88/26/31/1192882631.db2.gz NAIAZMUEFCJYAZ-FGTMMUONSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000549788632 1192882638 /nfs/dbraw/zinc/88/26/38/1192882638.db2.gz NAIAZMUEFCJYAZ-FGTMMUONSA-N 2 2 380.533 0.545 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410728899 1192884409 /nfs/dbraw/zinc/88/44/09/1192884409.db2.gz GLUCCUQXGRBMPO-BDXSIMOUSA-N 2 2 382.549 0.885 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410728899 1192884415 /nfs/dbraw/zinc/88/44/15/1192884415.db2.gz GLUCCUQXGRBMPO-BDXSIMOUSA-N 2 2 382.549 0.885 20 0 GCADLP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410728899 1192884422 /nfs/dbraw/zinc/88/44/22/1192884422.db2.gz GLUCCUQXGRBMPO-BDXSIMOUSA-N 2 2 382.549 0.885 20 0 GCADLP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410728899 1192884431 /nfs/dbraw/zinc/88/44/31/1192884431.db2.gz GLUCCUQXGRBMPO-BDXSIMOUSA-N 2 2 382.549 0.885 20 0 GCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000663877554 1192917596 /nfs/dbraw/zinc/91/75/96/1192917596.db2.gz ZMIVPXDTYSLVKE-UHFFFAOYSA-N 3 2 396.580 0.206 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)CC2)CC1 ZINC000663877087 1192917606 /nfs/dbraw/zinc/91/76/06/1192917606.db2.gz QRZSAOXTZLLJFV-HXUWFJFHSA-N 3 2 393.576 0.786 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)CC2)CC1 ZINC000663877087 1192917608 /nfs/dbraw/zinc/91/76/08/1192917608.db2.gz QRZSAOXTZLLJFV-HXUWFJFHSA-N 3 2 393.576 0.786 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@@H](C)C1 ZINC000410939567 1192918189 /nfs/dbraw/zinc/91/81/89/1192918189.db2.gz VDZKJXKRSJETMG-DLBZAZTESA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@@H](C)C1 ZINC000410939567 1192918191 /nfs/dbraw/zinc/91/81/91/1192918191.db2.gz VDZKJXKRSJETMG-DLBZAZTESA-N 2 2 394.516 0.027 20 0 GCADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C[C@@H]1Cc1ccccc1 ZINC000410969047 1192921107 /nfs/dbraw/zinc/92/11/07/1192921107.db2.gz FINJJPVYGNADKB-AABGKKOBSA-N 2 2 384.524 0.924 20 0 GCADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C[C@@H]1Cc1ccccc1 ZINC000410969047 1192921109 /nfs/dbraw/zinc/92/11/09/1192921109.db2.gz FINJJPVYGNADKB-AABGKKOBSA-N 2 2 384.524 0.924 20 0 GCADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[N@H+](C)[C@@H](Cc4ccccc4)C3)[C@H]2C1 ZINC000410969047 1192921111 /nfs/dbraw/zinc/92/11/11/1192921111.db2.gz FINJJPVYGNADKB-AABGKKOBSA-N 2 2 384.524 0.924 20 0 GCADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)[C@H]2C1 ZINC000410969047 1192921112 /nfs/dbraw/zinc/92/11/12/1192921112.db2.gz FINJJPVYGNADKB-AABGKKOBSA-N 2 2 384.524 0.924 20 0 GCADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000579744061 1184125392 /nfs/dbraw/zinc/12/53/92/1184125392.db2.gz KUNNDAIGTKNOTD-TWMKSMIVSA-N 2 2 378.521 0.547 20 0 GCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000579749243 1184129517 /nfs/dbraw/zinc/12/95/17/1184129517.db2.gz NHPVYIYWKLRENX-ZWKOTPCHSA-N 2 2 392.544 0.833 20 0 GCADLP CC(C)[NH+]1CC(NC(=O)C(C)(C)OC(C)(C)C(=O)NC2C[NH+](C(C)C)C2)C1 ZINC000655051240 1184269941 /nfs/dbraw/zinc/26/99/41/1184269941.db2.gz QYUDCUGKMVEYTN-UHFFFAOYSA-N 2 2 382.549 0.978 20 0 GCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000471168005 1184319200 /nfs/dbraw/zinc/31/92/00/1184319200.db2.gz GCWIERHMUPXSIX-INIZCTEOSA-N 2 2 390.532 0.648 20 0 GCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000471168005 1184319209 /nfs/dbraw/zinc/31/92/09/1184319209.db2.gz GCWIERHMUPXSIX-INIZCTEOSA-N 2 2 390.532 0.648 20 0 GCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430263369 1184406667 /nfs/dbraw/zinc/40/66/67/1184406667.db2.gz VHAAJKVJOPIXQT-ROUUACIJSA-N 2 2 398.511 0.786 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867699 1184409482 /nfs/dbraw/zinc/40/94/82/1184409482.db2.gz JUMVGYWZPDFHFI-MAUKXSAKSA-N 2 2 381.480 0.907 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867699 1184409486 /nfs/dbraw/zinc/40/94/86/1184409486.db2.gz JUMVGYWZPDFHFI-MAUKXSAKSA-N 2 2 381.480 0.907 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867699 1184409489 /nfs/dbraw/zinc/40/94/89/1184409489.db2.gz JUMVGYWZPDFHFI-MAUKXSAKSA-N 2 2 381.480 0.907 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867699 1184409491 /nfs/dbraw/zinc/40/94/91/1184409491.db2.gz JUMVGYWZPDFHFI-MAUKXSAKSA-N 2 2 381.480 0.907 20 0 GCADLP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000275196125 1184549034 /nfs/dbraw/zinc/54/90/34/1184549034.db2.gz DYJLMVKWOQUZLI-UHFFFAOYSA-N 2 2 390.484 0.882 20 0 GCADLP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000275196125 1184549039 /nfs/dbraw/zinc/54/90/39/1184549039.db2.gz DYJLMVKWOQUZLI-UHFFFAOYSA-N 2 2 390.484 0.882 20 0 GCADLP NC(=O)[C@]1([NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCOC1 ZINC000653841877 1184670234 /nfs/dbraw/zinc/67/02/34/1184670234.db2.gz OWJAXZHEQJQYLQ-APWZRJJASA-N 2 2 394.903 0.827 20 0 GCADLP Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001707870855 1184677868 /nfs/dbraw/zinc/67/78/68/1184677868.db2.gz ORBNKORNEXWMKQ-WMZOPIPTSA-N 2 2 392.548 0.854 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C[C@H]2CO)cn1 ZINC000683558542 1184771686 /nfs/dbraw/zinc/77/16/86/1184771686.db2.gz GBPLBIOTCKKGQC-SCTDSRPQSA-N 2 2 390.532 0.306 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C[C@H]2CO)cn1 ZINC000683558542 1184771692 /nfs/dbraw/zinc/77/16/92/1184771692.db2.gz GBPLBIOTCKKGQC-SCTDSRPQSA-N 2 2 390.532 0.306 20 0 GCADLP C[C@@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000655709911 1184782605 /nfs/dbraw/zinc/78/26/05/1184782605.db2.gz PENPFDGDAGEKCG-ATZDWAIDSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@@H](NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000655709911 1184782608 /nfs/dbraw/zinc/78/26/08/1184782608.db2.gz PENPFDGDAGEKCG-ATZDWAIDSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000655709911 1184782613 /nfs/dbraw/zinc/78/26/13/1184782613.db2.gz PENPFDGDAGEKCG-ATZDWAIDSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000655709911 1184782616 /nfs/dbraw/zinc/78/26/16/1184782616.db2.gz PENPFDGDAGEKCG-ATZDWAIDSA-N 2 2 376.501 0.424 20 0 GCADLP CCCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000647033283 1184788993 /nfs/dbraw/zinc/78/89/93/1184788993.db2.gz USKIUDVJEIJEQU-KZNAEPCWSA-N 2 2 380.533 0.689 20 0 GCADLP CCCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647033283 1184788998 /nfs/dbraw/zinc/78/89/98/1184788998.db2.gz USKIUDVJEIJEQU-KZNAEPCWSA-N 2 2 380.533 0.689 20 0 GCADLP CCOC(=O)[C@@H](CC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000413386535 1184796059 /nfs/dbraw/zinc/79/60/59/1184796059.db2.gz VEFHZESRJFMHLW-KRWDZBQOSA-N 2 2 396.532 0.273 20 0 GCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@@H+]1CCCOCC1 ZINC000275626046 1184834100 /nfs/dbraw/zinc/83/41/00/1184834100.db2.gz JYHWHLYWYCCZTB-UHFFFAOYSA-N 2 2 391.520 0.010 20 0 GCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@H+]1CCCOCC1 ZINC000275626046 1184834106 /nfs/dbraw/zinc/83/41/06/1184834106.db2.gz JYHWHLYWYCCZTB-UHFFFAOYSA-N 2 2 391.520 0.010 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000275634761 1184844448 /nfs/dbraw/zinc/84/44/48/1184844448.db2.gz CSJXSRYMDWUAHY-UHFFFAOYSA-N 2 2 376.457 0.838 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000275634761 1184844452 /nfs/dbraw/zinc/84/44/52/1184844452.db2.gz CSJXSRYMDWUAHY-UHFFFAOYSA-N 2 2 376.457 0.838 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000275670909 1184904345 /nfs/dbraw/zinc/90/43/45/1184904345.db2.gz SHKAMHYHBIIGRD-GOSISDBHSA-N 2 2 390.532 0.614 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000275670909 1184904350 /nfs/dbraw/zinc/90/43/50/1184904350.db2.gz SHKAMHYHBIIGRD-GOSISDBHSA-N 2 2 390.532 0.614 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656073543 1185011806 /nfs/dbraw/zinc/01/18/06/1185011806.db2.gz MZIJUAYHUYSAOE-CALCHBBNSA-N 2 2 382.549 0.887 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656073543 1185011814 /nfs/dbraw/zinc/01/18/14/1185011814.db2.gz MZIJUAYHUYSAOE-CALCHBBNSA-N 2 2 382.549 0.887 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000656084190 1185022273 /nfs/dbraw/zinc/02/22/73/1185022273.db2.gz WFGNTXLDLIXLJZ-MRXNPFEDSA-N 2 2 382.549 0.623 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000656084190 1185022282 /nfs/dbraw/zinc/02/22/82/1185022282.db2.gz WFGNTXLDLIXLJZ-MRXNPFEDSA-N 2 2 382.549 0.623 20 0 GCADLP O=C(C[N@H+]1CCC[C@@H](OCCO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000548077155 1185162617 /nfs/dbraw/zinc/16/26/17/1185162617.db2.gz GTYKNBDEPZOCQN-GOSISDBHSA-N 2 2 383.533 0.611 20 0 GCADLP O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000548077155 1185162620 /nfs/dbraw/zinc/16/26/20/1185162620.db2.gz GTYKNBDEPZOCQN-GOSISDBHSA-N 2 2 383.533 0.611 20 0 GCADLP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000580410559 1185222552 /nfs/dbraw/zinc/22/25/52/1185222552.db2.gz UXKNYIVGXDQCGL-MRXNPFEDSA-N 2 2 379.505 0.142 20 0 GCADLP CC(C)[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000068573750 1185230294 /nfs/dbraw/zinc/23/02/94/1185230294.db2.gz LPINUWKDYBDMTI-MDZRGWNJSA-N 2 2 382.549 0.789 20 0 GCADLP COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000275892453 1185244665 /nfs/dbraw/zinc/24/46/65/1185244665.db2.gz NHHXHJQPEIZYDA-INIZCTEOSA-N 2 2 392.500 0.761 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275905724 1185265903 /nfs/dbraw/zinc/26/59/03/1185265903.db2.gz IWAQITMXNNUUIA-CVEARBPZSA-N 2 2 376.505 0.432 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275905724 1185265905 /nfs/dbraw/zinc/26/59/05/1185265905.db2.gz IWAQITMXNNUUIA-CVEARBPZSA-N 2 2 376.505 0.432 20 0 GCADLP COC[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000932923273 1185273921 /nfs/dbraw/zinc/27/39/21/1185273921.db2.gz VSRZLMBGMYEWIY-AEFFLSMTSA-N 2 2 382.549 0.648 20 0 GCADLP COC[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000932923273 1185273924 /nfs/dbraw/zinc/27/39/24/1185273924.db2.gz VSRZLMBGMYEWIY-AEFFLSMTSA-N 2 2 382.549 0.648 20 0 GCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000580644297 1185296112 /nfs/dbraw/zinc/29/61/12/1185296112.db2.gz OBBDZLXEGZUFAA-ARFHVFGLSA-N 2 2 391.520 0.707 20 0 GCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000580644297 1185296118 /nfs/dbraw/zinc/29/61/18/1185296118.db2.gz OBBDZLXEGZUFAA-ARFHVFGLSA-N 2 2 391.520 0.707 20 0 GCADLP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104315379 1185326325 /nfs/dbraw/zinc/32/63/25/1185326325.db2.gz PVVLNBGNUWBWNX-VDHUWJSZSA-N 2 2 391.516 0.740 20 0 GCADLP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104315379 1185326333 /nfs/dbraw/zinc/32/63/33/1185326333.db2.gz PVVLNBGNUWBWNX-VDHUWJSZSA-N 2 2 391.516 0.740 20 0 GCADLP c1ncc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1C[NH+]1CCN2CCOC[C@H]2C1 ZINC000580755123 1185344726 /nfs/dbraw/zinc/34/47/26/1185344726.db2.gz HRZZFSXRVMDPSY-NHCUHLMSSA-N 2 2 387.528 0.114 20 0 GCADLP c1ncc(C[N@H+]2CCN3CCOC[C@H]3C2)cc1C[NH+]1CCN2CCOC[C@H]2C1 ZINC000580755123 1185344734 /nfs/dbraw/zinc/34/47/34/1185344734.db2.gz HRZZFSXRVMDPSY-NHCUHLMSSA-N 2 2 387.528 0.114 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000580776603 1185353731 /nfs/dbraw/zinc/35/37/31/1185353731.db2.gz VFUDAZULEXIOCE-UHFFFAOYSA-N 2 2 382.530 0.449 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000580776603 1185353737 /nfs/dbraw/zinc/35/37/37/1185353737.db2.gz VFUDAZULEXIOCE-UHFFFAOYSA-N 2 2 382.530 0.449 20 0 GCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000580774821 1185354225 /nfs/dbraw/zinc/35/42/25/1185354225.db2.gz XTMJBDOOXGPMEO-AWEZNQCLSA-N 2 2 395.467 0.808 20 0 GCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000580774821 1185354244 /nfs/dbraw/zinc/35/42/44/1185354244.db2.gz XTMJBDOOXGPMEO-AWEZNQCLSA-N 2 2 395.467 0.808 20 0 GCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304307 1185377507 /nfs/dbraw/zinc/37/75/07/1185377507.db2.gz VXOVYTJCIPTCII-SFFUCWETSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304307 1185377514 /nfs/dbraw/zinc/37/75/14/1185377514.db2.gz VXOVYTJCIPTCII-SFFUCWETSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304307 1185377520 /nfs/dbraw/zinc/37/75/20/1185377520.db2.gz VXOVYTJCIPTCII-SFFUCWETSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304307 1185377527 /nfs/dbraw/zinc/37/75/27/1185377527.db2.gz VXOVYTJCIPTCII-SFFUCWETSA-N 2 2 382.549 0.837 20 0 GCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152428 1185503760 /nfs/dbraw/zinc/50/37/60/1185503760.db2.gz DITWWIKPHURCRX-GOSISDBHSA-N 3 2 395.592 0.707 20 0 GCADLP Cn1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000067213800 1185564074 /nfs/dbraw/zinc/56/40/74/1185564074.db2.gz LAOYLECRNNKZEV-UHFFFAOYSA-N 2 2 399.539 0.772 20 0 GCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000581277185 1185568554 /nfs/dbraw/zinc/56/85/54/1185568554.db2.gz GVNJLJVXEUEQMN-AWEZNQCLSA-N 2 2 386.456 0.917 20 0 GCADLP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345738 1185614771 /nfs/dbraw/zinc/61/47/71/1185614771.db2.gz QXALQDLOMIWGEX-QBPKDAKJSA-N 2 2 393.536 0.547 20 0 GCADLP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345738 1185614778 /nfs/dbraw/zinc/61/47/78/1185614778.db2.gz QXALQDLOMIWGEX-QBPKDAKJSA-N 2 2 393.536 0.547 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000430568091 1185616810 /nfs/dbraw/zinc/61/68/10/1185616810.db2.gz GZSBIDGGODECRT-MELADBBJSA-N 2 2 380.514 0.671 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000430568091 1185616812 /nfs/dbraw/zinc/61/68/12/1185616812.db2.gz GZSBIDGGODECRT-MELADBBJSA-N 2 2 380.514 0.671 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)NCCC[NH+]3CCOCC3)ccn2)CC1 ZINC000071912667 1185690468 /nfs/dbraw/zinc/69/04/68/1185690468.db2.gz YAWCZIKSWUHBJH-UHFFFAOYSA-N 2 2 376.505 0.355 20 0 GCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000891411358 1185710792 /nfs/dbraw/zinc/71/07/92/1185710792.db2.gz HGUIPCFFXSBUGX-LPHOPBHVSA-N 2 2 398.573 0.652 20 0 GCADLP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCc1c[nH+]cn1C ZINC000292640917 1185729498 /nfs/dbraw/zinc/72/94/98/1185729498.db2.gz KHEQGWLMPGFNEO-UHFFFAOYSA-N 2 2 393.513 0.889 20 0 GCADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581499324 1185729563 /nfs/dbraw/zinc/72/95/63/1185729563.db2.gz ASPOUYXTDVMRJL-FRFSOERESA-N 2 2 394.903 0.810 20 0 GCADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581499324 1185729566 /nfs/dbraw/zinc/72/95/66/1185729566.db2.gz ASPOUYXTDVMRJL-FRFSOERESA-N 2 2 394.903 0.810 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000048457214 1185736682 /nfs/dbraw/zinc/73/66/82/1185736682.db2.gz PMDKFOPFPVTZMD-IRXDYDNUSA-N 2 2 397.564 0.776 20 0 GCADLP CN(CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)CC(=O)N1CC[NH2+]CC1 ZINC000430616018 1185777782 /nfs/dbraw/zinc/77/77/82/1185777782.db2.gz FDYNSEPZGIFJKE-UHFFFAOYSA-N 2 2 380.518 0.041 20 0 GCADLP CCn1c2nnc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)n2c2ccccc2c1=O ZINC000430615728 1185781031 /nfs/dbraw/zinc/78/10/31/1185781031.db2.gz CZYQCUJLBBZCLD-CQSZACIVSA-N 2 2 397.483 0.351 20 0 GCADLP CCn1c2nnc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)n2c2ccccc2c1=O ZINC000430615728 1185781034 /nfs/dbraw/zinc/78/10/34/1185781034.db2.gz CZYQCUJLBBZCLD-CQSZACIVSA-N 2 2 397.483 0.351 20 0 GCADLP CCn1c2nnc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)n2c2ccccc2c1=O ZINC000430615727 1185781499 /nfs/dbraw/zinc/78/14/99/1185781499.db2.gz CZYQCUJLBBZCLD-AWEZNQCLSA-N 2 2 397.483 0.351 20 0 GCADLP CCn1c2nnc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)n2c2ccccc2c1=O ZINC000430615727 1185781504 /nfs/dbraw/zinc/78/15/04/1185781504.db2.gz CZYQCUJLBBZCLD-AWEZNQCLSA-N 2 2 397.483 0.351 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000430617698 1185786703 /nfs/dbraw/zinc/78/67/03/1185786703.db2.gz OJYRPGPQHZDZAU-HOCLYGCPSA-N 2 2 386.504 0.214 20 0 GCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430619189 1185796028 /nfs/dbraw/zinc/79/60/28/1185796028.db2.gz ZSCMVWYYDRYDQL-GDBMZVCRSA-N 2 2 382.530 0.313 20 0 GCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430619189 1185796035 /nfs/dbraw/zinc/79/60/35/1185796035.db2.gz ZSCMVWYYDRYDQL-GDBMZVCRSA-N 2 2 382.530 0.313 20 0 GCADLP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1CCCCC[N@H+]1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000581734418 1185871861 /nfs/dbraw/zinc/87/18/61/1185871861.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1CCCCC[N@@H+]1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000581734418 1185871865 /nfs/dbraw/zinc/87/18/65/1185871865.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCCCCN2C[C@H](C)[N@H+](CCO)C[C@H]2C)[C@@H](C)CN1CCO ZINC000581734418 1185871868 /nfs/dbraw/zinc/87/18/68/1185871868.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCCCCN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)[C@@H](C)CN1CCO ZINC000581734418 1185871872 /nfs/dbraw/zinc/87/18/72/1185871872.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1CN(CCCCC[N@H+]2C[C@H](C)N(CCO)C[C@H]2C)[C@@H](C)C[NH+]1CCO ZINC000581734418 1185871876 /nfs/dbraw/zinc/87/18/76/1185871876.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1CN(CCCCC[N@@H+]2C[C@H](C)N(CCO)C[C@H]2C)[C@@H](C)C[NH+]1CCO ZINC000581734418 1185871878 /nfs/dbraw/zinc/87/18/78/1185871878.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1CN(CCO)[C@@H](C)C[NH+]1CCCCCN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000581734418 1185871884 /nfs/dbraw/zinc/87/18/84/1185871884.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1CN(CCO)[C@@H](C)C[NH+]1CCCCCN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000581734418 1185871889 /nfs/dbraw/zinc/87/18/89/1185871889.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 2 384.609 0.931 20 0 GCADLP O=C(CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000891466081 1185880697 /nfs/dbraw/zinc/88/06/97/1185880697.db2.gz YJKOWQBDQNMSCU-SJORKVTESA-N 2 2 386.500 0.656 20 0 GCADLP CC(C)[C@H](CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000079112258 1185903772 /nfs/dbraw/zinc/90/37/72/1185903772.db2.gz FBZBXMXDIJPUEX-SFHVURJKSA-N 2 2 382.597 0.584 20 0 GCADLP CC(C)[C@@H](CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000079112255 1185903821 /nfs/dbraw/zinc/90/38/21/1185903821.db2.gz FBZBXMXDIJPUEX-GOSISDBHSA-N 2 2 382.597 0.584 20 0 GCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891545693 1185913225 /nfs/dbraw/zinc/91/32/25/1185913225.db2.gz FBYMRKHDSLSMOF-PMPSAXMXSA-N 2 2 387.488 0.038 20 0 GCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891545693 1185913229 /nfs/dbraw/zinc/91/32/29/1185913229.db2.gz FBYMRKHDSLSMOF-PMPSAXMXSA-N 2 2 387.488 0.038 20 0 GCADLP O=C(NCC[NH+]1CCC(O)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000891606660 1185940172 /nfs/dbraw/zinc/94/01/72/1185940172.db2.gz JRMBLQKLLQTZJA-UHFFFAOYSA-N 2 2 376.501 0.775 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000581899384 1185958412 /nfs/dbraw/zinc/95/84/12/1185958412.db2.gz PPQAFIMIXVTWPP-HNNXBMFYSA-N 2 2 396.532 0.461 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000581899384 1185958413 /nfs/dbraw/zinc/95/84/13/1185958413.db2.gz PPQAFIMIXVTWPP-HNNXBMFYSA-N 2 2 396.532 0.461 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000083651915 1185959016 /nfs/dbraw/zinc/95/90/16/1185959016.db2.gz HXSNGPDZMPVFEH-GOSISDBHSA-N 2 2 381.565 0.814 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000083651915 1185959022 /nfs/dbraw/zinc/95/90/22/1185959022.db2.gz HXSNGPDZMPVFEH-GOSISDBHSA-N 2 2 381.565 0.814 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)O1 ZINC001022253044 1185967977 /nfs/dbraw/zinc/96/79/77/1185967977.db2.gz KZFWISBZZDXMRM-YYIAUSFCSA-N 2 2 375.473 0.052 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)O1 ZINC001022253044 1185967982 /nfs/dbraw/zinc/96/79/82/1185967982.db2.gz KZFWISBZZDXMRM-YYIAUSFCSA-N 2 2 375.473 0.052 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000419875786 1185974789 /nfs/dbraw/zinc/97/47/89/1185974789.db2.gz ONOIYNBGQNOESY-HOTGVXAUSA-N 2 2 388.516 0.943 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000419875784 1185975137 /nfs/dbraw/zinc/97/51/37/1185975137.db2.gz ONOIYNBGQNOESY-CVEARBPZSA-N 2 2 388.516 0.943 20 0 GCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891709708 1185990740 /nfs/dbraw/zinc/99/07/40/1185990740.db2.gz SZMYUDGHKRXGRC-FPCVCCKLSA-N 2 2 386.456 0.237 20 0 GCADLP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000430764213 1186026520 /nfs/dbraw/zinc/02/65/20/1186026520.db2.gz QVCGPNTXSQKVIR-UHFFFAOYSA-N 2 2 375.473 0.129 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430930894 1186055652 /nfs/dbraw/zinc/05/56/52/1186055652.db2.gz AFEQEDOZOKLNMQ-LSDHHAIUSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430930894 1186055657 /nfs/dbraw/zinc/05/56/57/1186055657.db2.gz AFEQEDOZOKLNMQ-LSDHHAIUSA-N 2 2 396.513 0.315 20 0 GCADLP CCn1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001087181131 1186117632 /nfs/dbraw/zinc/11/76/32/1186117632.db2.gz BRERJUAQELQUDN-XYVMCAHJSA-N 2 2 378.521 0.734 20 0 GCADLP CCn1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001087181131 1186117636 /nfs/dbraw/zinc/11/76/36/1186117636.db2.gz BRERJUAQELQUDN-XYVMCAHJSA-N 2 2 378.521 0.734 20 0 GCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000610731875 1186155705 /nfs/dbraw/zinc/15/57/05/1186155705.db2.gz NFMTYVBTLJJQBC-IBGZPJMESA-N 2 2 394.608 0.822 20 0 GCADLP CN1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+](C)CC1 ZINC000891923153 1186162311 /nfs/dbraw/zinc/16/23/11/1186162311.db2.gz LFLFEIJZLKWUNL-UHFFFAOYSA-N 2 2 388.560 0.697 20 0 GCADLP CN1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+](C)CC1 ZINC000891923153 1186162315 /nfs/dbraw/zinc/16/23/15/1186162315.db2.gz LFLFEIJZLKWUNL-UHFFFAOYSA-N 2 2 388.560 0.697 20 0 GCADLP CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000934042324 1186224819 /nfs/dbraw/zinc/22/48/19/1186224819.db2.gz RZKJFZYXVWUMNY-RTBURBONSA-N 2 2 377.485 0.529 20 0 GCADLP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000934041522 1186224868 /nfs/dbraw/zinc/22/48/68/1186224868.db2.gz IDIPXGFICJUAOU-MOPGFXCFSA-N 2 2 383.533 0.872 20 0 GCADLP C[NH2+][C@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)c1cnn(C)c1 ZINC000563095440 1186226643 /nfs/dbraw/zinc/22/66/43/1186226643.db2.gz XWMLPDBAEJQNJS-DZKIICNBSA-N 2 2 390.467 0.270 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000277100327 1186239646 /nfs/dbraw/zinc/23/96/46/1186239646.db2.gz TUZIYDAVQLOFBT-IAGOWNOFSA-N 2 2 390.528 0.872 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCCN3CC[NH2+]CC3)C2)c1 ZINC000891968159 1186259631 /nfs/dbraw/zinc/25/96/31/1186259631.db2.gz GSGUTUBHKOKSPR-FQEVSTJZSA-N 2 2 389.544 0.790 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCCN3CC[NH2+]CC3)C2)c1 ZINC000891968159 1186259637 /nfs/dbraw/zinc/25/96/37/1186259637.db2.gz GSGUTUBHKOKSPR-FQEVSTJZSA-N 2 2 389.544 0.790 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCN3CC[NH2+]CC3)C2)c1 ZINC000891973102 1186271063 /nfs/dbraw/zinc/27/10/63/1186271063.db2.gz PDQXKBKEYQGXPE-IBGZPJMESA-N 2 2 375.517 0.400 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCN3CC[NH2+]CC3)C2)c1 ZINC000891973102 1186271067 /nfs/dbraw/zinc/27/10/67/1186271067.db2.gz PDQXKBKEYQGXPE-IBGZPJMESA-N 2 2 375.517 0.400 20 0 GCADLP Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001707915064 1186272188 /nfs/dbraw/zinc/27/21/88/1186272188.db2.gz FWKBOBLFUUZJLN-FUHWJXTLSA-N 2 2 378.521 0.466 20 0 GCADLP Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001707915065 1186272440 /nfs/dbraw/zinc/27/24/40/1186272440.db2.gz FWKBOBLFUUZJLN-SJLPKXTDSA-N 2 2 378.521 0.466 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000047882647 1186309477 /nfs/dbraw/zinc/30/94/77/1186309477.db2.gz ULHALMDZQMUDPN-INIZCTEOSA-N 2 2 377.489 0.926 20 0 GCADLP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000934165001 1186322617 /nfs/dbraw/zinc/32/26/17/1186322617.db2.gz NHZXUTOCLUMYBV-MOPGFXCFSA-N 2 2 383.533 0.826 20 0 GCADLP CN(CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000124604479 1186326095 /nfs/dbraw/zinc/32/60/95/1186326095.db2.gz DCXPGTMXYAXFSF-SJORKVTESA-N 2 2 388.578 0.673 20 0 GCADLP CN(CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000124604479 1186326102 /nfs/dbraw/zinc/32/61/02/1186326102.db2.gz DCXPGTMXYAXFSF-SJORKVTESA-N 2 2 388.578 0.673 20 0 GCADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559693013 1186469060 /nfs/dbraw/zinc/46/90/60/1186469060.db2.gz JDYIPTZKKIAROF-SFHVURJKSA-N 2 2 386.496 0.488 20 0 GCADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000559693013 1186469064 /nfs/dbraw/zinc/46/90/64/1186469064.db2.gz JDYIPTZKKIAROF-SFHVURJKSA-N 2 2 386.496 0.488 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000582388047 1186513290 /nfs/dbraw/zinc/51/32/90/1186513290.db2.gz XMKRGNDRJIYDAX-LJQANCHMSA-N 2 2 397.589 0.875 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000582388047 1186513291 /nfs/dbraw/zinc/51/32/91/1186513291.db2.gz XMKRGNDRJIYDAX-LJQANCHMSA-N 2 2 397.589 0.875 20 0 GCADLP O[C@@H](C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)Cn1cccn1 ZINC000582415848 1186525283 /nfs/dbraw/zinc/52/52/83/1186525283.db2.gz MBJYZNKIAHHFJY-SJORKVTESA-N 2 2 387.488 0.129 20 0 GCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582545754 1186562464 /nfs/dbraw/zinc/56/24/64/1186562464.db2.gz FJMRSOIKWOABJS-FGTMMUONSA-N 2 2 393.532 0.234 20 0 GCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582545754 1186562468 /nfs/dbraw/zinc/56/24/68/1186562468.db2.gz FJMRSOIKWOABJS-FGTMMUONSA-N 2 2 393.532 0.234 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000582619964 1186588278 /nfs/dbraw/zinc/58/82/78/1186588278.db2.gz MDGOPSVECKZIIK-JZXOWHBKSA-N 2 2 379.549 0.116 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000582619964 1186588283 /nfs/dbraw/zinc/58/82/83/1186588283.db2.gz MDGOPSVECKZIIK-JZXOWHBKSA-N 2 2 379.549 0.116 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000642902733 1186589445 /nfs/dbraw/zinc/58/94/45/1186589445.db2.gz YYFSMYPSRAQYAU-INIZCTEOSA-N 2 2 388.516 0.815 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000277780771 1186605658 /nfs/dbraw/zinc/60/56/58/1186605658.db2.gz LWNAREVCIAGKSJ-IAGOWNOFSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000277780771 1186605661 /nfs/dbraw/zinc/60/56/61/1186605661.db2.gz LWNAREVCIAGKSJ-IAGOWNOFSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000277780771 1186605664 /nfs/dbraw/zinc/60/56/64/1186605664.db2.gz LWNAREVCIAGKSJ-IAGOWNOFSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000277780771 1186605667 /nfs/dbraw/zinc/60/56/67/1186605667.db2.gz LWNAREVCIAGKSJ-IAGOWNOFSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000277780779 1186605852 /nfs/dbraw/zinc/60/58/52/1186605852.db2.gz LWNAREVCIAGKSJ-SJORKVTESA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000277780779 1186605856 /nfs/dbraw/zinc/60/58/56/1186605856.db2.gz LWNAREVCIAGKSJ-SJORKVTESA-N 2 2 388.516 0.571 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000277780779 1186605858 /nfs/dbraw/zinc/60/58/58/1186605858.db2.gz LWNAREVCIAGKSJ-SJORKVTESA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000277780779 1186605862 /nfs/dbraw/zinc/60/58/62/1186605862.db2.gz LWNAREVCIAGKSJ-SJORKVTESA-N 2 2 388.516 0.571 20 0 GCADLP C[C@H](CNc1ccnc(NC[C@H](C)N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC000892279660 1186610458 /nfs/dbraw/zinc/61/04/58/1186610458.db2.gz BFFIYIXIVHMGCS-MSOLQXFVSA-N 2 2 390.580 0.572 20 0 GCADLP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000582718510 1186624321 /nfs/dbraw/zinc/62/43/21/1186624321.db2.gz OIWKKQOHSBWIOQ-MRXNPFEDSA-N 2 2 391.516 0.664 20 0 GCADLP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000077752538 1186654710 /nfs/dbraw/zinc/65/47/10/1186654710.db2.gz JNAULGHPJZXIAO-SFHVURJKSA-N 2 2 376.501 0.643 20 0 GCADLP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000077752538 1186654713 /nfs/dbraw/zinc/65/47/13/1186654713.db2.gz JNAULGHPJZXIAO-SFHVURJKSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000153291017 1186664987 /nfs/dbraw/zinc/66/49/87/1186664987.db2.gz RDGNJZAOXICASG-QRQLOZEOSA-N 2 2 376.501 0.642 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000153291017 1186665040 /nfs/dbraw/zinc/66/50/40/1186665040.db2.gz RDGNJZAOXICASG-QRQLOZEOSA-N 2 2 376.501 0.642 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277949843 1186717961 /nfs/dbraw/zinc/71/79/61/1186717961.db2.gz XQHBSKRUJVRTHN-HNNXBMFYSA-N 2 2 376.530 0.773 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277949843 1186717963 /nfs/dbraw/zinc/71/79/63/1186717963.db2.gz XQHBSKRUJVRTHN-HNNXBMFYSA-N 2 2 376.530 0.773 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000277949843 1186717967 /nfs/dbraw/zinc/71/79/67/1186717967.db2.gz XQHBSKRUJVRTHN-HNNXBMFYSA-N 2 2 376.530 0.773 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000277949843 1186717968 /nfs/dbraw/zinc/71/79/68/1186717968.db2.gz XQHBSKRUJVRTHN-HNNXBMFYSA-N 2 2 376.530 0.773 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000544039230 1186726019 /nfs/dbraw/zinc/72/60/19/1186726019.db2.gz KQSXJUIMAXXVKH-SFHVURJKSA-N 2 2 394.560 0.748 20 0 GCADLP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)CC1 ZINC000657741836 1186799023 /nfs/dbraw/zinc/79/90/23/1186799023.db2.gz ZTWTVSLNLGVXCI-RBUKOAKNSA-N 2 2 392.544 0.500 20 0 GCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743348 1186800819 /nfs/dbraw/zinc/80/08/19/1186800819.db2.gz APNMERHMYIDYIQ-ZWKOTPCHSA-N 2 2 380.533 0.500 20 0 GCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743348 1186800822 /nfs/dbraw/zinc/80/08/22/1186800822.db2.gz APNMERHMYIDYIQ-ZWKOTPCHSA-N 2 2 380.533 0.500 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000657746817 1186813177 /nfs/dbraw/zinc/81/31/77/1186813177.db2.gz ZMAFPYQKDQQHIE-MSOLQXFVSA-N 2 2 378.517 0.254 20 0 GCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000583373198 1186839215 /nfs/dbraw/zinc/83/92/15/1186839215.db2.gz GVFPDMLAZZEJAN-RBUKOAKNSA-N 2 2 389.544 0.905 20 0 GCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000583373198 1186839217 /nfs/dbraw/zinc/83/92/17/1186839217.db2.gz GVFPDMLAZZEJAN-RBUKOAKNSA-N 2 2 389.544 0.905 20 0 GCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158423 1186891451 /nfs/dbraw/zinc/89/14/51/1186891451.db2.gz UQKNNICZTZXOTC-VQIMIIECSA-N 3 2 398.573 0.634 20 0 GCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158423 1186891454 /nfs/dbraw/zinc/89/14/54/1186891454.db2.gz UQKNNICZTZXOTC-VQIMIIECSA-N 3 2 398.573 0.634 20 0 GCADLP CO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685183754 1186919529 /nfs/dbraw/zinc/91/95/29/1186919529.db2.gz FNTVCCLLZXBVKK-BRWVUGGUSA-N 2 2 380.533 0.543 20 0 GCADLP CO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685183754 1186919532 /nfs/dbraw/zinc/91/95/32/1186919532.db2.gz FNTVCCLLZXBVKK-BRWVUGGUSA-N 2 2 380.533 0.543 20 0 GCADLP CO[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685183756 1186919808 /nfs/dbraw/zinc/91/98/08/1186919808.db2.gz FNTVCCLLZXBVKK-IXDOHACOSA-N 2 2 380.533 0.543 20 0 GCADLP CO[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685183756 1186919810 /nfs/dbraw/zinc/91/98/10/1186919810.db2.gz FNTVCCLLZXBVKK-IXDOHACOSA-N 2 2 380.533 0.543 20 0 GCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@@H]3C(N)=O)CC2)cc1 ZINC000130644182 1186943770 /nfs/dbraw/zinc/94/37/70/1186943770.db2.gz MSDQFMPQSONZTM-RBUKOAKNSA-N 2 2 388.512 0.973 20 0 GCADLP COCCC[N@H+](C)CC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000157893684 1186950980 /nfs/dbraw/zinc/95/09/80/1186950980.db2.gz RKNJIHWJFQWRHL-UHFFFAOYSA-N 2 2 387.550 0.738 20 0 GCADLP COCCC[N@@H+](C)CC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000157893684 1186950981 /nfs/dbraw/zinc/95/09/81/1186950981.db2.gz RKNJIHWJFQWRHL-UHFFFAOYSA-N 2 2 387.550 0.738 20 0 GCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000583856819 1186952775 /nfs/dbraw/zinc/95/27/75/1186952775.db2.gz YVRFVTLESCQBGE-QGZVFWFLSA-N 2 2 375.521 0.724 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000685231983 1186960784 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CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562952651 1187140066 /nfs/dbraw/zinc/14/00/66/1187140066.db2.gz GYDQBVWROFYUKT-KRWDZBQOSA-N 2 2 388.516 0.856 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001023978672 1187208605 /nfs/dbraw/zinc/20/86/05/1187208605.db2.gz FIGFVEJVQCOPRI-GBJTYRQASA-N 2 2 377.489 0.106 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2O)CC[N@H+]1C ZINC001023978672 1187208610 /nfs/dbraw/zinc/20/86/10/1187208610.db2.gz FIGFVEJVQCOPRI-GBJTYRQASA-N 2 2 377.489 0.106 20 0 GCADLP C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@H+](C)CCO1 ZINC000635710954 1187248696 /nfs/dbraw/zinc/24/86/96/1187248696.db2.gz AIPHQLDLZIUGHU-DYVFJYSZSA-N 2 2 375.473 0.752 20 0 GCADLP C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000635710954 1187248701 /nfs/dbraw/zinc/24/87/01/1187248701.db2.gz AIPHQLDLZIUGHU-DYVFJYSZSA-N 2 2 375.473 0.752 20 0 GCADLP CO[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000658495689 1187318312 /nfs/dbraw/zinc/31/83/12/1187318312.db2.gz UFLOUCLZJXTGJL-SFHVURJKSA-N 2 2 382.549 0.792 20 0 GCADLP CO[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000658495689 1187318317 /nfs/dbraw/zinc/31/83/17/1187318317.db2.gz UFLOUCLZJXTGJL-SFHVURJKSA-N 2 2 382.549 0.792 20 0 GCADLP CN(C(=O)C(=O)NCCCc1ccco1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000658539884 1187332549 /nfs/dbraw/zinc/33/25/49/1187332549.db2.gz KAKIKQXFMAJSPM-QGZVFWFLSA-N 2 2 376.501 0.955 20 0 GCADLP CN(C(=O)C(=O)NCCCc1ccco1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000658539884 1187332553 /nfs/dbraw/zinc/33/25/53/1187332553.db2.gz KAKIKQXFMAJSPM-QGZVFWFLSA-N 2 2 376.501 0.955 20 0 GCADLP CO[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000658539685 1187333896 /nfs/dbraw/zinc/33/38/96/1187333896.db2.gz FHAPEAAJJNBMAW-RBUKOAKNSA-N 2 2 394.560 0.935 20 0 GCADLP CO[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000658539685 1187333897 /nfs/dbraw/zinc/33/38/97/1187333897.db2.gz FHAPEAAJJNBMAW-RBUKOAKNSA-N 2 2 394.560 0.935 20 0 GCADLP O=C(N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024378020 1187375056 /nfs/dbraw/zinc/37/50/56/1187375056.db2.gz FZBBXNTWTGVDTJ-MUIFIZLQSA-N 2 2 387.484 0.077 20 0 GCADLP O=C(N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024378020 1187375058 /nfs/dbraw/zinc/37/50/58/1187375058.db2.gz FZBBXNTWTGVDTJ-MUIFIZLQSA-N 2 2 387.484 0.077 20 0 GCADLP CN(C(=O)C(=O)Nc1cc(C2CC2)n(C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685735992 1187389477 /nfs/dbraw/zinc/38/94/77/1187389477.db2.gz BCJURZVZOLVFBX-MRXNPFEDSA-N 2 2 388.516 0.863 20 0 GCADLP CN(C(=O)C(=O)Nc1cc(C2CC2)n(C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685735992 1187389478 /nfs/dbraw/zinc/38/94/78/1187389478.db2.gz BCJURZVZOLVFBX-MRXNPFEDSA-N 2 2 388.516 0.863 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431642134 1187447131 /nfs/dbraw/zinc/44/71/31/1187447131.db2.gz ZRPAZRLMASSLCM-MRXNPFEDSA-N 2 2 397.564 0.633 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431642134 1187447133 /nfs/dbraw/zinc/44/71/33/1187447133.db2.gz ZRPAZRLMASSLCM-MRXNPFEDSA-N 2 2 397.564 0.633 20 0 GCADLP CCCC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000612289470 1187451760 /nfs/dbraw/zinc/45/17/60/1187451760.db2.gz XJZUUPOUBJVHDA-KURKYZTESA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000612289470 1187451765 /nfs/dbraw/zinc/45/17/65/1187451765.db2.gz XJZUUPOUBJVHDA-KURKYZTESA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000612289470 1187451767 /nfs/dbraw/zinc/45/17/67/1187451767.db2.gz XJZUUPOUBJVHDA-KURKYZTESA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000612289470 1187451769 /nfs/dbraw/zinc/45/17/69/1187451769.db2.gz XJZUUPOUBJVHDA-KURKYZTESA-N 2 2 398.548 0.219 20 0 GCADLP CC(C)[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[NH+]1CCN(C)CC1 ZINC000612336676 1187465966 /nfs/dbraw/zinc/46/59/66/1187465966.db2.gz ZNCNNYUHDFFTLX-WOJBJXKFSA-N 2 2 396.624 0.830 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612480349 1187503644 /nfs/dbraw/zinc/50/36/44/1187503644.db2.gz IXLLNOBXUQVVDS-KRWDZBQOSA-N 2 2 398.548 0.029 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612485734 1187506046 /nfs/dbraw/zinc/50/60/46/1187506046.db2.gz LBTMPTZZLIHPGN-SFHVURJKSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000612596670 1187536178 /nfs/dbraw/zinc/53/61/78/1187536178.db2.gz RSUUCALZPVIGHF-NJAFHUGGSA-N 2 2 389.500 0.662 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000413917671 1187587096 /nfs/dbraw/zinc/58/70/96/1187587096.db2.gz KISUKGHVLAWSDX-OALUTQOASA-N 2 2 388.512 0.538 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000413917671 1187587098 /nfs/dbraw/zinc/58/70/98/1187587098.db2.gz KISUKGHVLAWSDX-OALUTQOASA-N 2 2 388.512 0.538 20 0 GCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000892513750 1187591000 /nfs/dbraw/zinc/59/10/00/1187591000.db2.gz JTWJHLHQIMUKNC-KRWDZBQOSA-N 2 2 390.557 0.824 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000413969413 1187618480 /nfs/dbraw/zinc/61/84/80/1187618480.db2.gz VBTQIJBHCFNKLW-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000413969413 1187618486 /nfs/dbraw/zinc/61/84/86/1187618486.db2.gz VBTQIJBHCFNKLW-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C(=O)c1nc2n(n1)CCCN2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612960526 1187626713 /nfs/dbraw/zinc/62/67/13/1187626713.db2.gz QVLPCHZCDNKCPT-DLBZAZTESA-N 2 2 389.548 0.760 20 0 GCADLP CN(C(=O)c1nc2n(n1)CCCN2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612960526 1187626717 /nfs/dbraw/zinc/62/67/17/1187626717.db2.gz QVLPCHZCDNKCPT-DLBZAZTESA-N 2 2 389.548 0.760 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H]1CCO ZINC000658846626 1187641573 /nfs/dbraw/zinc/64/15/73/1187641573.db2.gz YPEVVFCNQCIAMX-SJLPKXTDSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H]1CCO ZINC000658846626 1187641577 /nfs/dbraw/zinc/64/15/77/1187641577.db2.gz YPEVVFCNQCIAMX-SJLPKXTDSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H]1CCO ZINC000658846625 1187641708 /nfs/dbraw/zinc/64/17/08/1187641708.db2.gz YPEVVFCNQCIAMX-FUHWJXTLSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H]1CCO ZINC000658846625 1187641709 /nfs/dbraw/zinc/64/17/09/1187641709.db2.gz YPEVVFCNQCIAMX-FUHWJXTLSA-N 2 2 382.549 0.480 20 0 GCADLP CC(C)(CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[NH+]1CCOCC1 ZINC000431728368 1187654233 /nfs/dbraw/zinc/65/42/33/1187654233.db2.gz NDUKUPLGJHHCBV-UHFFFAOYSA-N 2 2 383.537 0.389 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)[nH]n2)CC[NH+]1C ZINC000613225766 1187701129 /nfs/dbraw/zinc/70/11/29/1187701129.db2.gz JESTUEFXFAXMDW-KBXIAJHMSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)[nH]n2)CC[NH+]1C ZINC000613225766 1187701130 /nfs/dbraw/zinc/70/11/30/1187701130.db2.gz JESTUEFXFAXMDW-KBXIAJHMSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)n[nH]2)CC[NH+]1C ZINC000613225766 1187701132 /nfs/dbraw/zinc/70/11/32/1187701132.db2.gz JESTUEFXFAXMDW-KBXIAJHMSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)n[nH]2)CC[NH+]1C ZINC000613225766 1187701135 /nfs/dbraw/zinc/70/11/35/1187701135.db2.gz JESTUEFXFAXMDW-KBXIAJHMSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892543561 1187742559 /nfs/dbraw/zinc/74/25/59/1187742559.db2.gz GRLBWNKQPTUJPE-KRWDZBQOSA-N 2 2 388.516 0.904 20 0 GCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892543561 1187742562 /nfs/dbraw/zinc/74/25/62/1187742562.db2.gz GRLBWNKQPTUJPE-KRWDZBQOSA-N 2 2 388.516 0.904 20 0 GCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892543564 1187742849 /nfs/dbraw/zinc/74/28/49/1187742849.db2.gz GRLBWNKQPTUJPE-QGZVFWFLSA-N 2 2 388.516 0.904 20 0 GCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892543564 1187742853 /nfs/dbraw/zinc/74/28/53/1187742853.db2.gz GRLBWNKQPTUJPE-QGZVFWFLSA-N 2 2 388.516 0.904 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025002096 1187745093 /nfs/dbraw/zinc/74/50/93/1187745093.db2.gz ZQZJKUXXIAFEGG-KCYZZUKISA-N 2 2 389.500 0.086 20 0 GCADLP CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000892545761 1187749873 /nfs/dbraw/zinc/74/98/73/1187749873.db2.gz XQYWYTMVNNXWAP-KRWDZBQOSA-N 2 2 388.516 0.856 20 0 GCADLP CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000892545761 1187749877 /nfs/dbraw/zinc/74/98/77/1187749877.db2.gz XQYWYTMVNNXWAP-KRWDZBQOSA-N 2 2 388.516 0.856 20 0 GCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000332781757 1187771363 /nfs/dbraw/zinc/77/13/63/1187771363.db2.gz XGPXFCFMNNIJRF-QXAKKESOSA-N 2 2 379.549 0.071 20 0 GCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000332781757 1187771368 /nfs/dbraw/zinc/77/13/68/1187771368.db2.gz XGPXFCFMNNIJRF-QXAKKESOSA-N 2 2 379.549 0.071 20 0 GCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332849287 1187791960 /nfs/dbraw/zinc/79/19/60/1187791960.db2.gz SKNINEZQKZAVJJ-BVBHFADKSA-N 2 2 380.533 0.869 20 0 GCADLP CN(C(=O)CC1(O)CCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000073437661 1187793953 /nfs/dbraw/zinc/79/39/53/1187793953.db2.gz YRNBWHGXHCZLKQ-UHFFFAOYSA-N 2 2 380.533 0.378 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)c1 ZINC000892609480 1187825557 /nfs/dbraw/zinc/82/55/57/1187825557.db2.gz QEEMRACWSFMOSS-RTBURBONSA-N 2 2 375.517 0.480 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)c1 ZINC000892609480 1187825559 /nfs/dbraw/zinc/82/55/59/1187825559.db2.gz QEEMRACWSFMOSS-RTBURBONSA-N 2 2 375.517 0.480 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659089251 1187873481 /nfs/dbraw/zinc/87/34/81/1187873481.db2.gz CQUHKAITRZENSI-UHFFFAOYSA-N 2 2 389.500 0.485 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659098984 1187875853 /nfs/dbraw/zinc/87/58/53/1187875853.db2.gz MTSNOQSEWUODOV-UHFFFAOYSA-N 2 2 387.484 0.400 20 0 GCADLP O=C(CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000376495584 1187890385 /nfs/dbraw/zinc/89/03/85/1187890385.db2.gz PGGDDOVHOPGODV-RTBURBONSA-N 2 2 387.528 0.651 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423498014 1187915719 /nfs/dbraw/zinc/91/57/19/1187915719.db2.gz AWZCDMCSUMUZDW-QZTJIDSGSA-N 3 2 381.565 0.460 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423498014 1187915721 /nfs/dbraw/zinc/91/57/21/1187915721.db2.gz AWZCDMCSUMUZDW-QZTJIDSGSA-N 3 2 381.565 0.460 20 0 GCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC2)C1 ZINC000659257051 1187921027 /nfs/dbraw/zinc/92/10/27/1187921027.db2.gz WKWVHJLZJJGZAW-MSOLQXFVSA-N 2 2 388.516 0.285 20 0 GCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC2)C1 ZINC000659257051 1187921030 /nfs/dbraw/zinc/92/10/30/1187921030.db2.gz WKWVHJLZJJGZAW-MSOLQXFVSA-N 2 2 388.516 0.285 20 0 GCADLP CC[C@@]1(C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344776 1187945121 /nfs/dbraw/zinc/94/51/21/1187945121.db2.gz KJAYPCSQCXXYAC-XLIONFOSSA-N 2 2 380.533 0.641 20 0 GCADLP CC[C@@]1(C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344776 1187945123 /nfs/dbraw/zinc/94/51/23/1187945123.db2.gz KJAYPCSQCXXYAC-XLIONFOSSA-N 2 2 380.533 0.641 20 0 GCADLP CO[C@]1(C)CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345003 1187945265 /nfs/dbraw/zinc/94/52/65/1187945265.db2.gz PJFSAXBNUMQYOY-FXAWDEMLSA-N 2 2 380.533 0.641 20 0 GCADLP CO[C@]1(C)CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345003 1187945266 /nfs/dbraw/zinc/94/52/66/1187945266.db2.gz PJFSAXBNUMQYOY-FXAWDEMLSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344792 1187946306 /nfs/dbraw/zinc/94/63/06/1187946306.db2.gz KVPRJRITFFEGSP-MSOLQXFVSA-N 3 2 379.549 0.166 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344792 1187946309 /nfs/dbraw/zinc/94/63/09/1187946309.db2.gz KVPRJRITFFEGSP-MSOLQXFVSA-N 3 2 379.549 0.166 20 0 GCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000659424845 1187956608 /nfs/dbraw/zinc/95/66/08/1187956608.db2.gz GZMNEYVSIWUUJW-MRXNPFEDSA-N 2 2 386.456 0.341 20 0 GCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000659424845 1187956611 /nfs/dbraw/zinc/95/66/11/1187956611.db2.gz GZMNEYVSIWUUJW-MRXNPFEDSA-N 2 2 386.456 0.341 20 0 GCADLP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000659454210 1187959638 /nfs/dbraw/zinc/95/96/38/1187959638.db2.gz CWLRCQAJEPOSTA-OAHLLOKOSA-N 2 2 391.520 0.661 20 0 GCADLP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000659454210 1187959640 /nfs/dbraw/zinc/95/96/40/1187959640.db2.gz CWLRCQAJEPOSTA-OAHLLOKOSA-N 2 2 391.520 0.661 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000650974607 1187968174 /nfs/dbraw/zinc/96/81/74/1187968174.db2.gz RTAHBVFBJQCUQR-MOPGFXCFSA-N 2 2 398.548 0.354 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000659698414 1187999558 /nfs/dbraw/zinc/99/95/58/1187999558.db2.gz YYONVACJAHYZOD-RCBQFDQVSA-N 2 2 382.892 0.552 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659698414 1187999563 /nfs/dbraw/zinc/99/95/63/1187999563.db2.gz YYONVACJAHYZOD-RCBQFDQVSA-N 2 2 382.892 0.552 20 0 GCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)C2)CC1 ZINC000106525013 1188012563 /nfs/dbraw/zinc/01/25/63/1188012563.db2.gz MBQGCTSDFVJMTD-RTBURBONSA-N 2 2 381.565 0.765 20 0 GCADLP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000377466466 1188029983 /nfs/dbraw/zinc/02/99/83/1188029983.db2.gz ZFBMDYDQKFPCJZ-SQNIBIBYSA-N 2 2 380.533 0.404 20 0 GCADLP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000377466466 1188029986 /nfs/dbraw/zinc/02/99/86/1188029986.db2.gz ZFBMDYDQKFPCJZ-SQNIBIBYSA-N 2 2 380.533 0.404 20 0 GCADLP Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn2cc[nH+]c12 ZINC000415321662 1188030855 /nfs/dbraw/zinc/03/08/55/1188030855.db2.gz AZDJFOHZBUYUES-OAHLLOKOSA-N 2 2 398.467 0.252 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)c2)CC1 ZINC000415345688 1188057483 /nfs/dbraw/zinc/05/74/83/1188057483.db2.gz ZBDKWMSWIRKLDG-OAHLLOKOSA-N 2 2 387.484 0.110 20 0 GCADLP C[NH+](C)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000377576706 1188079071 /nfs/dbraw/zinc/07/90/71/1188079071.db2.gz ZEZZSWCKDMYKDU-QGZVFWFLSA-N 2 2 380.533 0.500 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000415429487 1188079092 /nfs/dbraw/zinc/07/90/92/1188079092.db2.gz IMCZKFSWJBZOJL-HNNXBMFYSA-N 2 2 387.484 0.110 20 0 GCADLP C[NH+](C)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000377576705 1188079324 /nfs/dbraw/zinc/07/93/24/1188079324.db2.gz ZEZZSWCKDMYKDU-KRWDZBQOSA-N 2 2 380.533 0.500 20 0 GCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415456814 1188085307 /nfs/dbraw/zinc/08/53/07/1188085307.db2.gz WYHDWTUJJDXOEK-SJLPKXTDSA-N 2 2 387.528 0.958 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000415481833 1188090046 /nfs/dbraw/zinc/09/00/46/1188090046.db2.gz KTTMQWGSNHYCJA-MJGOQNOKSA-N 2 2 385.512 0.725 20 0 GCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415491140 1188090750 /nfs/dbraw/zinc/09/07/50/1188090750.db2.gz ZGKUFLAQVQNJMB-UHFFFAOYSA-N 2 2 375.517 0.816 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000415517403 1188097065 /nfs/dbraw/zinc/09/70/65/1188097065.db2.gz HKKZNUDLVBKRBJ-FUHWJXTLSA-N 2 2 387.528 0.958 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)c2)CC1 ZINC000415551327 1188104363 /nfs/dbraw/zinc/10/43/63/1188104363.db2.gz KVLWTDSXVDTBAI-UHFFFAOYSA-N 2 2 399.539 0.975 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415754444 1188158881 /nfs/dbraw/zinc/15/88/81/1188158881.db2.gz ZMLDPMDQOKVLRC-ZWKOTPCHSA-N 2 2 385.512 0.440 20 0 GCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896734 1188165517 /nfs/dbraw/zinc/16/55/17/1188165517.db2.gz AHMBOIRVGQQREP-MOPGFXCFSA-N 2 2 393.576 0.604 20 0 GCADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377917353 1189370960 /nfs/dbraw/zinc/37/09/60/1189370960.db2.gz SWIAOGXUYVOZFU-QZTJIDSGSA-N 2 2 382.549 0.791 20 0 GCADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377917353 1189370964 /nfs/dbraw/zinc/37/09/64/1189370964.db2.gz SWIAOGXUYVOZFU-QZTJIDSGSA-N 2 2 382.549 0.791 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000415866734 1189388419 /nfs/dbraw/zinc/38/84/19/1189388419.db2.gz OPONSVJUOODQCH-BFYDXBDKSA-N 2 2 390.484 0.339 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCC3=CC[NH2+]CC3)c2)CC1 ZINC000415882937 1189396273 /nfs/dbraw/zinc/39/62/73/1189396273.db2.gz XPIQXZGYJQGQNG-UHFFFAOYSA-N 2 2 385.512 0.799 20 0 GCADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000106789541 1189440824 /nfs/dbraw/zinc/44/08/24/1189440824.db2.gz RRCPNWWYMQYJNB-SJORKVTESA-N 2 2 378.517 0.300 20 0 GCADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000106789541 1189440829 /nfs/dbraw/zinc/44/08/29/1189440829.db2.gz RRCPNWWYMQYJNB-SJORKVTESA-N 2 2 378.517 0.300 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CS(=O)(=O)C[C@@H]3OC)CC2)CC1 ZINC000659913066 1189449211 /nfs/dbraw/zinc/44/92/11/1189449211.db2.gz SNXCUWBGUBAEKN-SJORKVTESA-N 2 2 387.546 0.065 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCCCN3CCCCCC3=O)C2)CC1 ZINC000107370520 1189457883 /nfs/dbraw/zinc/45/78/83/1189457883.db2.gz VFPDNVWVICTNSD-LJQANCHMSA-N 2 2 393.576 0.607 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCCCN3CCCCCC3=O)C2)CC1 ZINC000107370520 1189457886 /nfs/dbraw/zinc/45/78/86/1189457886.db2.gz VFPDNVWVICTNSD-LJQANCHMSA-N 2 2 393.576 0.607 20 0 GCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000659942834 1189473111 /nfs/dbraw/zinc/47/31/11/1189473111.db2.gz ORLNLSVOWJGVBJ-JKSUJKDBSA-N 2 2 389.562 0.214 20 0 GCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC000659943765 1189474640 /nfs/dbraw/zinc/47/46/40/1189474640.db2.gz YDLLRTSVYSLBMH-UHFFFAOYSA-N 2 2 376.505 0.831 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000431865667 1189499558 /nfs/dbraw/zinc/49/95/58/1189499558.db2.gz RMTWWHKFFWSKJY-UHFFFAOYSA-N 2 2 387.484 0.908 20 0 GCADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378425513 1189505562 /nfs/dbraw/zinc/50/55/62/1189505562.db2.gz FTINUVJVXNAZFY-QGZVFWFLSA-N 2 2 391.512 0.859 20 0 GCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC(=O)NCc1ccccc1 ZINC000378436167 1189507202 /nfs/dbraw/zinc/50/72/02/1189507202.db2.gz YRLUSYIHKHKJPX-UHFFFAOYSA-N 2 2 390.484 0.172 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511592783 1189601116 /nfs/dbraw/zinc/60/11/16/1189601116.db2.gz HPUYZTHUUWRMRC-CVEARBPZSA-N 2 2 395.529 0.119 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511592783 1189601119 /nfs/dbraw/zinc/60/11/19/1189601119.db2.gz HPUYZTHUUWRMRC-CVEARBPZSA-N 2 2 395.529 0.119 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000584673211 1189623968 /nfs/dbraw/zinc/62/39/68/1189623968.db2.gz OGRJLPKDMNGFCC-QGZVFWFLSA-N 2 2 382.549 0.936 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000584673211 1189623973 /nfs/dbraw/zinc/62/39/73/1189623973.db2.gz OGRJLPKDMNGFCC-QGZVFWFLSA-N 2 2 382.549 0.936 20 0 GCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000584673211 1189623977 /nfs/dbraw/zinc/62/39/77/1189623977.db2.gz OGRJLPKDMNGFCC-QGZVFWFLSA-N 2 2 382.549 0.936 20 0 GCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000584673211 1189623980 /nfs/dbraw/zinc/62/39/80/1189623980.db2.gz OGRJLPKDMNGFCC-QGZVFWFLSA-N 2 2 382.549 0.936 20 0 GCADLP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660171259 1189632904 /nfs/dbraw/zinc/63/29/04/1189632904.db2.gz QRHKUFWDICJOTJ-RBUKOAKNSA-N 2 2 392.544 0.787 20 0 GCADLP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660171257 1189632938 /nfs/dbraw/zinc/63/29/38/1189632938.db2.gz QRHKUFWDICJOTJ-OALUTQOASA-N 2 2 392.544 0.787 20 0 GCADLP O=C(NCCN1CC[NH2+]CC1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417295149 1189642036 /nfs/dbraw/zinc/64/20/36/1189642036.db2.gz JIMQDXKILMHWKA-UHFFFAOYSA-N 2 2 391.516 0.102 20 0 GCADLP O=C(NCCN1CC[NH2+]CC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417322168 1189646873 /nfs/dbraw/zinc/64/68/73/1189646873.db2.gz VAQKXKARAFQSKV-UHFFFAOYSA-N 2 2 391.516 0.102 20 0 GCADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417362673 1189652458 /nfs/dbraw/zinc/65/24/58/1189652458.db2.gz FEFHDUXGYIVMGG-SJORKVTESA-N 2 2 388.516 0.937 20 0 GCADLP C[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C[NH3+] ZINC000417365553 1189653864 /nfs/dbraw/zinc/65/38/64/1189653864.db2.gz JKNLAISHCVSDFT-IRXDYDNUSA-N 2 2 388.516 0.747 20 0 GCADLP C[C@H]([NH3+])C1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000417371640 1189654330 /nfs/dbraw/zinc/65/43/30/1189654330.db2.gz WYVIEUPTNYJDGE-INIZCTEOSA-N 2 2 388.516 0.889 20 0 GCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584768638 1189657616 /nfs/dbraw/zinc/65/76/16/1189657616.db2.gz QZFNLXJDDHGKFJ-CALCHBBNSA-N 2 2 382.549 0.933 20 0 GCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584768638 1189657620 /nfs/dbraw/zinc/65/76/20/1189657620.db2.gz QZFNLXJDDHGKFJ-CALCHBBNSA-N 2 2 382.549 0.933 20 0 GCADLP CC(C)[NH+]1CCCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584768638 1189657622 /nfs/dbraw/zinc/65/76/22/1189657622.db2.gz QZFNLXJDDHGKFJ-CALCHBBNSA-N 2 2 382.549 0.933 20 0 GCADLP CC(C)[NH+]1CCCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584768638 1189657628 /nfs/dbraw/zinc/65/76/28/1189657628.db2.gz QZFNLXJDDHGKFJ-CALCHBBNSA-N 2 2 382.549 0.933 20 0 GCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417502912 1189674055 /nfs/dbraw/zinc/67/40/55/1189674055.db2.gz KGCSKQQDUOSBSR-ZDUSSCGKSA-N 2 2 381.443 0.233 20 0 GCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417502912 1189674057 /nfs/dbraw/zinc/67/40/57/1189674057.db2.gz KGCSKQQDUOSBSR-ZDUSSCGKSA-N 2 2 381.443 0.233 20 0 GCADLP C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000417517962 1189676271 /nfs/dbraw/zinc/67/62/71/1189676271.db2.gz JYLYEZAMSVLKRC-IHRRRGAJSA-N 2 2 381.443 0.231 20 0 GCADLP O=C(NCCN1CC[NH2+]CC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417602304 1189687960 /nfs/dbraw/zinc/68/79/60/1189687960.db2.gz NVGHPFRARGGOBL-IBGZPJMESA-N 2 2 375.517 0.134 20 0 GCADLP [NH3+][C@H](CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000417618772 1189690206 /nfs/dbraw/zinc/69/02/06/1189690206.db2.gz HDJAVZKFRZYBNP-HZPDHXFCSA-N 2 2 389.504 0.319 20 0 GCADLP [NH3+][C@H](CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000417618772 1189690208 /nfs/dbraw/zinc/69/02/08/1189690208.db2.gz HDJAVZKFRZYBNP-HZPDHXFCSA-N 2 2 389.504 0.319 20 0 GCADLP CC(C)(C[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417621104 1189690237 /nfs/dbraw/zinc/69/02/37/1189690237.db2.gz KENHWKWLEGTNKO-CQSZACIVSA-N 2 2 377.493 0.319 20 0 GCADLP CC(C)(C[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417621104 1189690238 /nfs/dbraw/zinc/69/02/38/1189690238.db2.gz KENHWKWLEGTNKO-CQSZACIVSA-N 2 2 377.493 0.319 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417616237 1189690284 /nfs/dbraw/zinc/69/02/84/1189690284.db2.gz DQWITKPNOHPXDU-HZPDHXFCSA-N 2 2 391.520 0.565 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417616237 1189690285 /nfs/dbraw/zinc/69/02/85/1189690285.db2.gz DQWITKPNOHPXDU-HZPDHXFCSA-N 2 2 391.520 0.565 20 0 GCADLP CN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC([NH3+])C1 ZINC000417624944 1189692168 /nfs/dbraw/zinc/69/21/68/1189692168.db2.gz OVCYNELPPJPHON-PCKAHOCUSA-N 2 2 389.504 0.413 20 0 GCADLP CN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC([NH3+])C1 ZINC000417624944 1189692171 /nfs/dbraw/zinc/69/21/71/1189692171.db2.gz OVCYNELPPJPHON-PCKAHOCUSA-N 2 2 389.504 0.413 20 0 GCADLP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417629845 1189692205 /nfs/dbraw/zinc/69/22/05/1189692205.db2.gz VXFFTXDCQGSPBZ-LSDHHAIUSA-N 2 2 377.493 0.319 20 0 GCADLP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417629845 1189692209 /nfs/dbraw/zinc/69/22/09/1189692209.db2.gz VXFFTXDCQGSPBZ-LSDHHAIUSA-N 2 2 377.493 0.319 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417627280 1189692653 /nfs/dbraw/zinc/69/26/53/1189692653.db2.gz SIENXEUWEBOIBB-CABCVRRESA-N 2 2 377.493 0.176 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417627280 1189692656 /nfs/dbraw/zinc/69/26/56/1189692656.db2.gz SIENXEUWEBOIBB-CABCVRRESA-N 2 2 377.493 0.176 20 0 GCADLP C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]1 ZINC000417626824 1189693250 /nfs/dbraw/zinc/69/32/50/1189693250.db2.gz RRAAGVOFGQFXMU-JKSUJKDBSA-N 2 2 389.504 0.285 20 0 GCADLP C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]1 ZINC000417626824 1189693252 /nfs/dbraw/zinc/69/32/52/1189693252.db2.gz RRAAGVOFGQFXMU-JKSUJKDBSA-N 2 2 389.504 0.285 20 0 GCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000660339008 1189716667 /nfs/dbraw/zinc/71/66/67/1189716667.db2.gz WAJGHAQOAVLAOL-KRWDZBQOSA-N 2 2 378.517 0.396 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668911448 1189717851 /nfs/dbraw/zinc/71/78/51/1189717851.db2.gz SPCHVCYENVLXLX-MSOLQXFVSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668911448 1189717856 /nfs/dbraw/zinc/71/78/56/1189717856.db2.gz SPCHVCYENVLXLX-MSOLQXFVSA-N 3 2 393.576 0.508 20 0 GCADLP O=C(CCC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000579594083 1189727693 /nfs/dbraw/zinc/72/76/93/1189727693.db2.gz YNTBQPWXGQVQNE-DLBZAZTESA-N 2 2 387.484 0.100 20 0 GCADLP CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CCN2C1=O ZINC000364281550 1189730835 /nfs/dbraw/zinc/73/08/35/1189730835.db2.gz MKZMCWBSQVKMOV-IRXDYDNUSA-N 2 2 387.484 0.374 20 0 GCADLP CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CCN2C1=O ZINC000364281550 1189730840 /nfs/dbraw/zinc/73/08/40/1189730840.db2.gz MKZMCWBSQVKMOV-IRXDYDNUSA-N 2 2 387.484 0.374 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCN1C1CC[NH+](C)CC1 ZINC000500292608 1189761356 /nfs/dbraw/zinc/76/13/56/1189761356.db2.gz TXQZTQKBLFJJLX-INIZCTEOSA-N 2 2 398.511 0.577 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418452702 1189789710 /nfs/dbraw/zinc/78/97/10/1189789710.db2.gz XXNREBNYLFCOEM-MRXNPFEDSA-N 2 2 391.520 0.662 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418452702 1189789718 /nfs/dbraw/zinc/78/97/18/1189789718.db2.gz XXNREBNYLFCOEM-MRXNPFEDSA-N 2 2 391.520 0.662 20 0 GCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)C[C@@H](C)O1 ZINC000418528305 1189816263 /nfs/dbraw/zinc/81/62/63/1189816263.db2.gz VOASOVBRQOPFDB-ZIAGYGMSSA-N 2 2 378.464 0.880 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000660470336 1189842629 /nfs/dbraw/zinc/84/26/29/1189842629.db2.gz OCZLBRYZFRVYOG-HKUYNNGSSA-N 2 2 388.512 0.244 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000660470336 1189842640 /nfs/dbraw/zinc/84/26/40/1189842640.db2.gz OCZLBRYZFRVYOG-HKUYNNGSSA-N 2 2 388.512 0.244 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2)CC1 ZINC000660713383 1189939597 /nfs/dbraw/zinc/93/95/97/1189939597.db2.gz RQCDUJDYDJEZSK-WMZOPIPTSA-N 2 2 392.548 0.744 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2)CC1 ZINC000660713383 1189939600 /nfs/dbraw/zinc/93/96/00/1189939600.db2.gz RQCDUJDYDJEZSK-WMZOPIPTSA-N 2 2 392.548 0.744 20 0 GCADLP CC(C)(CNC(=O)C[NH2+][C@H](C1CC1)C1(CO)CCOCC1)[NH+]1CCOCC1 ZINC000661078806 1189987677 /nfs/dbraw/zinc/98/76/77/1189987677.db2.gz BFNVXSSALZZIDK-GOSISDBHSA-N 2 2 383.533 0.371 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000662711093 1189995793 /nfs/dbraw/zinc/99/57/93/1189995793.db2.gz KRSZITDZXHFZOJ-WGSAOQKQSA-N 2 2 388.512 0.626 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000593331546 1190004435 /nfs/dbraw/zinc/00/44/35/1190004435.db2.gz FOSSJLIFNCALKJ-YOEHRIQHSA-N 2 2 382.505 0.517 20 0 GCADLP CC1(C)CC[NH2+][C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662789479 1190030202 /nfs/dbraw/zinc/03/02/02/1190030202.db2.gz BTPKGHNTYQDWDP-YJBOKZPZSA-N 2 2 388.516 0.786 20 0 GCADLP CC1(C)CC[NH2+][C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662789479 1190030210 /nfs/dbraw/zinc/03/02/10/1190030210.db2.gz BTPKGHNTYQDWDP-YJBOKZPZSA-N 2 2 388.516 0.786 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000549872268 1193741114 /nfs/dbraw/zinc/74/11/14/1193741114.db2.gz ZQUCQNQPILNERS-MRXNPFEDSA-N 2 2 382.549 0.885 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2 ZINC000419234436 1193744200 /nfs/dbraw/zinc/74/42/00/1193744200.db2.gz LYWRFNCNCPYKKK-MRXNPFEDSA-N 2 2 392.500 0.278 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2 ZINC000419234436 1193744202 /nfs/dbraw/zinc/74/42/02/1193744202.db2.gz LYWRFNCNCPYKKK-MRXNPFEDSA-N 2 2 392.500 0.278 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000332988476 1193751140 /nfs/dbraw/zinc/75/11/40/1193751140.db2.gz AOLZVGXRAKSMKC-SFHVURJKSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CC1 ZINC000411386570 1193755650 /nfs/dbraw/zinc/75/56/50/1193755650.db2.gz YQYXIELVSYHSRO-AWEZNQCLSA-N 2 2 396.463 0.230 20 0 GCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000429856818 1193756339 /nfs/dbraw/zinc/75/63/39/1193756339.db2.gz DCGJHHUMDUNZGA-QGZVFWFLSA-N 2 2 392.504 0.097 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419248619 1193763421 /nfs/dbraw/zinc/76/34/21/1193763421.db2.gz XVJPHWHKWIOWOT-AWEZNQCLSA-N 2 2 392.500 0.150 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419248619 1193763424 /nfs/dbraw/zinc/76/34/24/1193763424.db2.gz XVJPHWHKWIOWOT-AWEZNQCLSA-N 2 2 392.500 0.150 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)CO1 ZINC000664051741 1193775255 /nfs/dbraw/zinc/77/52/55/1193775255.db2.gz QWSWPEVEBZPZLQ-HOTGVXAUSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)CO1 ZINC000664051741 1193775261 /nfs/dbraw/zinc/77/52/61/1193775261.db2.gz QWSWPEVEBZPZLQ-HOTGVXAUSA-N 2 2 383.537 0.338 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000509836622 1193792700 /nfs/dbraw/zinc/79/27/00/1193792700.db2.gz UINAMDAMLPURHZ-HNNXBMFYSA-N 2 2 389.500 0.356 20 0 GCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000052364526 1193855754 /nfs/dbraw/zinc/85/57/54/1193855754.db2.gz NGCVBJPLNKJNDE-UHFFFAOYSA-N 2 2 384.484 0.694 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2)CC1 ZINC000664129883 1193856766 /nfs/dbraw/zinc/85/67/66/1193856766.db2.gz KAXBACFRKMPXOX-IRXDYDNUSA-N 2 2 377.533 0.809 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2)CC1 ZINC000664129883 1193856768 /nfs/dbraw/zinc/85/67/68/1193856768.db2.gz KAXBACFRKMPXOX-IRXDYDNUSA-N 2 2 377.533 0.809 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419380525 1193881076 /nfs/dbraw/zinc/88/10/76/1193881076.db2.gz BOCIPSBESGHKBY-KBRIMQKVSA-N 2 2 396.919 0.942 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419380525 1193881081 /nfs/dbraw/zinc/88/10/81/1193881081.db2.gz BOCIPSBESGHKBY-KBRIMQKVSA-N 2 2 396.919 0.942 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419380524 1193881265 /nfs/dbraw/zinc/88/12/65/1193881265.db2.gz BOCIPSBESGHKBY-COXVUDFISA-N 2 2 396.919 0.942 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419380524 1193881274 /nfs/dbraw/zinc/88/12/74/1193881274.db2.gz BOCIPSBESGHKBY-COXVUDFISA-N 2 2 396.919 0.942 20 0 GCADLP C[C@H]1C[N@H+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCO1 ZINC000433504443 1193883451 /nfs/dbraw/zinc/88/34/51/1193883451.db2.gz WRZNNIXBCRISRW-KRWDZBQOSA-N 2 2 394.520 0.838 20 0 GCADLP C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCO1 ZINC000433504443 1193883455 /nfs/dbraw/zinc/88/34/55/1193883455.db2.gz WRZNNIXBCRISRW-KRWDZBQOSA-N 2 2 394.520 0.838 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH3+] ZINC000419388471 1193898032 /nfs/dbraw/zinc/89/80/32/1193898032.db2.gz KQWBZMDAYHQXLF-BASLNEPJSA-N 2 2 394.903 0.634 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH3+] ZINC000419388471 1193898036 /nfs/dbraw/zinc/89/80/36/1193898036.db2.gz KQWBZMDAYHQXLF-BASLNEPJSA-N 2 2 394.903 0.634 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)c2ccc(Cl)cc2)C1 ZINC000419388409 1193898602 /nfs/dbraw/zinc/89/86/02/1193898602.db2.gz KMXLZQQORSBYSG-HOTGVXAUSA-N 2 2 394.903 0.826 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)c2ccc(Cl)cc2)C1 ZINC000419388409 1193898607 /nfs/dbraw/zinc/89/86/07/1193898607.db2.gz KMXLZQQORSBYSG-HOTGVXAUSA-N 2 2 394.903 0.826 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000419388969 1193900296 /nfs/dbraw/zinc/90/02/96/1193900296.db2.gz KUYIPRSWESLTEI-IAOVAPTHSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000419388969 1193900298 /nfs/dbraw/zinc/90/02/98/1193900298.db2.gz KUYIPRSWESLTEI-IAOVAPTHSA-N 2 2 394.903 0.648 20 0 GCADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)C1CCOCC1 ZINC000261769563 1193925964 /nfs/dbraw/zinc/92/59/64/1193925964.db2.gz FOXRNRWIKKWDEW-MJGOQNOKSA-N 2 2 377.485 0.324 20 0 GCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)O1 ZINC000333402625 1193928504 /nfs/dbraw/zinc/92/85/04/1193928504.db2.gz QFDUIVQBLZAMQI-BBWFWOEESA-N 2 2 395.548 0.480 20 0 GCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)O1 ZINC000333402625 1193928508 /nfs/dbraw/zinc/92/85/08/1193928508.db2.gz QFDUIVQBLZAMQI-BBWFWOEESA-N 2 2 395.548 0.480 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000419394050 1193930191 /nfs/dbraw/zinc/93/01/91/1193930191.db2.gz RKNBJVZKBRHLDV-JKSUJKDBSA-N 2 2 382.892 0.683 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000419394050 1193930192 /nfs/dbraw/zinc/93/01/92/1193930192.db2.gz RKNBJVZKBRHLDV-JKSUJKDBSA-N 2 2 382.892 0.683 20 0 GCADLP C[NH+]1CCN(CCCCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664176203 1193950995 /nfs/dbraw/zinc/95/09/95/1193950995.db2.gz SVSJBRAUYSVCOY-IBGZPJMESA-N 2 2 381.565 0.910 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000549942891 1193967849 /nfs/dbraw/zinc/96/78/49/1193967849.db2.gz HZCJTCIWSGBETP-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@H+]1C ZINC000549942891 1193967852 /nfs/dbraw/zinc/96/78/52/1193967852.db2.gz HZCJTCIWSGBETP-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000419397310 1194018615 /nfs/dbraw/zinc/01/86/15/1194018615.db2.gz XHAFTWBAASSTKK-IAGOWNOFSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000419397310 1194018619 /nfs/dbraw/zinc/01/86/19/1194018619.db2.gz XHAFTWBAASSTKK-IAGOWNOFSA-N 2 2 394.903 0.778 20 0 GCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000500987814 1194020364 /nfs/dbraw/zinc/02/03/64/1194020364.db2.gz GLOVWBSPLCRXJH-IYBDPMFKSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000500987814 1194020368 /nfs/dbraw/zinc/02/03/68/1194020368.db2.gz GLOVWBSPLCRXJH-IYBDPMFKSA-N 2 2 383.537 0.338 20 0 GCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419418538 1194022318 /nfs/dbraw/zinc/02/23/18/1194022318.db2.gz LGYXVNSJJBZVOL-UHFFFAOYSA-N 2 2 397.470 0.021 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000419425446 1194026141 /nfs/dbraw/zinc/02/61/41/1194026141.db2.gz VRZGKCXWSCKGJQ-MJGOQNOKSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000419425446 1194026144 /nfs/dbraw/zinc/02/61/44/1194026144.db2.gz VRZGKCXWSCKGJQ-MJGOQNOKSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000419425446 1194026148 /nfs/dbraw/zinc/02/61/48/1194026148.db2.gz VRZGKCXWSCKGJQ-MJGOQNOKSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000419425446 1194026152 /nfs/dbraw/zinc/02/61/52/1194026152.db2.gz VRZGKCXWSCKGJQ-MJGOQNOKSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419411434 1194029526 /nfs/dbraw/zinc/02/95/26/1194029526.db2.gz BSOBKWSFXHOAQD-IEBWSBKVSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419411434 1194029530 /nfs/dbraw/zinc/02/95/30/1194029530.db2.gz BSOBKWSFXHOAQD-IEBWSBKVSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419411434 1194029534 /nfs/dbraw/zinc/02/95/34/1194029534.db2.gz BSOBKWSFXHOAQD-IEBWSBKVSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419411434 1194029538 /nfs/dbraw/zinc/02/95/38/1194029538.db2.gz BSOBKWSFXHOAQD-IEBWSBKVSA-N 2 2 387.528 0.302 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419414445 1194031080 /nfs/dbraw/zinc/03/10/80/1194031080.db2.gz MCLAWHCKNPKYCW-YTQUADARSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419414445 1194031082 /nfs/dbraw/zinc/03/10/82/1194031082.db2.gz MCLAWHCKNPKYCW-YTQUADARSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419455459 1194033182 /nfs/dbraw/zinc/03/31/82/1194033182.db2.gz WZIYPCUZUCBRIV-CQSZACIVSA-N 2 2 383.443 0.024 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419500629 1194046280 /nfs/dbraw/zinc/04/62/80/1194046280.db2.gz BWTYLQWKASHOBX-HNNXBMFYSA-N 2 2 379.480 0.036 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419503670 1194046996 /nfs/dbraw/zinc/04/69/96/1194046996.db2.gz HWPFEBQFYDITPH-RDJZCZTQSA-N 2 2 391.491 0.321 20 0 GCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419505168 1194047915 /nfs/dbraw/zinc/04/79/15/1194047915.db2.gz LEBHISLIBUISQT-SFHVURJKSA-N 2 2 391.491 0.404 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419508960 1194048538 /nfs/dbraw/zinc/04/85/38/1194048538.db2.gz RTAZXNDXCBMOOU-KRWDZBQOSA-N 2 2 393.507 0.554 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)[C@H](C)C[NH2+]1 ZINC000419512268 1194050830 /nfs/dbraw/zinc/05/08/30/1194050830.db2.gz WZJXNZUUOJQQHM-HZPDHXFCSA-N 2 2 391.491 0.273 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419647868 1194076226 /nfs/dbraw/zinc/07/62/26/1194076226.db2.gz RUVXNCDSJPQHCR-PBHICJAKSA-N 2 2 385.468 0.777 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1c1ccccc1 ZINC000419733969 1194089872 /nfs/dbraw/zinc/08/98/72/1194089872.db2.gz URMZAJOWUFFFEB-OKZBNKHCSA-N 2 2 379.464 0.730 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000419829270 1194115120 /nfs/dbraw/zinc/11/51/20/1194115120.db2.gz SRZXCPDWBFXDRN-ZACQAIPSSA-N 2 2 388.512 0.732 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000419829270 1194115125 /nfs/dbraw/zinc/11/51/25/1194115125.db2.gz SRZXCPDWBFXDRN-ZACQAIPSSA-N 2 2 388.512 0.732 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC[NH2+]1 ZINC000419829261 1194115580 /nfs/dbraw/zinc/11/55/80/1194115580.db2.gz SRZXCPDWBFXDRN-BRWVUGGUSA-N 2 2 388.512 0.732 20 0 GCADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000419859689 1194123511 /nfs/dbraw/zinc/12/35/11/1194123511.db2.gz ZLODZZWKPOYCPW-UHFFFAOYSA-N 2 2 390.532 0.313 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1Cl ZINC000419863847 1194125566 /nfs/dbraw/zinc/12/55/66/1194125566.db2.gz IIYBMZIFLCITJC-KRWDZBQOSA-N 2 2 395.935 0.470 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419896988 1194135910 /nfs/dbraw/zinc/13/59/10/1194135910.db2.gz VEJHSLSZXOOMQJ-ZWKOTPCHSA-N 3 2 381.565 0.508 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419896988 1194135914 /nfs/dbraw/zinc/13/59/14/1194135914.db2.gz VEJHSLSZXOOMQJ-ZWKOTPCHSA-N 3 2 381.565 0.508 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000419910406 1194142330 /nfs/dbraw/zinc/14/23/30/1194142330.db2.gz HVHJHYBCSGLVCA-INIZCTEOSA-N 2 2 388.516 0.673 20 0 GCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000420007541 1194156503 /nfs/dbraw/zinc/15/65/03/1194156503.db2.gz ZLGRJXDUSRPVIB-KRWDZBQOSA-N 2 2 390.532 0.443 20 0 GCADLP CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000420007541 1194156508 /nfs/dbraw/zinc/15/65/08/1194156508.db2.gz ZLGRJXDUSRPVIB-KRWDZBQOSA-N 2 2 390.532 0.443 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000420010258 1194157133 /nfs/dbraw/zinc/15/71/33/1194157133.db2.gz GQCMQGSHGYWMIZ-OAHLLOKOSA-N 2 2 376.505 0.657 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420022163 1194157735 /nfs/dbraw/zinc/15/77/35/1194157735.db2.gz VEVWZUIQMXOTFA-SJORKVTESA-N 2 2 395.548 0.023 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420022163 1194157737 /nfs/dbraw/zinc/15/77/37/1194157737.db2.gz VEVWZUIQMXOTFA-SJORKVTESA-N 2 2 395.548 0.023 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)c1 ZINC000420023998 1194158819 /nfs/dbraw/zinc/15/88/19/1194158819.db2.gz BARYMVNMNZLXJT-FUHWJXTLSA-N 2 2 388.512 0.868 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000420032348 1194160954 /nfs/dbraw/zinc/16/09/54/1194160954.db2.gz HWIHTEOVRLKCNR-ZNMIVQPWSA-N 2 2 377.489 0.430 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420044518 1194167515 /nfs/dbraw/zinc/16/75/15/1194167515.db2.gz TZRSAPIRVMJXOB-SOLBZPMBSA-N 2 2 388.512 0.949 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420044518 1194167518 /nfs/dbraw/zinc/16/75/18/1194167518.db2.gz TZRSAPIRVMJXOB-SOLBZPMBSA-N 2 2 388.512 0.949 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420074834 1194173213 /nfs/dbraw/zinc/17/32/13/1194173213.db2.gz ZYFPCQBLRPZDGY-AEFFLSMTSA-N 2 2 388.512 0.603 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000420109283 1194180873 /nfs/dbraw/zinc/18/08/73/1194180873.db2.gz YUNPVYOXFAYFCH-WMLDXEAASA-N 2 2 380.439 0.691 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000420134286 1194184127 /nfs/dbraw/zinc/18/41/27/1194184127.db2.gz BKCRBZJJCWDIBY-MRXNPFEDSA-N 2 2 383.537 0.023 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000420134286 1194184131 /nfs/dbraw/zinc/18/41/31/1194184131.db2.gz BKCRBZJJCWDIBY-MRXNPFEDSA-N 2 2 383.537 0.023 20 0 GCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000420153128 1194194466 /nfs/dbraw/zinc/19/44/66/1194194466.db2.gz ASRSUHZETQWOBC-DLBZAZTESA-N 2 2 380.533 0.594 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000420194172 1194208308 /nfs/dbraw/zinc/20/83/08/1194208308.db2.gz ZXXKUERMJUPXLW-MRXNPFEDSA-N 2 2 392.500 0.253 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501648042 1194219062 /nfs/dbraw/zinc/21/90/62/1194219062.db2.gz XPZCLUFLBRHIGS-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501648042 1194219065 /nfs/dbraw/zinc/21/90/65/1194219065.db2.gz XPZCLUFLBRHIGS-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501648042 1194219069 /nfs/dbraw/zinc/21/90/69/1194219069.db2.gz XPZCLUFLBRHIGS-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501648042 1194219074 /nfs/dbraw/zinc/21/90/74/1194219074.db2.gz XPZCLUFLBRHIGS-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420355423 1194223629 /nfs/dbraw/zinc/22/36/29/1194223629.db2.gz FANFWQFAXOWQOY-MRXNPFEDSA-N 2 2 382.530 0.483 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373869 1194225277 /nfs/dbraw/zinc/22/52/77/1194225277.db2.gz GYVLJCMXWBSWJC-RTBURBONSA-N 3 2 385.516 0.793 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373869 1194225280 /nfs/dbraw/zinc/22/52/80/1194225280.db2.gz GYVLJCMXWBSWJC-RTBURBONSA-N 3 2 385.516 0.793 20 0 GCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NCCOc3cccc(F)c3)C2)nn1 ZINC000420386545 1194225952 /nfs/dbraw/zinc/22/59/52/1194225952.db2.gz UYRVIDQYVNZIPF-INIZCTEOSA-N 2 2 376.436 0.708 20 0 GCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NCCOc3cccc(F)c3)C2)nn1 ZINC000420386545 1194225954 /nfs/dbraw/zinc/22/59/54/1194225954.db2.gz UYRVIDQYVNZIPF-INIZCTEOSA-N 2 2 376.436 0.708 20 0 GCADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)NCCCc1ccccc1 ZINC000420395018 1194226667 /nfs/dbraw/zinc/22/66/67/1194226667.db2.gz BKICEZWKDSCORQ-UXHICEINSA-N 2 2 399.539 0.956 20 0 GCADLP O=C(C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)NCCCc1ccccc1 ZINC000420395018 1194226670 /nfs/dbraw/zinc/22/66/70/1194226670.db2.gz BKICEZWKDSCORQ-UXHICEINSA-N 2 2 399.539 0.956 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420390648 1194226688 /nfs/dbraw/zinc/22/66/88/1194226688.db2.gz ACBAHXGDHJRBQF-VNHYZAJKSA-N 2 2 380.514 0.528 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420390648 1194226692 /nfs/dbraw/zinc/22/66/92/1194226692.db2.gz ACBAHXGDHJRBQF-VNHYZAJKSA-N 2 2 380.514 0.528 20 0 GCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000420771570 1194261591 /nfs/dbraw/zinc/26/15/91/1194261591.db2.gz SEEXNFSLWFACKU-QGZVFWFLSA-N 2 2 380.533 0.690 20 0 GCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000420771570 1194261593 /nfs/dbraw/zinc/26/15/93/1194261593.db2.gz SEEXNFSLWFACKU-QGZVFWFLSA-N 2 2 380.533 0.690 20 0 GCADLP NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420918746 1194275003 /nfs/dbraw/zinc/27/50/03/1194275003.db2.gz XOBKAIPQXVDZEE-SFHVURJKSA-N 2 2 382.530 0.524 20 0 GCADLP NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420918746 1194275006 /nfs/dbraw/zinc/27/50/06/1194275006.db2.gz XOBKAIPQXVDZEE-SFHVURJKSA-N 2 2 382.530 0.524 20 0 GCADLP NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420913949 1194276321 /nfs/dbraw/zinc/27/63/21/1194276321.db2.gz JIYYRWIYHLDXFO-SFHVURJKSA-N 2 2 382.530 0.524 20 0 GCADLP NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420913949 1194276324 /nfs/dbraw/zinc/27/63/24/1194276324.db2.gz JIYYRWIYHLDXFO-SFHVURJKSA-N 2 2 382.530 0.524 20 0 GCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](NC(C)=O)C3)CC2)cc1 ZINC000420961330 1194277645 /nfs/dbraw/zinc/27/76/45/1194277645.db2.gz SFHQPUZJLJIMFX-LJQANCHMSA-N 2 2 388.512 0.940 20 0 GCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](NC(C)=O)C3)CC2)cc1 ZINC000420961330 1194277649 /nfs/dbraw/zinc/27/76/49/1194277649.db2.gz SFHQPUZJLJIMFX-LJQANCHMSA-N 2 2 388.512 0.940 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](NC(C)=O)C3)CC2)cc1 ZINC000420961330 1194277653 /nfs/dbraw/zinc/27/76/53/1194277653.db2.gz SFHQPUZJLJIMFX-LJQANCHMSA-N 2 2 388.512 0.940 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](NC(C)=O)C3)CC2)cc1 ZINC000420961330 1194277657 /nfs/dbraw/zinc/27/76/57/1194277657.db2.gz SFHQPUZJLJIMFX-LJQANCHMSA-N 2 2 388.512 0.940 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(CCNS(=O)(=O)CCCOC)CC2)CC1 ZINC000420983778 1194278488 /nfs/dbraw/zinc/27/84/88/1194278488.db2.gz RPHMFPINISORCW-UHFFFAOYSA-N 2 2 390.594 0.434 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(CCNS(=O)(=O)CCCOC)CC2)CC1 ZINC000420983778 1194278492 /nfs/dbraw/zinc/27/84/92/1194278492.db2.gz RPHMFPINISORCW-UHFFFAOYSA-N 2 2 390.594 0.434 20 0 GCADLP CC[NH+]1CCC(N2CCC[N@H+](CCNS(=O)(=O)CCCOC)CC2)CC1 ZINC000420983778 1194278494 /nfs/dbraw/zinc/27/84/94/1194278494.db2.gz RPHMFPINISORCW-UHFFFAOYSA-N 2 2 390.594 0.434 20 0 GCADLP CC[NH+]1CCC(N2CCC[N@@H+](CCNS(=O)(=O)CCCOC)CC2)CC1 ZINC000420983778 1194278497 /nfs/dbraw/zinc/27/84/97/1194278497.db2.gz RPHMFPINISORCW-UHFFFAOYSA-N 2 2 390.594 0.434 20 0 GCADLP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420980736 1194278771 /nfs/dbraw/zinc/27/87/71/1194278771.db2.gz XJMGYGQEPPNYII-GOSISDBHSA-N 2 2 375.469 0.772 20 0 GCADLP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420980736 1194278774 /nfs/dbraw/zinc/27/87/74/1194278774.db2.gz XJMGYGQEPPNYII-GOSISDBHSA-N 2 2 375.469 0.772 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3nc(N)nc(N(C)C)n3)CC2)CC1 ZINC000420985143 1194278801 /nfs/dbraw/zinc/27/88/01/1194278801.db2.gz VOLNREKHPXVMPI-HNNXBMFYSA-N 2 2 376.553 1.073 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3nc(N)nc(N(C)C)n3)CC2)CC1 ZINC000420985143 1194278804 /nfs/dbraw/zinc/27/88/04/1194278804.db2.gz VOLNREKHPXVMPI-HNNXBMFYSA-N 2 2 376.553 1.073 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCN(C)CC1 ZINC000421249665 1194317309 /nfs/dbraw/zinc/31/73/09/1194317309.db2.gz MLLFZNRAXALBOB-ROUUACIJSA-N 2 2 381.565 0.316 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+]1CCN(C)CC1 ZINC000421249665 1194317316 /nfs/dbraw/zinc/31/73/16/1194317316.db2.gz MLLFZNRAXALBOB-ROUUACIJSA-N 2 2 381.565 0.316 20 0 GCADLP CCCCS(=O)(=O)NCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015102 1194376179 /nfs/dbraw/zinc/37/61/79/1194376179.db2.gz GQBJDJAEFOIGHB-UHFFFAOYSA-N 2 2 388.578 0.725 20 0 GCADLP CCCCS(=O)(=O)NCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015102 1194376183 /nfs/dbraw/zinc/37/61/83/1194376183.db2.gz GQBJDJAEFOIGHB-UHFFFAOYSA-N 2 2 388.578 0.725 20 0 GCADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000503183690 1194403712 /nfs/dbraw/zinc/40/37/12/1194403712.db2.gz URAASZSTAAABIM-KBPBESRZSA-N 2 2 379.505 0.339 20 0 GCADLP CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000545915034 1194515986 /nfs/dbraw/zinc/51/59/86/1194515986.db2.gz RSNJJJPPBVPLHN-MSOLQXFVSA-N 2 2 391.578 0.765 20 0 GCADLP CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000545915034 1194515988 /nfs/dbraw/zinc/51/59/88/1194515988.db2.gz RSNJJJPPBVPLHN-MSOLQXFVSA-N 2 2 391.578 0.765 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000273031088 1194532362 /nfs/dbraw/zinc/53/23/62/1194532362.db2.gz DOSFQZZCIWMOSL-QGZVFWFLSA-N 2 2 388.512 0.659 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000422306309 1194605122 /nfs/dbraw/zinc/60/51/22/1194605122.db2.gz YZHAOVGSPZMEOK-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000422306309 1194605124 /nfs/dbraw/zinc/60/51/24/1194605124.db2.gz YZHAOVGSPZMEOK-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000422306309 1194605127 /nfs/dbraw/zinc/60/51/27/1194605127.db2.gz YZHAOVGSPZMEOK-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000422306309 1194605129 /nfs/dbraw/zinc/60/51/29/1194605129.db2.gz YZHAOVGSPZMEOK-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000422321628 1194613519 /nfs/dbraw/zinc/61/35/19/1194613519.db2.gz XNTDBMSXUGAOCN-PKOBYXMFSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000422321628 1194613522 /nfs/dbraw/zinc/61/35/22/1194613522.db2.gz XNTDBMSXUGAOCN-PKOBYXMFSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000422321628 1194613526 /nfs/dbraw/zinc/61/35/26/1194613526.db2.gz XNTDBMSXUGAOCN-PKOBYXMFSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000422321628 1194613529 /nfs/dbraw/zinc/61/35/29/1194613529.db2.gz XNTDBMSXUGAOCN-PKOBYXMFSA-N 2 2 387.528 0.081 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000503299697 1194623676 /nfs/dbraw/zinc/62/36/76/1194623676.db2.gz ZYSQNUCDWBPEQG-SFHVURJKSA-N 2 2 397.564 0.633 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000503299697 1194623680 /nfs/dbraw/zinc/62/36/80/1194623680.db2.gz ZYSQNUCDWBPEQG-SFHVURJKSA-N 2 2 397.564 0.633 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000503299695 1194623825 /nfs/dbraw/zinc/62/38/25/1194623825.db2.gz ZYSQNUCDWBPEQG-GOSISDBHSA-N 2 2 397.564 0.633 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000503299695 1194623827 /nfs/dbraw/zinc/62/38/27/1194623827.db2.gz ZYSQNUCDWBPEQG-GOSISDBHSA-N 2 2 397.564 0.633 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000422380865 1194630479 /nfs/dbraw/zinc/63/04/79/1194630479.db2.gz RMMQWNAOADCVCV-UHFFFAOYSA-N 2 2 398.548 0.030 20 0 GCADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000422426950 1194638626 /nfs/dbraw/zinc/63/86/26/1194638626.db2.gz PUHLOCZWCVOOJF-OAHLLOKOSA-N 2 2 375.498 0.966 20 0 GCADLP CC(C)(CC[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000422597834 1194676844 /nfs/dbraw/zinc/67/68/44/1194676844.db2.gz LXPKVNLMXAKBCE-OAHLLOKOSA-N 2 2 391.520 0.709 20 0 GCADLP CC(C)(CC[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000422597834 1194676847 /nfs/dbraw/zinc/67/68/47/1194676847.db2.gz LXPKVNLMXAKBCE-OAHLLOKOSA-N 2 2 391.520 0.709 20 0 GCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000422760027 1194695401 /nfs/dbraw/zinc/69/54/01/1194695401.db2.gz LKQDISHYGAFWGN-HKUYNNGSSA-N 2 2 377.485 0.781 20 0 GCADLP O=C1CCc2cc(OC[C@H](O)C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)ccc2N1 ZINC000422905801 1194706512 /nfs/dbraw/zinc/70/65/12/1194706512.db2.gz SVEBSZSFKJSEIZ-ZTNFWEORSA-N 2 2 375.469 0.668 20 0 GCADLP Cc1cc(CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc(C)[nH+]1 ZINC000422972437 1194714038 /nfs/dbraw/zinc/71/40/38/1194714038.db2.gz LPQGABMFYGGYBM-CQSZACIVSA-N 2 2 387.406 0.267 20 0 GCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423029990 1194719852 /nfs/dbraw/zinc/71/98/52/1194719852.db2.gz AZUCOTOPRNJFSM-KRWDZBQOSA-N 2 2 376.476 0.928 20 0 GCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423029990 1194719856 /nfs/dbraw/zinc/71/98/56/1194719856.db2.gz AZUCOTOPRNJFSM-KRWDZBQOSA-N 2 2 376.476 0.928 20 0 GCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCCO1 ZINC000423049725 1194724832 /nfs/dbraw/zinc/72/48/32/1194724832.db2.gz KOHWPUYAVSMYNW-SFHVURJKSA-N 2 2 392.475 0.436 20 0 GCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCCO1 ZINC000423049725 1194724836 /nfs/dbraw/zinc/72/48/36/1194724836.db2.gz KOHWPUYAVSMYNW-SFHVURJKSA-N 2 2 392.475 0.436 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)c1 ZINC000423263720 1194742701 /nfs/dbraw/zinc/74/27/01/1194742701.db2.gz XQTYJUBEPAKPAM-CRAIPNDOSA-N 2 2 390.484 0.087 20 0 GCADLP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000414727746 1194743696 /nfs/dbraw/zinc/74/36/96/1194743696.db2.gz BNYPBLLZYPMESR-INIZCTEOSA-N 2 2 380.514 0.190 20 0 GCADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)cn1 ZINC000423266756 1194745412 /nfs/dbraw/zinc/74/54/12/1194745412.db2.gz CHZAXGCBRWXSAX-UHFFFAOYSA-N 2 2 390.532 0.538 20 0 GCADLP CCCn1cc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)cn1 ZINC000423266756 1194745416 /nfs/dbraw/zinc/74/54/16/1194745416.db2.gz CHZAXGCBRWXSAX-UHFFFAOYSA-N 2 2 390.532 0.538 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423300020 1194748004 /nfs/dbraw/zinc/74/80/04/1194748004.db2.gz QVSMOODUUCYLJU-QUCCMNQESA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423300020 1194748007 /nfs/dbraw/zinc/74/80/07/1194748007.db2.gz QVSMOODUUCYLJU-QUCCMNQESA-N 2 2 399.539 0.225 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423358228 1194751032 /nfs/dbraw/zinc/75/10/32/1194751032.db2.gz BMQQDTJZMVJMBF-UHFFFAOYSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423368471 1194751704 /nfs/dbraw/zinc/75/17/04/1194751704.db2.gz NFROASFWYMERCJ-ZWKOTPCHSA-N 2 2 380.533 0.404 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000423470506 1194758618 /nfs/dbraw/zinc/75/86/18/1194758618.db2.gz WGQZIRAHDRHBHM-KRWDZBQOSA-N 3 2 393.576 0.461 20 0 GCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517636 1194762185 /nfs/dbraw/zinc/76/21/85/1194762185.db2.gz OFQDXRKDUWVIHA-AEFFLSMTSA-N 3 2 397.589 0.471 20 0 GCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517681 1194762424 /nfs/dbraw/zinc/76/24/24/1194762424.db2.gz OFQDXRKDUWVIHA-SJLPKXTDSA-N 3 2 397.589 0.471 20 0 GCADLP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423541625 1194765016 /nfs/dbraw/zinc/76/50/16/1194765016.db2.gz FRASDDIZDBZGPX-VQIMIIECSA-N 2 2 387.528 0.881 20 0 GCADLP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423541625 1194765019 /nfs/dbraw/zinc/76/50/19/1194765019.db2.gz FRASDDIZDBZGPX-VQIMIIECSA-N 2 2 387.528 0.881 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000423588793 1194771675 /nfs/dbraw/zinc/77/16/75/1194771675.db2.gz BIBUIRGTTOGZPT-QGZVFWFLSA-N 3 2 393.576 0.461 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423612304 1194773515 /nfs/dbraw/zinc/77/35/15/1194773515.db2.gz PIPHHKKABHCRMX-UYAOXDASSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000423612304 1194773517 /nfs/dbraw/zinc/77/35/17/1194773517.db2.gz PIPHHKKABHCRMX-UYAOXDASSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423634941 1194776196 /nfs/dbraw/zinc/77/61/96/1194776196.db2.gz QZTUBISYGCPTNH-UONOGXRCSA-N 2 2 394.438 0.308 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000423667397 1194781805 /nfs/dbraw/zinc/78/18/05/1194781805.db2.gz NWMZIGMSPAXVLJ-UHFFFAOYSA-N 2 2 376.501 0.543 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000423681481 1194785404 /nfs/dbraw/zinc/78/54/04/1194785404.db2.gz VHDGMECZAGFVAH-YTQUADARSA-N 2 2 388.512 0.684 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000423681481 1194785406 /nfs/dbraw/zinc/78/54/06/1194785406.db2.gz VHDGMECZAGFVAH-YTQUADARSA-N 2 2 388.512 0.684 20 0 GCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000423758309 1194792158 /nfs/dbraw/zinc/79/21/58/1194792158.db2.gz MZFVZXBNSRLNPG-IKGGRYGDSA-N 2 2 388.516 0.786 20 0 GCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000423758309 1194792159 /nfs/dbraw/zinc/79/21/59/1194792159.db2.gz MZFVZXBNSRLNPG-IKGGRYGDSA-N 2 2 388.516 0.786 20 0 GCADLP [NH3+]CC[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC000423733139 1194792171 /nfs/dbraw/zinc/79/21/71/1194792171.db2.gz BIYCJRKRQFBRSU-CYBMUJFWSA-N 2 2 387.406 0.906 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424549412 1194823962 /nfs/dbraw/zinc/82/39/62/1194823962.db2.gz MHJBQMGKZJZCNZ-ROUUACIJSA-N 2 2 394.560 0.840 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514225097 1194858016 /nfs/dbraw/zinc/85/80/16/1194858016.db2.gz LGSGVVJXGPMUNZ-GOSISDBHSA-N 3 2 390.532 0.614 20 0 GCADLP COC[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000434790399 1194869899 /nfs/dbraw/zinc/86/98/99/1194869899.db2.gz UIFXYCWQZMVYNW-WOJBJXKFSA-N 2 2 391.512 0.919 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000514663893 1194891952 /nfs/dbraw/zinc/89/19/52/1194891952.db2.gz OEDYXSVSGGDKKQ-ZWKOTPCHSA-N 2 2 387.528 0.511 20 0 GCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000514778680 1194907775 /nfs/dbraw/zinc/90/77/75/1194907775.db2.gz JFSABWZXZJVUPK-QGZVFWFLSA-N 2 2 375.521 0.724 20 0 GCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000514778680 1194907776 /nfs/dbraw/zinc/90/77/76/1194907776.db2.gz JFSABWZXZJVUPK-QGZVFWFLSA-N 2 2 375.521 0.724 20 0 GCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000435307680 1194915214 /nfs/dbraw/zinc/91/52/14/1194915214.db2.gz RFQVZNPCFGXULP-IAGOWNOFSA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000435307680 1194915216 /nfs/dbraw/zinc/91/52/16/1194915216.db2.gz RFQVZNPCFGXULP-IAGOWNOFSA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000435307680 1194915218 /nfs/dbraw/zinc/91/52/18/1194915218.db2.gz RFQVZNPCFGXULP-IAGOWNOFSA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000435307680 1194915222 /nfs/dbraw/zinc/91/52/22/1194915222.db2.gz RFQVZNPCFGXULP-IAGOWNOFSA-N 2 2 383.537 0.324 20 0 GCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000514860273 1194921700 /nfs/dbraw/zinc/92/17/00/1194921700.db2.gz MXSCKAMMKUWHGS-MOPGFXCFSA-N 2 2 384.484 0.801 20 0 GCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000514860273 1194921703 /nfs/dbraw/zinc/92/17/03/1194921703.db2.gz MXSCKAMMKUWHGS-MOPGFXCFSA-N 2 2 384.484 0.801 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000435585813 1194946272 /nfs/dbraw/zinc/94/62/72/1194946272.db2.gz VBKANMJBGQYPLT-BRWVUGGUSA-N 2 2 386.537 0.209 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)CO1 ZINC000664552975 1195002975 /nfs/dbraw/zinc/00/29/75/1195002975.db2.gz WONBSXQWKWVSNK-HOTGVXAUSA-N 2 2 379.505 0.930 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)CO1 ZINC000664552975 1195002979 /nfs/dbraw/zinc/00/29/79/1195002979.db2.gz WONBSXQWKWVSNK-HOTGVXAUSA-N 2 2 379.505 0.930 20 0 GCADLP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000515899867 1195007520 /nfs/dbraw/zinc/00/75/20/1195007520.db2.gz RWEYHWQEWLOEHQ-UHFFFAOYSA-N 2 2 375.521 0.772 20 0 GCADLP Cn1cc([C@H](CO)[NH2+]CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cn1 ZINC000366644873 1195016585 /nfs/dbraw/zinc/01/65/85/1195016585.db2.gz RNGLCDHSGOAAEJ-KRWDZBQOSA-N 2 2 379.505 0.194 20 0 GCADLP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000516632740 1195079157 /nfs/dbraw/zinc/07/91/57/1195079157.db2.gz MFZMPEOZTPGKBD-UHFFFAOYSA-N 2 2 375.517 0.878 20 0 GCADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000516766279 1195092346 /nfs/dbraw/zinc/09/23/46/1195092346.db2.gz FWWQTCHQBMYRLH-UHFFFAOYSA-N 2 2 387.484 0.871 20 0 GCADLP Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437434886 1195110564 /nfs/dbraw/zinc/11/05/64/1195110564.db2.gz WQDOYTFPQNIHSF-UHFFFAOYSA-N 2 2 377.489 0.117 20 0 GCADLP Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437434886 1195110566 /nfs/dbraw/zinc/11/05/66/1195110566.db2.gz WQDOYTFPQNIHSF-UHFFFAOYSA-N 2 2 377.489 0.117 20 0 GCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(=O)n(C)c1 ZINC000437459937 1195112648 /nfs/dbraw/zinc/11/26/48/1195112648.db2.gz FHIVOLVUXSUASS-UHFFFAOYSA-N 2 2 377.489 0.117 20 0 GCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(=O)n(C)c1 ZINC000437459937 1195112649 /nfs/dbraw/zinc/11/26/49/1195112649.db2.gz FHIVOLVUXSUASS-UHFFFAOYSA-N 2 2 377.489 0.117 20 0 GCADLP O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000516930455 1195114294 /nfs/dbraw/zinc/11/42/94/1195114294.db2.gz OZRKOMDAEJDPJE-VQTJNVASSA-N 2 2 384.524 0.950 20 0 GCADLP C[C@H](CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395780 1195115142 /nfs/dbraw/zinc/11/51/42/1195115142.db2.gz YHPNRKBZAGEUBD-FVCCEPFGSA-N 2 2 386.447 0.978 20 0 GCADLP C[C@H](CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395780 1195115143 /nfs/dbraw/zinc/11/51/43/1195115143.db2.gz YHPNRKBZAGEUBD-FVCCEPFGSA-N 2 2 386.447 0.978 20 0 GCADLP C[C@@H]1CN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)[N@H+]1CCO ZINC000516955126 1195117124 /nfs/dbraw/zinc/11/71/24/1195117124.db2.gz QKTYYATVNGTLIJ-CALCHBBNSA-N 2 2 390.532 0.430 20 0 GCADLP C[C@@H]1CN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)[N@@H+]1CCO ZINC000516955126 1195117128 /nfs/dbraw/zinc/11/71/28/1195117128.db2.gz QKTYYATVNGTLIJ-CALCHBBNSA-N 2 2 390.532 0.430 20 0 GCADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652736319 1195128087 /nfs/dbraw/zinc/12/80/87/1195128087.db2.gz DCYNKNZMJCDVAT-CEXWTWQISA-N 2 2 388.512 0.194 20 0 GCADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652736319 1195128090 /nfs/dbraw/zinc/12/80/90/1195128090.db2.gz DCYNKNZMJCDVAT-CEXWTWQISA-N 2 2 388.512 0.194 20 0 GCADLP C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000517136425 1195140823 /nfs/dbraw/zinc/14/08/23/1195140823.db2.gz JZKNHJBHLSQVHO-IRXDYDNUSA-N 2 2 381.521 0.045 20 0 GCADLP C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000517136424 1195140951 /nfs/dbraw/zinc/14/09/51/1195140951.db2.gz JZKNHJBHLSQVHO-IAGOWNOFSA-N 2 2 381.521 0.045 20 0 GCADLP CCS(=O)(=O)N1CCC(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000664651795 1195149007 /nfs/dbraw/zinc/14/90/07/1195149007.db2.gz AIHXJDVPQSSTFQ-UHFFFAOYSA-N 2 2 391.582 0.231 20 0 GCADLP CCS(=O)(=O)N1CCC(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664651795 1195149010 /nfs/dbraw/zinc/14/90/10/1195149010.db2.gz AIHXJDVPQSSTFQ-UHFFFAOYSA-N 2 2 391.582 0.231 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000517250361 1195164891 /nfs/dbraw/zinc/16/48/91/1195164891.db2.gz UNWVPYZXHLTJBG-QRVBRYPASA-N 2 2 394.560 0.935 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000517250361 1195164895 /nfs/dbraw/zinc/16/48/95/1195164895.db2.gz UNWVPYZXHLTJBG-QRVBRYPASA-N 2 2 394.560 0.935 20 0 GCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000425961727 1195196454 /nfs/dbraw/zinc/19/64/54/1195196454.db2.gz DEPARERZIYDQRA-QGZVFWFLSA-N 2 2 379.505 0.932 20 0 GCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000425961727 1195196455 /nfs/dbraw/zinc/19/64/55/1195196455.db2.gz DEPARERZIYDQRA-QGZVFWFLSA-N 2 2 379.505 0.932 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)CC1 ZINC000550000603 1195205700 /nfs/dbraw/zinc/20/57/00/1195205700.db2.gz MJCQFPRXHIRQHP-INIZCTEOSA-N 2 2 392.500 0.587 20 0 GCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438331947 1195206414 /nfs/dbraw/zinc/20/64/14/1195206414.db2.gz PHIZGXCKUWPUSA-QGZVFWFLSA-N 2 2 378.521 1.553 20 0 GCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438331947 1195206416 /nfs/dbraw/zinc/20/64/16/1195206416.db2.gz PHIZGXCKUWPUSA-QGZVFWFLSA-N 2 2 378.521 1.553 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000414928428 1195211828 /nfs/dbraw/zinc/21/18/28/1195211828.db2.gz NCGNHZTTWDQDLP-UHFFFAOYSA-N 2 2 378.473 0.532 20 0 GCADLP CN(C(=O)Cc1cccs1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517986104 1195235056 /nfs/dbraw/zinc/23/50/56/1195235056.db2.gz WTTOYZBGPRLMRF-UHFFFAOYSA-N 2 2 378.542 0.987 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000518137662 1195251744 /nfs/dbraw/zinc/25/17/44/1195251744.db2.gz YSOPCIWTTOQRDA-UXHICEINSA-N 2 2 387.528 0.577 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000518137662 1195251747 /nfs/dbraw/zinc/25/17/47/1195251747.db2.gz YSOPCIWTTOQRDA-UXHICEINSA-N 2 2 387.528 0.577 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000518137661 1195251821 /nfs/dbraw/zinc/25/18/21/1195251821.db2.gz YSOPCIWTTOQRDA-PMACEKPBSA-N 2 2 387.528 0.577 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000518137661 1195251823 /nfs/dbraw/zinc/25/18/23/1195251823.db2.gz YSOPCIWTTOQRDA-PMACEKPBSA-N 2 2 387.528 0.577 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715729 1195323915 /nfs/dbraw/zinc/32/39/15/1195323915.db2.gz NRIUABVCHNWBOA-BVBHFADKSA-N 2 2 386.496 0.355 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715729 1195323918 /nfs/dbraw/zinc/32/39/18/1195323918.db2.gz NRIUABVCHNWBOA-BVBHFADKSA-N 2 2 386.496 0.355 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715729 1195323922 /nfs/dbraw/zinc/32/39/22/1195323922.db2.gz NRIUABVCHNWBOA-BVBHFADKSA-N 2 2 386.496 0.355 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715729 1195323925 /nfs/dbraw/zinc/32/39/25/1195323925.db2.gz NRIUABVCHNWBOA-BVBHFADKSA-N 2 2 386.496 0.355 20 0 GCADLP COCCC(=O)N1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000426434727 1195334868 /nfs/dbraw/zinc/33/48/68/1195334868.db2.gz ITZDZRIZCVAKOG-UHFFFAOYSA-N 2 2 397.564 0.681 20 0 GCADLP COCCC(=O)N1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000426434727 1195334873 /nfs/dbraw/zinc/33/48/73/1195334873.db2.gz ITZDZRIZCVAKOG-UHFFFAOYSA-N 2 2 397.564 0.681 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000298889859 1195384584 /nfs/dbraw/zinc/38/45/84/1195384584.db2.gz ACHBXTVQIYIADE-INIZCTEOSA-N 2 2 394.491 0.241 20 0 GCADLP C[NH+]1CCN(c2ncc(C[NH2+]CCS(=O)(=O)Cc3ccccc3)cn2)CC1 ZINC001648955485 1195429015 /nfs/dbraw/zinc/42/90/15/1195429015.db2.gz DZSQZKBICGQTGZ-UHFFFAOYSA-N 2 2 389.525 0.933 20 0 GCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000550083507 1195431346 /nfs/dbraw/zinc/43/13/46/1195431346.db2.gz ISQJXNVYAHBKPS-UHFFFAOYSA-N 2 2 385.468 0.272 20 0 GCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000550088212 1195432462 /nfs/dbraw/zinc/43/24/62/1195432462.db2.gz XNAQFDDAKFKQMN-LJQANCHMSA-N 2 2 388.512 0.688 20 0 GCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000550132371 1195443975 /nfs/dbraw/zinc/44/39/75/1195443975.db2.gz GSGHJDRGQGFNBS-QGZVFWFLSA-N 2 2 388.512 0.688 20 0 GCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000550132371 1195443978 /nfs/dbraw/zinc/44/39/78/1195443978.db2.gz GSGHJDRGQGFNBS-QGZVFWFLSA-N 2 2 388.512 0.688 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@@H]1[NH+](C)C ZINC000519556664 1195445576 /nfs/dbraw/zinc/44/55/76/1195445576.db2.gz PCJKMOFIVAKSTN-AEFFLSMTSA-N 2 2 383.496 0.999 20 0 GCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)CC1 ZINC000121254247 1195452421 /nfs/dbraw/zinc/45/24/21/1195452421.db2.gz XVVUJMGLZLRPNU-UHFFFAOYSA-N 2 2 376.476 0.928 20 0 GCADLP CN(C(=O)C(=O)NCc1cc[nH]n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550203288 1195460308 /nfs/dbraw/zinc/46/03/08/1195460308.db2.gz AJKCVCSTHBYFKV-ZWKOTPCHSA-N 2 2 390.532 0.822 20 0 GCADLP CN(C(=O)C(=O)NCc1cc[nH]n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550203288 1195460309 /nfs/dbraw/zinc/46/03/09/1195460309.db2.gz AJKCVCSTHBYFKV-ZWKOTPCHSA-N 2 2 390.532 0.822 20 0 GCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000550208560 1195460830 /nfs/dbraw/zinc/46/08/30/1195460830.db2.gz FNHHTCOIUXDUQK-IXDOHACOSA-N 2 2 380.533 0.687 20 0 GCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)C1 ZINC000550238230 1195466567 /nfs/dbraw/zinc/46/65/67/1195466567.db2.gz YEFYKUMQEXEEKO-OAQYLSRUSA-N 2 2 393.576 0.463 20 0 GCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)C1 ZINC000550238230 1195466570 /nfs/dbraw/zinc/46/65/70/1195466570.db2.gz YEFYKUMQEXEEKO-OAQYLSRUSA-N 2 2 393.576 0.463 20 0 GCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)C1 ZINC000550238230 1195466571 /nfs/dbraw/zinc/46/65/71/1195466571.db2.gz YEFYKUMQEXEEKO-OAQYLSRUSA-N 2 2 393.576 0.463 20 0 GCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)C1 ZINC000550238230 1195466573 /nfs/dbraw/zinc/46/65/73/1195466573.db2.gz YEFYKUMQEXEEKO-OAQYLSRUSA-N 2 2 393.576 0.463 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000519700565 1195563874 /nfs/dbraw/zinc/56/38/74/1195563874.db2.gz AQBKKOIICFMZMH-BZSNNMDCSA-N 2 2 382.549 0.791 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000519700565 1195563876 /nfs/dbraw/zinc/56/38/76/1195563876.db2.gz AQBKKOIICFMZMH-BZSNNMDCSA-N 2 2 382.549 0.791 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000519700566 1195563966 /nfs/dbraw/zinc/56/39/66/1195563966.db2.gz AQBKKOIICFMZMH-FGTMMUONSA-N 2 2 382.549 0.791 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000519700566 1195563968 /nfs/dbraw/zinc/56/39/68/1195563968.db2.gz AQBKKOIICFMZMH-FGTMMUONSA-N 2 2 382.549 0.791 20 0 GCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)cn1 ZINC000519821022 1195575994 /nfs/dbraw/zinc/57/59/94/1195575994.db2.gz QUSJHJMCZNYPRM-BZSNNMDCSA-N 2 2 388.516 0.040 20 0 GCADLP Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)cn1 ZINC000519821022 1195575998 /nfs/dbraw/zinc/57/59/98/1195575998.db2.gz QUSJHJMCZNYPRM-BZSNNMDCSA-N 2 2 388.516 0.040 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000415860765 1195581535 /nfs/dbraw/zinc/58/15/35/1195581535.db2.gz VJEUEEGQMZTSPD-SFHVURJKSA-N 2 2 396.495 0.845 20 0 GCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000441090988 1195602542 /nfs/dbraw/zinc/60/25/42/1195602542.db2.gz UNLVRMIOSIDNAG-HZPDHXFCSA-N 2 2 392.504 0.095 20 0 GCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000441090988 1195602546 /nfs/dbraw/zinc/60/25/46/1195602546.db2.gz UNLVRMIOSIDNAG-HZPDHXFCSA-N 2 2 392.504 0.095 20 0 GCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000441090991 1195602587 /nfs/dbraw/zinc/60/25/87/1195602587.db2.gz UNLVRMIOSIDNAG-JKSUJKDBSA-N 2 2 392.504 0.095 20 0 GCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000441090991 1195602591 /nfs/dbraw/zinc/60/25/91/1195602591.db2.gz UNLVRMIOSIDNAG-JKSUJKDBSA-N 2 2 392.504 0.095 20 0 GCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000441240071 1195613644 /nfs/dbraw/zinc/61/36/44/1195613644.db2.gz AFAQJLVWXXDJKS-KURKYZTESA-N 2 2 382.549 0.397 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000550343964 1195638684 /nfs/dbraw/zinc/63/86/84/1195638684.db2.gz ZVHFRHYCOVGQIU-IRXDYDNUSA-N 2 2 391.516 0.285 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000550343964 1195638687 /nfs/dbraw/zinc/63/86/87/1195638687.db2.gz ZVHFRHYCOVGQIU-IRXDYDNUSA-N 2 2 391.516 0.285 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000550355736 1195642568 /nfs/dbraw/zinc/64/25/68/1195642568.db2.gz GYZJEQZDQKCCOB-GOSISDBHSA-N 2 2 393.532 0.903 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000550380841 1195648968 /nfs/dbraw/zinc/64/89/68/1195648968.db2.gz BCISTMWMUYWCLI-OALUTQOASA-N 2 2 395.592 0.611 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000550383888 1195651372 /nfs/dbraw/zinc/65/13/72/1195651372.db2.gz WSDJNWRSBCXKGQ-FUHWJXTLSA-N 2 2 379.549 0.141 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000550383888 1195651373 /nfs/dbraw/zinc/65/13/73/1195651373.db2.gz WSDJNWRSBCXKGQ-FUHWJXTLSA-N 2 2 379.549 0.141 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000550383624 1195651509 /nfs/dbraw/zinc/65/15/09/1195651509.db2.gz OHULIJYMTFQVNK-SFHVURJKSA-N 2 2 381.565 0.223 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000550383887 1195651530 /nfs/dbraw/zinc/65/15/30/1195651530.db2.gz WSDJNWRSBCXKGQ-AEFFLSMTSA-N 2 2 379.549 0.141 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000550383887 1195651533 /nfs/dbraw/zinc/65/15/33/1195651533.db2.gz WSDJNWRSBCXKGQ-AEFFLSMTSA-N 2 2 379.549 0.141 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@@H]2CCCOCC2)CC3)CC1 ZINC000328841641 1195670348 /nfs/dbraw/zinc/67/03/48/1195670348.db2.gz OTTZMIVGUBCLBT-IAGOWNOFSA-N 2 2 375.517 0.992 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)CC1 ZINC000427570394 1195731849 /nfs/dbraw/zinc/73/18/49/1195731849.db2.gz FUJDZFGFKNTQID-CQSZACIVSA-N 2 2 385.472 1.218 20 0 GCADLP C[NH2+]CCNC(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000417465783 1195749550 /nfs/dbraw/zinc/74/95/50/1195749550.db2.gz IPPJROKDKJPKCI-UHFFFAOYSA-N 2 2 391.516 0.291 20 0 GCADLP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000074654622 1195749990 /nfs/dbraw/zinc/74/99/90/1195749990.db2.gz HNJAWDPJTXIOQL-RBUKOAKNSA-N 2 2 381.565 0.624 20 0 GCADLP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000074654626 1195750074 /nfs/dbraw/zinc/75/00/74/1195750074.db2.gz HNJAWDPJTXIOQL-OALUTQOASA-N 2 2 381.565 0.624 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189933079 1195754800 /nfs/dbraw/zinc/75/48/00/1195754800.db2.gz NYQUZNWOYSSLOF-ROUUACIJSA-N 2 2 389.544 0.896 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189933079 1195754803 /nfs/dbraw/zinc/75/48/03/1195754803.db2.gz NYQUZNWOYSSLOF-ROUUACIJSA-N 2 2 389.544 0.896 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189933060 1195754870 /nfs/dbraw/zinc/75/48/70/1195754870.db2.gz NYQUZNWOYSSLOF-MSOLQXFVSA-N 2 2 389.544 0.896 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189933060 1195754872 /nfs/dbraw/zinc/75/48/72/1195754872.db2.gz NYQUZNWOYSSLOF-MSOLQXFVSA-N 2 2 389.544 0.896 20 0 GCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647986070 1195756689 /nfs/dbraw/zinc/75/66/89/1195756689.db2.gz AGRCEVJAFZYWOJ-CQSZACIVSA-N 2 2 396.513 0.268 20 0 GCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647986070 1195756693 /nfs/dbraw/zinc/75/66/93/1195756693.db2.gz AGRCEVJAFZYWOJ-CQSZACIVSA-N 2 2 396.513 0.268 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)CO1 ZINC000665127613 1195799244 /nfs/dbraw/zinc/79/92/44/1195799244.db2.gz IRWDWRDMMAPGCZ-QZTJIDSGSA-N 2 2 397.564 0.191 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)CO1 ZINC000665127613 1195799246 /nfs/dbraw/zinc/79/92/46/1195799246.db2.gz IRWDWRDMMAPGCZ-QZTJIDSGSA-N 2 2 397.564 0.191 20 0 GCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000186141043 1195859358 /nfs/dbraw/zinc/85/93/58/1195859358.db2.gz JUIZSQVUXICCNV-MOPGFXCFSA-N 2 2 381.565 0.766 20 0 GCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000186141043 1195859361 /nfs/dbraw/zinc/85/93/61/1195859361.db2.gz JUIZSQVUXICCNV-MOPGFXCFSA-N 2 2 381.565 0.766 20 0 GCADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508207142 1195906129 /nfs/dbraw/zinc/90/61/29/1195906129.db2.gz SHIJWOAFJJAGOU-GOSISDBHSA-N 2 2 380.533 0.502 20 0 GCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000520793932 1195908944 /nfs/dbraw/zinc/90/89/44/1195908944.db2.gz SZZYLELDQZPETG-WBVHZDCISA-N 2 2 383.514 0.564 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000520847773 1195927969 /nfs/dbraw/zinc/92/79/69/1195927969.db2.gz RSRIIQQSJFYTOP-BRWVUGGUSA-N 2 2 382.549 0.981 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000520847773 1195927971 /nfs/dbraw/zinc/92/79/71/1195927971.db2.gz RSRIIQQSJFYTOP-BRWVUGGUSA-N 2 2 382.549 0.981 20 0 GCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000442292405 1195972867 /nfs/dbraw/zinc/97/28/67/1195972867.db2.gz MMLUEZKQAQKLCH-IRXDYDNUSA-N 2 2 387.528 0.924 20 0 GCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000442292405 1195972869 /nfs/dbraw/zinc/97/28/69/1195972869.db2.gz MMLUEZKQAQKLCH-IRXDYDNUSA-N 2 2 387.528 0.924 20 0 GCADLP CC(C)(C)OC(=O)N1CC(O)(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000895208057 1196054285 /nfs/dbraw/zinc/05/42/85/1196054285.db2.gz PFFHTSUTRNSATQ-UHFFFAOYSA-N 2 2 398.548 0.354 20 0 GCADLP CC(C)(C)OC(=O)N1CC(O)(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000895208057 1196054287 /nfs/dbraw/zinc/05/42/87/1196054287.db2.gz PFFHTSUTRNSATQ-UHFFFAOYSA-N 2 2 398.548 0.354 20 0 GCADLP CN(C(=O)[C@H]1CCCC(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328807799 1196061372 /nfs/dbraw/zinc/06/13/72/1196061372.db2.gz NVORXQIMKYMFRI-MRXNPFEDSA-N 2 2 379.505 0.192 20 0 GCADLP O=C(CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000522289083 1196072979 /nfs/dbraw/zinc/07/29/79/1196072979.db2.gz NNDUWZHALFSHDV-INIZCTEOSA-N 2 2 386.500 0.656 20 0 GCADLP O=C(CCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000522289083 1196072981 /nfs/dbraw/zinc/07/29/81/1196072981.db2.gz NNDUWZHALFSHDV-INIZCTEOSA-N 2 2 386.500 0.656 20 0 GCADLP O=C(CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000522289084 1196073077 /nfs/dbraw/zinc/07/30/77/1196073077.db2.gz NNDUWZHALFSHDV-MRXNPFEDSA-N 2 2 386.500 0.656 20 0 GCADLP O=C(CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000522289084 1196073079 /nfs/dbraw/zinc/07/30/79/1196073079.db2.gz NNDUWZHALFSHDV-MRXNPFEDSA-N 2 2 386.500 0.656 20 0 GCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001112168002 1196081600 /nfs/dbraw/zinc/08/16/00/1196081600.db2.gz QFJCGDUZLNZNAU-FDYHWXHSSA-N 2 2 387.406 0.591 20 0 GCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550573883 1196090609 /nfs/dbraw/zinc/09/06/09/1196090609.db2.gz AKAOZGCCPHJQER-CALCHBBNSA-N 2 2 382.549 0.839 20 0 GCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550573883 1196090617 /nfs/dbraw/zinc/09/06/17/1196090617.db2.gz AKAOZGCCPHJQER-CALCHBBNSA-N 2 2 382.549 0.839 20 0 GCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550573884 1196090636 /nfs/dbraw/zinc/09/06/36/1196090636.db2.gz AKAOZGCCPHJQER-IAGOWNOFSA-N 2 2 382.549 0.839 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000550582046 1196093832 /nfs/dbraw/zinc/09/38/32/1196093832.db2.gz LMUOKQVKNAAEIR-ZJIFWQFVSA-N 2 2 380.533 0.732 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@H+]1C1CC1 ZINC000550582046 1196093833 /nfs/dbraw/zinc/09/38/33/1196093833.db2.gz LMUOKQVKNAAEIR-ZJIFWQFVSA-N 2 2 380.533 0.732 20 0 GCADLP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000895753277 1196110938 /nfs/dbraw/zinc/11/09/38/1196110938.db2.gz PPNSGAJYCJLKDP-KRWDZBQOSA-N 2 2 396.532 0.766 20 0 GCADLP CN1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[N@H+](C)CC1 ZINC000895841133 1196113967 /nfs/dbraw/zinc/11/39/67/1196113967.db2.gz DNBNPDRNLZYYSN-QZTJIDSGSA-N 2 2 379.549 0.519 20 0 GCADLP CN1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[N@@H+](C)CC1 ZINC000895841133 1196113968 /nfs/dbraw/zinc/11/39/68/1196113968.db2.gz DNBNPDRNLZYYSN-QZTJIDSGSA-N 2 2 379.549 0.519 20 0 GCADLP CNC(=O)C1([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCOCC1 ZINC000895884480 1196116475 /nfs/dbraw/zinc/11/64/75/1196116475.db2.gz JGCAYJHUKGPDOU-UHFFFAOYSA-N 2 2 377.485 0.782 20 0 GCADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC2)CC1 ZINC000896230640 1196136215 /nfs/dbraw/zinc/13/62/15/1196136215.db2.gz QOIJWTUKXRGKAV-UHFFFAOYSA-N 2 2 383.456 0.393 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC[NH+]3CCC(O)CC3)C2)cc1 ZINC000896229793 1196136296 /nfs/dbraw/zinc/13/62/96/1196136296.db2.gz FQIVVBRATMKMQQ-HXUWFJFHSA-N 2 2 390.528 0.952 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCC[NH+]3CCC(O)CC3)C2)cc1 ZINC000896229793 1196136300 /nfs/dbraw/zinc/13/63/00/1196136300.db2.gz FQIVVBRATMKMQQ-HXUWFJFHSA-N 2 2 390.528 0.952 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(=O)n(C)[nH]4)CC[C@@H]3C2)CC[NH+]1C ZINC001087972256 1196142418 /nfs/dbraw/zinc/14/24/18/1196142418.db2.gz SXPBAOCJBASMTK-FXUDXRNXSA-N 2 2 376.505 0.119 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nc(=O)n(C)[nH]4)CC[C@@H]3C2)CC[NH+]1C ZINC001087972256 1196142420 /nfs/dbraw/zinc/14/24/20/1196142420.db2.gz SXPBAOCJBASMTK-FXUDXRNXSA-N 2 2 376.505 0.119 20 0 GCADLP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896533266 1196154631 /nfs/dbraw/zinc/15/46/31/1196154631.db2.gz HASWWWDCXSWLFA-XHSDSOJGSA-N 2 2 385.553 0.582 20 0 GCADLP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896533266 1196154634 /nfs/dbraw/zinc/15/46/34/1196154634.db2.gz HASWWWDCXSWLFA-XHSDSOJGSA-N 2 2 385.553 0.582 20 0 GCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329135505 1196167247 /nfs/dbraw/zinc/16/72/47/1196167247.db2.gz GJTDAXBTPYVNAY-IBGZPJMESA-N 3 2 393.576 0.558 20 0 GCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329135505 1196167249 /nfs/dbraw/zinc/16/72/49/1196167249.db2.gz GJTDAXBTPYVNAY-IBGZPJMESA-N 3 2 393.576 0.558 20 0 GCADLP CN(C(=O)Cc1cccc(O)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329312447 1196184943 /nfs/dbraw/zinc/18/49/43/1196184943.db2.gz GNDYIXQUKPJXDL-UHFFFAOYSA-N 2 2 388.512 0.632 20 0 GCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329474407 1196199306 /nfs/dbraw/zinc/19/93/06/1196199306.db2.gz NNVDVLAHHPCTIM-KZNAEPCWSA-N 2 2 378.517 0.252 20 0 GCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329474405 1196199581 /nfs/dbraw/zinc/19/95/81/1196199581.db2.gz NNVDVLAHHPCTIM-FGTMMUONSA-N 2 2 378.517 0.252 20 0 GCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)cc2)CC1 ZINC000896740788 1196202168 /nfs/dbraw/zinc/20/21/68/1196202168.db2.gz IHBSIAXOWMQOIY-IBGZPJMESA-N 2 2 388.512 0.972 20 0 GCADLP CN1CC[NH+](CCOc2ccc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)cc2)CC1 ZINC000896740788 1196202171 /nfs/dbraw/zinc/20/21/71/1196202171.db2.gz IHBSIAXOWMQOIY-IBGZPJMESA-N 2 2 388.512 0.972 20 0 GCADLP CCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011156 1196216645 /nfs/dbraw/zinc/21/66/45/1196216645.db2.gz ARRPNSBTRRKBTJ-LVQVYYBASA-N 2 2 377.489 0.631 20 0 GCADLP CCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011156 1196216648 /nfs/dbraw/zinc/21/66/48/1196216648.db2.gz ARRPNSBTRRKBTJ-LVQVYYBASA-N 2 2 377.489 0.631 20 0 GCADLP CCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011156 1196216651 /nfs/dbraw/zinc/21/66/51/1196216651.db2.gz ARRPNSBTRRKBTJ-LVQVYYBASA-N 2 2 377.489 0.631 20 0 GCADLP CCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011156 1196216654 /nfs/dbraw/zinc/21/66/54/1196216654.db2.gz ARRPNSBTRRKBTJ-LVQVYYBASA-N 2 2 377.489 0.631 20 0 GCADLP CN(C(=O)[C@@H]1CCCCC(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329878834 1196235796 /nfs/dbraw/zinc/23/57/96/1196235796.db2.gz LJYKZADNVRLCCJ-KRWDZBQOSA-N 2 2 393.532 0.582 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000330230196 1196260710 /nfs/dbraw/zinc/26/07/10/1196260710.db2.gz WJJJIBPHJFNVRS-FGTMMUONSA-N 2 2 378.517 0.110 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000330230196 1196260714 /nfs/dbraw/zinc/26/07/14/1196260714.db2.gz WJJJIBPHJFNVRS-FGTMMUONSA-N 2 2 378.517 0.110 20 0 GCADLP C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330243772 1196260974 /nfs/dbraw/zinc/26/09/74/1196260974.db2.gz JWIBZPCJSYLPTE-SFHVURJKSA-N 2 2 379.549 0.169 20 0 GCADLP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330243771 1196261052 /nfs/dbraw/zinc/26/10/52/1196261052.db2.gz JWIBZPCJSYLPTE-GOSISDBHSA-N 2 2 379.549 0.169 20 0 GCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330336274 1196290615 /nfs/dbraw/zinc/29/06/15/1196290615.db2.gz ZKIPVDXWUBMKIQ-HNNXBMFYSA-N 2 2 378.502 0.981 20 0 GCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000281347347 1196290939 /nfs/dbraw/zinc/29/09/39/1196290939.db2.gz DLKSWCKSJGENQL-UHFFFAOYSA-N 2 2 392.504 0.098 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000985056377 1196337071 /nfs/dbraw/zinc/33/70/71/1196337071.db2.gz LPGKIMUMNNUHHM-YYIAUSFCSA-N 2 2 377.489 0.488 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000985056377 1196337075 /nfs/dbraw/zinc/33/70/75/1196337075.db2.gz LPGKIMUMNNUHHM-YYIAUSFCSA-N 2 2 377.489 0.488 20 0 GCADLP COCC[NH+]1CCN(c2ncc(C)c(N3CC[NH+](CCOC)CC3)n2)CC1 ZINC000444118115 1196346456 /nfs/dbraw/zinc/34/64/56/1196346456.db2.gz VPQCHQFZENPEGE-UHFFFAOYSA-N 2 2 378.521 0.322 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088112341 1196364244 /nfs/dbraw/zinc/36/42/44/1196364244.db2.gz ZRQHMEQQBYQMAU-XMTFNYHQSA-N 2 2 385.512 0.926 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088112341 1196364250 /nfs/dbraw/zinc/36/42/50/1196364250.db2.gz ZRQHMEQQBYQMAU-XMTFNYHQSA-N 2 2 385.512 0.926 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043167173 1196381118 /nfs/dbraw/zinc/38/11/18/1196381118.db2.gz ZOFRMSYFVHEYRN-MRXNPFEDSA-N 2 2 377.489 0.880 20 0 GCADLP CC(C)C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(=O)NCC[NH+](C)C ZINC000897240567 1196408939 /nfs/dbraw/zinc/40/89/39/1196408939.db2.gz LLAODXSXYXZYQA-DOTOQJQBSA-N 2 2 378.521 0.999 20 0 GCADLP CC(C)C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)NCC[NH+](C)C ZINC000897240567 1196408943 /nfs/dbraw/zinc/40/89/43/1196408943.db2.gz LLAODXSXYXZYQA-DOTOQJQBSA-N 2 2 378.521 0.999 20 0 GCADLP CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000182675233 1196411269 /nfs/dbraw/zinc/41/12/69/1196411269.db2.gz AXHCFPFMWWGUKW-DLBZAZTESA-N 2 2 378.521 0.377 20 0 GCADLP CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182675233 1196411271 /nfs/dbraw/zinc/41/12/71/1196411271.db2.gz AXHCFPFMWWGUKW-DLBZAZTESA-N 2 2 378.521 0.377 20 0 GCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)n[nH]1 ZINC000897295425 1196450317 /nfs/dbraw/zinc/45/03/17/1196450317.db2.gz VEHQDAXQWKCAJT-KRWDZBQOSA-N 2 2 377.489 0.476 20 0 GCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)n[nH]1 ZINC000897295425 1196450320 /nfs/dbraw/zinc/45/03/20/1196450320.db2.gz VEHQDAXQWKCAJT-KRWDZBQOSA-N 2 2 377.489 0.476 20 0 GCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866930007 1196472421 /nfs/dbraw/zinc/47/24/21/1196472421.db2.gz DGSRGBSUNLHQKK-AIADIJKESA-N 2 2 388.512 0.280 20 0 GCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000115804741 1196496794 /nfs/dbraw/zinc/49/67/94/1196496794.db2.gz FXBDFBHEOBLADJ-KRWDZBQOSA-N 2 2 375.521 0.582 20 0 GCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000115804741 1196496797 /nfs/dbraw/zinc/49/67/97/1196496797.db2.gz FXBDFBHEOBLADJ-KRWDZBQOSA-N 2 2 375.521 0.582 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446371017 1196638569 /nfs/dbraw/zinc/63/85/69/1196638569.db2.gz NXUKFKRAQNQTTH-IDHHARJASA-N 2 2 377.489 0.686 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446371911 1196640508 /nfs/dbraw/zinc/64/05/08/1196640508.db2.gz HHJLRQUUVQGPEX-MDZRGWNJSA-N 2 2 377.489 0.686 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446371908 1196640526 /nfs/dbraw/zinc/64/05/26/1196640526.db2.gz HHJLRQUUVQGPEX-FCEWJHQRSA-N 2 2 377.489 0.686 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000446779517 1196671422 /nfs/dbraw/zinc/67/14/22/1196671422.db2.gz ZDZALUDKHMQEIZ-UHFFFAOYSA-N 2 2 381.440 0.885 20 0 GCADLP Cn1nccc1N1CCC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000447077584 1196690872 /nfs/dbraw/zinc/69/08/72/1196690872.db2.gz QPHNIFACOJSTOW-LJQANCHMSA-N 2 2 376.549 0.775 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@]4(CNC(=O)C4)C3)CC2)CC1 ZINC000525809363 1196712313 /nfs/dbraw/zinc/71/23/13/1196712313.db2.gz IRSWCXAFKUKPTH-FQEVSTJZSA-N 2 2 377.533 0.857 20 0 GCADLP Cc1cc(N2CCN(C(=O)C[NH2+][C@H](CO)[C@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000447907684 1196756088 /nfs/dbraw/zinc/75/60/88/1196756088.db2.gz ALGUWRASAFCATE-IAGOWNOFSA-N 2 2 391.516 0.687 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000527660004 1196803338 /nfs/dbraw/zinc/80/33/38/1196803338.db2.gz HLULVKFWFROLFH-UHFFFAOYSA-N 2 2 381.521 0.093 20 0 GCADLP COC(=O)Cn1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC000449074900 1196852392 /nfs/dbraw/zinc/85/23/92/1196852392.db2.gz LQHQKVYAEXFRKE-LJQANCHMSA-N 2 2 386.500 0.920 20 0 GCADLP COC(=O)Cn1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC000449074900 1196852396 /nfs/dbraw/zinc/85/23/96/1196852396.db2.gz LQHQKVYAEXFRKE-LJQANCHMSA-N 2 2 386.500 0.920 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3(C[NH3+])CCOCC3)ccn2)CC1 ZINC000528684182 1196878148 /nfs/dbraw/zinc/87/81/48/1196878148.db2.gz CBQSUSZGKDSDQO-UHFFFAOYSA-N 2 2 376.461 0.099 20 0 GCADLP C[C@]1(CO)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@]1(C)CO ZINC000528748813 1196885800 /nfs/dbraw/zinc/88/58/00/1196885800.db2.gz RJLWRHZGLGVBHS-BGYRXZFFSA-N 2 2 376.501 0.433 20 0 GCADLP C[C@]1(CO)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@]1(C)CO ZINC000528748813 1196885804 /nfs/dbraw/zinc/88/58/04/1196885804.db2.gz RJLWRHZGLGVBHS-BGYRXZFFSA-N 2 2 376.501 0.433 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000153941204 1196902988 /nfs/dbraw/zinc/90/29/88/1196902988.db2.gz SACAAZNWHDVOHV-FHWLQOOXSA-N 2 2 393.576 0.556 20 0 GCADLP CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1(C)C ZINC000451483546 1196995057 /nfs/dbraw/zinc/99/50/57/1196995057.db2.gz AXXGSKPXUHXHFU-HUUCEWRRSA-N 2 2 387.488 0.415 20 0 GCADLP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[NH+](CCn2cncn2)CC1 ZINC000530914683 1197027898 /nfs/dbraw/zinc/02/78/98/1197027898.db2.gz JJAAQWPSJOHJEC-UHFFFAOYSA-N 2 2 376.505 0.457 20 0 GCADLP CNS(=O)(=O)c1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)o1 ZINC000530959735 1197031083 /nfs/dbraw/zinc/03/10/83/1197031083.db2.gz HYULGAKPFSSQQW-UHFFFAOYSA-N 2 2 393.469 0.895 20 0 GCADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452345064 1197052727 /nfs/dbraw/zinc/05/27/27/1197052727.db2.gz PUZGTVSUVUGVQY-OALUTQOASA-N 2 2 394.560 0.794 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000376638382 1197080969 /nfs/dbraw/zinc/08/09/69/1197080969.db2.gz BDKSGVGVFXPBDL-XYJFISCASA-N 2 2 386.562 0.291 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000376638382 1197080971 /nfs/dbraw/zinc/08/09/71/1197080971.db2.gz BDKSGVGVFXPBDL-XYJFISCASA-N 2 2 386.562 0.291 20 0 GCADLP C[C@H](Cc1cnccn1)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000453061571 1197095687 /nfs/dbraw/zinc/09/56/87/1197095687.db2.gz DARSBSPJFFMAFD-MRXNPFEDSA-N 2 2 390.513 0.544 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000532008685 1197106574 /nfs/dbraw/zinc/10/65/74/1197106574.db2.gz FBNUFAVDWNGXIZ-UHFFFAOYSA-N 2 2 388.509 0.734 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000532027692 1197107099 /nfs/dbraw/zinc/10/70/99/1197107099.db2.gz GFTNFBJKGCCESW-OTWHNJEPSA-N 2 2 398.548 0.089 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)c2)CC1 ZINC000453921646 1197178321 /nfs/dbraw/zinc/17/83/21/1197178321.db2.gz GNGNCFMWDCVJNF-MJGOQNOKSA-N 2 2 385.512 0.535 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)c2)CC1 ZINC000453921646 1197178323 /nfs/dbraw/zinc/17/83/23/1197178323.db2.gz GNGNCFMWDCVJNF-MJGOQNOKSA-N 2 2 385.512 0.535 20 0 GCADLP CNC(=O)CC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000175036107 1197183302 /nfs/dbraw/zinc/18/33/02/1197183302.db2.gz LYJWKUJEBXLHJF-UHFFFAOYSA-N 2 2 394.560 0.986 20 0 GCADLP CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001719910027 1197199752 /nfs/dbraw/zinc/19/97/52/1197199752.db2.gz QAYVGFBXBUKENR-UNEWFSDZSA-N 2 2 377.489 0.940 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn(CC4(C)COC4)nn3)CC2)CC1 ZINC000184568895 1197211586 /nfs/dbraw/zinc/21/15/86/1197211586.db2.gz WQUAQEPOVMQBBE-UHFFFAOYSA-N 2 2 376.505 0.603 20 0 GCADLP CN1CC[NH+](CC2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)CC1 ZINC000192165739 1197245855 /nfs/dbraw/zinc/24/58/55/1197245855.db2.gz CQSOTCMJELHHFC-UHFFFAOYSA-N 2 2 381.565 0.766 20 0 GCADLP CN1CC[NH+](CC2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)CC1 ZINC000192165739 1197245859 /nfs/dbraw/zinc/24/58/59/1197245859.db2.gz CQSOTCMJELHHFC-UHFFFAOYSA-N 2 2 381.565 0.766 20 0 GCADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](C)C1 ZINC000192826015 1197248781 /nfs/dbraw/zinc/24/87/81/1197248781.db2.gz CGVLVDILXDMDGF-RTBURBONSA-N 2 2 396.576 0.525 20 0 GCADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](C)C1 ZINC000192826015 1197248784 /nfs/dbraw/zinc/24/87/84/1197248784.db2.gz CGVLVDILXDMDGF-RTBURBONSA-N 2 2 396.576 0.525 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[N@H+](C)C(C)(C)C3)ccn2)CC1 ZINC000897425237 1197249912 /nfs/dbraw/zinc/24/99/12/1197249912.db2.gz ZHBNRSQLYZKLLX-UHFFFAOYSA-N 2 2 388.516 0.002 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[N@@H+](C)C(C)(C)C3)ccn2)CC1 ZINC000897425237 1197249917 /nfs/dbraw/zinc/24/99/17/1197249917.db2.gz ZHBNRSQLYZKLLX-UHFFFAOYSA-N 2 2 388.516 0.002 20 0 GCADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666240644 1197250518 /nfs/dbraw/zinc/25/05/18/1197250518.db2.gz LUYZCDOBGSFKJR-INIZCTEOSA-N 2 2 375.473 0.786 20 0 GCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000729605859 1197261630 /nfs/dbraw/zinc/26/16/30/1197261630.db2.gz MNJCJMVCEWWBAR-OTWHNJEPSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000729605859 1197261632 /nfs/dbraw/zinc/26/16/32/1197261632.db2.gz MNJCJMVCEWWBAR-OTWHNJEPSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000729605859 1197261636 /nfs/dbraw/zinc/26/16/36/1197261636.db2.gz MNJCJMVCEWWBAR-OTWHNJEPSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000729605859 1197261638 /nfs/dbraw/zinc/26/16/38/1197261638.db2.gz MNJCJMVCEWWBAR-OTWHNJEPSA-N 2 2 381.565 0.907 20 0 GCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC3CC[NH+](CCN(C)C)CC3)C2)CC1 ZINC000106526730 1197327021 /nfs/dbraw/zinc/32/70/21/1197327021.db2.gz PMPUAPDJWKJLRC-LJQANCHMSA-N 2 2 380.581 0.434 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106538240 1197327037 /nfs/dbraw/zinc/32/70/37/1197327037.db2.gz VEGZOCBHIBDUQF-QGZVFWFLSA-N 2 2 387.532 0.915 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106538240 1197327040 /nfs/dbraw/zinc/32/70/40/1197327040.db2.gz VEGZOCBHIBDUQF-QGZVFWFLSA-N 2 2 387.532 0.915 20 0 GCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000106525428 1197327319 /nfs/dbraw/zinc/32/73/19/1197327319.db2.gz LIFDTFRVQWNHJC-WOJBJXKFSA-N 2 2 394.608 0.680 20 0 GCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000107372273 1197327989 /nfs/dbraw/zinc/32/79/89/1197327989.db2.gz QOJFPBPLVAZJDO-ZWKOTPCHSA-N 2 2 380.533 0.500 20 0 GCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000107372273 1197327994 /nfs/dbraw/zinc/32/79/94/1197327994.db2.gz QOJFPBPLVAZJDO-ZWKOTPCHSA-N 2 2 380.533 0.500 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNC(=O)OCC(F)(F)F)CC2)CC1 ZINC000110674634 1197331670 /nfs/dbraw/zinc/33/16/70/1197331670.db2.gz NUHIWACWHBAKNX-UHFFFAOYSA-N 2 2 380.411 0.950 20 0 GCADLP CC[N@H+](CCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(C)C ZINC000532610064 1197340001 /nfs/dbraw/zinc/34/00/01/1197340001.db2.gz BHKBLHKBVZBCJZ-UHFFFAOYSA-N 2 2 380.493 0.000 20 0 GCADLP CC[N@@H+](CCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(C)C ZINC000532610064 1197340004 /nfs/dbraw/zinc/34/00/04/1197340004.db2.gz BHKBLHKBVZBCJZ-UHFFFAOYSA-N 2 2 380.493 0.000 20 0 GCADLP CN(C)S(=O)(=O)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)co1 ZINC000125191859 1197355224 /nfs/dbraw/zinc/35/52/24/1197355224.db2.gz MROCSVDUSSQIIJ-UHFFFAOYSA-N 2 2 398.529 0.818 20 0 GCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418826518 1197356872 /nfs/dbraw/zinc/35/68/72/1197356872.db2.gz GAXBGZPUEITCNS-HKUYNNGSSA-N 2 2 388.512 0.510 20 0 GCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418826518 1197356873 /nfs/dbraw/zinc/35/68/73/1197356873.db2.gz GAXBGZPUEITCNS-HKUYNNGSSA-N 2 2 388.512 0.510 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666670353 1197362691 /nfs/dbraw/zinc/36/26/91/1197362691.db2.gz KRWYAJJPPYYLPU-UHFFFAOYSA-N 2 2 389.500 0.487 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666670353 1197362697 /nfs/dbraw/zinc/36/26/97/1197362697.db2.gz KRWYAJJPPYYLPU-UHFFFAOYSA-N 2 2 389.500 0.487 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000129829325 1197369188 /nfs/dbraw/zinc/36/91/88/1197369188.db2.gz CMUXRPBQIJHKMK-SJORKVTESA-N 2 2 399.561 0.942 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000129829325 1197369192 /nfs/dbraw/zinc/36/91/92/1197369192.db2.gz CMUXRPBQIJHKMK-SJORKVTESA-N 2 2 399.561 0.942 20 0 GCADLP CCNC(=O)N1CC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000132202768 1197380040 /nfs/dbraw/zinc/38/00/40/1197380040.db2.gz RRAYKAIVGMHUCS-INIZCTEOSA-N 2 2 380.537 0.648 20 0 GCADLP CC(=O)NC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000050989677 1197381633 /nfs/dbraw/zinc/38/16/33/1197381633.db2.gz QMWSHVQNWBNWHD-UHFFFAOYSA-N 2 2 380.533 0.738 20 0 GCADLP CN(C(=O)NCc1nc(C(N)=O)cs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000666717959 1197390014 /nfs/dbraw/zinc/39/00/14/1197390014.db2.gz QBNJMBVFMVNMDA-CYBMUJFWSA-N 2 2 380.518 0.552 20 0 GCADLP CN(C(=O)NCc1nc(C(N)=O)cs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000666717959 1197390016 /nfs/dbraw/zinc/39/00/16/1197390016.db2.gz QBNJMBVFMVNMDA-CYBMUJFWSA-N 2 2 380.518 0.552 20 0 GCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418943096 1197405077 /nfs/dbraw/zinc/40/50/77/1197405077.db2.gz MBOKFXNNVYKQGQ-UHFFFAOYSA-N 2 2 376.526 0.825 20 0 GCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418943096 1197405078 /nfs/dbraw/zinc/40/50/78/1197405078.db2.gz MBOKFXNNVYKQGQ-UHFFFAOYSA-N 2 2 376.526 0.825 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000245592026 1197413903 /nfs/dbraw/zinc/41/39/03/1197413903.db2.gz BEXNRWKZLDJMJX-MSOLQXFVSA-N 2 2 387.532 0.867 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000245592026 1197413906 /nfs/dbraw/zinc/41/39/06/1197413906.db2.gz BEXNRWKZLDJMJX-MSOLQXFVSA-N 2 2 387.532 0.867 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000069469252 1197468559 /nfs/dbraw/zinc/46/85/59/1197468559.db2.gz QEFDEGZNBXESFJ-QGZVFWFLSA-N 2 2 386.562 0.765 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000069859302 1197468794 /nfs/dbraw/zinc/46/87/94/1197468794.db2.gz IUIGXCNSSUHEOU-UXHICEINSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000069859302 1197468800 /nfs/dbraw/zinc/46/88/00/1197468800.db2.gz IUIGXCNSSUHEOU-UXHICEINSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000069859302 1197468803 /nfs/dbraw/zinc/46/88/03/1197468803.db2.gz IUIGXCNSSUHEOU-UXHICEINSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000069859302 1197468805 /nfs/dbraw/zinc/46/88/05/1197468805.db2.gz IUIGXCNSSUHEOU-UXHICEINSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000069859302 1197468807 /nfs/dbraw/zinc/46/88/07/1197468807.db2.gz IUIGXCNSSUHEOU-UXHICEINSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000069859302 1197468809 /nfs/dbraw/zinc/46/88/09/1197468809.db2.gz IUIGXCNSSUHEOU-UXHICEINSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246588313 1197472573 /nfs/dbraw/zinc/47/25/73/1197472573.db2.gz IUIGXCNSSUHEOU-PMACEKPBSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246588313 1197472577 /nfs/dbraw/zinc/47/25/77/1197472577.db2.gz IUIGXCNSSUHEOU-PMACEKPBSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000246588313 1197472580 /nfs/dbraw/zinc/47/25/80/1197472580.db2.gz IUIGXCNSSUHEOU-PMACEKPBSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000246588313 1197472583 /nfs/dbraw/zinc/47/25/83/1197472583.db2.gz IUIGXCNSSUHEOU-PMACEKPBSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000246588313 1197472587 /nfs/dbraw/zinc/47/25/87/1197472587.db2.gz IUIGXCNSSUHEOU-PMACEKPBSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000246588313 1197472590 /nfs/dbraw/zinc/47/25/90/1197472590.db2.gz IUIGXCNSSUHEOU-PMACEKPBSA-N 2 2 396.576 0.504 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000246587156 1197472738 /nfs/dbraw/zinc/47/27/38/1197472738.db2.gz PDNKTELJTGCAFE-MISYRCLQSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000246587156 1197472740 /nfs/dbraw/zinc/47/27/40/1197472740.db2.gz PDNKTELJTGCAFE-MISYRCLQSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000247432214 1197476390 /nfs/dbraw/zinc/47/63/90/1197476390.db2.gz LGVRKHYTFJHAED-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000247432214 1197476394 /nfs/dbraw/zinc/47/63/94/1197476394.db2.gz LGVRKHYTFJHAED-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000248851743 1197480120 /nfs/dbraw/zinc/48/01/20/1197480120.db2.gz OVDDPORUTDFNBL-RLLQIKCJSA-N 2 2 390.528 0.841 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000248851743 1197480121 /nfs/dbraw/zinc/48/01/21/1197480121.db2.gz OVDDPORUTDFNBL-RLLQIKCJSA-N 2 2 390.528 0.841 20 0 GCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261657644 1197510342 /nfs/dbraw/zinc/51/03/42/1197510342.db2.gz AQWOKVUCYNHKRM-KRWDZBQOSA-N 2 2 383.500 0.500 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261767928 1197514042 /nfs/dbraw/zinc/51/40/42/1197514042.db2.gz GJFKVCWXCMSTNQ-KSZLIROESA-N 3 2 379.549 0.119 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261767928 1197514046 /nfs/dbraw/zinc/51/40/46/1197514046.db2.gz GJFKVCWXCMSTNQ-KSZLIROESA-N 3 2 379.549 0.119 20 0 GCADLP O=C(CC[C@@H]1CC[NH2+]C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261898470 1197517814 /nfs/dbraw/zinc/51/78/14/1197517814.db2.gz YJTZNRONNGUFJH-MRXNPFEDSA-N 2 2 395.529 0.039 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@H](N3CC[NH2+]CC3)C1)CC2 ZINC000262273590 1197528314 /nfs/dbraw/zinc/52/83/14/1197528314.db2.gz KRUTXJAKHLBJDC-SFHVURJKSA-N 2 2 388.512 0.568 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@H](N3CC[NH2+]CC3)C1)CC2 ZINC000262273590 1197528317 /nfs/dbraw/zinc/52/83/17/1197528317.db2.gz KRUTXJAKHLBJDC-SFHVURJKSA-N 2 2 388.512 0.568 20 0 GCADLP [NH3+]CCc1nc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000262404445 1197530644 /nfs/dbraw/zinc/53/06/44/1197530644.db2.gz RMNKHUSUAZNJQZ-UHFFFAOYSA-N 2 2 388.497 0.508 20 0 GCADLP CO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C12CCC2 ZINC000459782466 1197587780 /nfs/dbraw/zinc/58/77/80/1197587780.db2.gz ZAEGNWWBAUIORD-CVEARBPZSA-N 2 2 399.499 0.559 20 0 GCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)on1 ZINC001083795281 1199012185 /nfs/dbraw/zinc/01/21/85/1199012185.db2.gz RBHNFVCOJWWVNE-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)on1 ZINC001083795281 1199012195 /nfs/dbraw/zinc/01/21/95/1199012195.db2.gz RBHNFVCOJWWVNE-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)on1 ZINC001083795281 1199012200 /nfs/dbraw/zinc/01/22/00/1199012200.db2.gz RBHNFVCOJWWVNE-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)on1 ZINC001083795281 1199012208 /nfs/dbraw/zinc/01/22/08/1199012208.db2.gz RBHNFVCOJWWVNE-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672029513 1199016067 /nfs/dbraw/zinc/01/60/67/1199016067.db2.gz JUAZWGMBCNXNAR-BPQIPLTHSA-N 2 2 380.533 0.545 20 0 GCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672029513 1199016069 /nfs/dbraw/zinc/01/60/69/1199016069.db2.gz JUAZWGMBCNXNAR-BPQIPLTHSA-N 2 2 380.533 0.545 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000265731875 1199081325 /nfs/dbraw/zinc/08/13/25/1199081325.db2.gz SHHNFEUDBWDWBO-RBUKOAKNSA-N 2 2 376.501 0.907 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000265731875 1199081328 /nfs/dbraw/zinc/08/13/28/1199081328.db2.gz SHHNFEUDBWDWBO-RBUKOAKNSA-N 2 2 376.501 0.907 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000265731875 1199081335 /nfs/dbraw/zinc/08/13/35/1199081335.db2.gz SHHNFEUDBWDWBO-RBUKOAKNSA-N 2 2 376.501 0.907 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000265731875 1199081339 /nfs/dbraw/zinc/08/13/39/1199081339.db2.gz SHHNFEUDBWDWBO-RBUKOAKNSA-N 2 2 376.501 0.907 20 0 GCADLP COC(=O)COc1ccccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000921747745 1199089173 /nfs/dbraw/zinc/08/91/73/1199089173.db2.gz RXKLFTMPEHSKJL-GOSISDBHSA-N 2 2 377.485 0.735 20 0 GCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672098388 1199089442 /nfs/dbraw/zinc/08/94/42/1199089442.db2.gz SAAYQESKPLMSLX-AEFFLSMTSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672098388 1199089444 /nfs/dbraw/zinc/08/94/44/1199089444.db2.gz SAAYQESKPLMSLX-AEFFLSMTSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672098388 1199089449 /nfs/dbraw/zinc/08/94/49/1199089449.db2.gz SAAYQESKPLMSLX-AEFFLSMTSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672098388 1199089455 /nfs/dbraw/zinc/08/94/55/1199089455.db2.gz SAAYQESKPLMSLX-AEFFLSMTSA-N 3 2 381.565 0.460 20 0 GCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000465872245 1199143443 /nfs/dbraw/zinc/14/34/43/1199143443.db2.gz HZFHGWYZOCOQIM-QGZVFWFLSA-N 2 2 396.580 0.112 20 0 GCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000465872245 1199143446 /nfs/dbraw/zinc/14/34/46/1199143446.db2.gz HZFHGWYZOCOQIM-QGZVFWFLSA-N 2 2 396.580 0.112 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656360221 1199192164 /nfs/dbraw/zinc/19/21/64/1199192164.db2.gz SHDSHSLEIDPBAD-KSZLIROESA-N 2 2 378.517 0.443 20 0 GCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656360221 1199192167 /nfs/dbraw/zinc/19/21/67/1199192167.db2.gz SHDSHSLEIDPBAD-KSZLIROESA-N 2 2 378.517 0.443 20 0 GCADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672313581 1199204080 /nfs/dbraw/zinc/20/40/80/1199204080.db2.gz BIAZVWONCKJIBX-QGZVFWFLSA-N 2 2 389.500 0.808 20 0 GCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672598722 1199280483 /nfs/dbraw/zinc/28/04/83/1199280483.db2.gz DJMPXACETJYDNB-IPMKNSEASA-N 2 2 392.544 0.833 20 0 GCADLP CC(C)n1cc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672608327 1199281011 /nfs/dbraw/zinc/28/10/11/1199281011.db2.gz MBEBWICDWFUJLI-RDJZCZTQSA-N 2 2 390.532 0.926 20 0 GCADLP CC(C)n1cc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672608327 1199281017 /nfs/dbraw/zinc/28/10/17/1199281017.db2.gz MBEBWICDWFUJLI-RDJZCZTQSA-N 2 2 390.532 0.926 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@]3(C)CCCO)C2)CC1 ZINC000672637517 1199287218 /nfs/dbraw/zinc/28/72/18/1199287218.db2.gz IWQQBQCSKBVFOE-OXQOHEQNSA-N 2 2 380.533 0.425 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@]3(C)CCCO)C2)CC1 ZINC000672637517 1199287225 /nfs/dbraw/zinc/28/72/25/1199287225.db2.gz IWQQBQCSKBVFOE-OXQOHEQNSA-N 2 2 380.533 0.425 20 0 GCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638551 1199288828 /nfs/dbraw/zinc/28/88/28/1199288828.db2.gz UEGCAJHBSXXIIK-KRWDZBQOSA-N 3 2 381.565 0.461 20 0 GCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638551 1199288829 /nfs/dbraw/zinc/28/88/29/1199288829.db2.gz UEGCAJHBSXXIIK-KRWDZBQOSA-N 3 2 381.565 0.461 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)C2)CC1 ZINC000672637175 1199289552 /nfs/dbraw/zinc/28/95/52/1199289552.db2.gz AJGSAWKARFXYAT-CRAIPNDOSA-N 2 2 390.484 0.464 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)C2)CC1 ZINC000672637175 1199289560 /nfs/dbraw/zinc/28/95/60/1199289560.db2.gz AJGSAWKARFXYAT-CRAIPNDOSA-N 2 2 390.484 0.464 20 0 GCADLP CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637767 1199290989 /nfs/dbraw/zinc/29/09/89/1199290989.db2.gz AOLXNVRTNBSULJ-JENIJYKNSA-N 2 2 394.560 0.981 20 0 GCADLP CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637767 1199290994 /nfs/dbraw/zinc/29/09/94/1199290994.db2.gz AOLXNVRTNBSULJ-JENIJYKNSA-N 2 2 394.560 0.981 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639543 1199291067 /nfs/dbraw/zinc/29/10/67/1199291067.db2.gz QDZJWBRFJIVVFR-ROUUACIJSA-N 3 2 391.560 0.215 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639543 1199291073 /nfs/dbraw/zinc/29/10/73/1199291073.db2.gz QDZJWBRFJIVVFR-ROUUACIJSA-N 3 2 391.560 0.215 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccco3)C2)CC1 ZINC000672637890 1199291610 /nfs/dbraw/zinc/29/16/10/1199291610.db2.gz AGXIGRUOPKHDPA-DOTOQJQBSA-N 2 2 390.484 0.464 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccco3)C2)CC1 ZINC000672637890 1199291612 /nfs/dbraw/zinc/29/16/12/1199291612.db2.gz AGXIGRUOPKHDPA-DOTOQJQBSA-N 2 2 390.484 0.464 20 0 GCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638728 1199292959 /nfs/dbraw/zinc/29/29/59/1199292959.db2.gz IBIXHIIQXQALOQ-QGZVFWFLSA-N 3 2 381.565 0.317 20 0 GCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638728 1199292961 /nfs/dbraw/zinc/29/29/61/1199292961.db2.gz IBIXHIIQXQALOQ-QGZVFWFLSA-N 3 2 381.565 0.317 20 0 GCADLP CCC1(CC)[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1OC ZINC000672638767 1199292973 /nfs/dbraw/zinc/29/29/73/1199292973.db2.gz VPUGYZDOTSBRRH-CGTJXYLNSA-N 2 2 394.560 0.981 20 0 GCADLP CCC1(CC)[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1OC ZINC000672638767 1199292975 /nfs/dbraw/zinc/29/29/75/1199292975.db2.gz VPUGYZDOTSBRRH-CGTJXYLNSA-N 2 2 394.560 0.981 20 0 GCADLP COCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000672640462 1199293861 /nfs/dbraw/zinc/29/38/61/1199293861.db2.gz JCRARKKLIMEFAD-MRXNPFEDSA-N 2 2 380.533 0.594 20 0 GCADLP COCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000672640462 1199293863 /nfs/dbraw/zinc/29/38/63/1199293863.db2.gz JCRARKKLIMEFAD-MRXNPFEDSA-N 2 2 380.533 0.594 20 0 GCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639079 1199294006 /nfs/dbraw/zinc/29/40/06/1199294006.db2.gz YOMNUBZJBRPQFQ-SJORKVTESA-N 3 2 379.549 0.119 20 0 GCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639079 1199294008 /nfs/dbraw/zinc/29/40/08/1199294008.db2.gz YOMNUBZJBRPQFQ-SJORKVTESA-N 3 2 379.549 0.119 20 0 GCADLP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639079 1199294015 /nfs/dbraw/zinc/29/40/15/1199294015.db2.gz YOMNUBZJBRPQFQ-SJORKVTESA-N 3 2 379.549 0.119 20 0 GCADLP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639079 1199294019 /nfs/dbraw/zinc/29/40/19/1199294019.db2.gz YOMNUBZJBRPQFQ-SJORKVTESA-N 3 2 379.549 0.119 20 0 GCADLP CCC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639179 1199294191 /nfs/dbraw/zinc/29/41/91/1199294191.db2.gz IPNXQEQTUYZRFW-MRXNPFEDSA-N 2 2 380.533 0.282 20 0 GCADLP CCC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639179 1199294195 /nfs/dbraw/zinc/29/41/95/1199294195.db2.gz IPNXQEQTUYZRFW-MRXNPFEDSA-N 2 2 380.533 0.282 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(C[C@H]3CCOC3)C3CC3)C2)CC1 ZINC000672638867 1199294545 /nfs/dbraw/zinc/29/45/45/1199294545.db2.gz ZPFMXNRJIJBYEY-CVEARBPZSA-N 2 2 378.517 0.299 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(C[C@H]3CCOC3)C3CC3)C2)CC1 ZINC000672638867 1199294549 /nfs/dbraw/zinc/29/45/49/1199294549.db2.gz ZPFMXNRJIJBYEY-CVEARBPZSA-N 2 2 378.517 0.299 20 0 GCADLP CN(CCOc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639648 1199296012 /nfs/dbraw/zinc/29/60/12/1199296012.db2.gz MYHXDLRPAFKBAX-KRWDZBQOSA-N 2 2 388.512 0.809 20 0 GCADLP CN(CCOc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639648 1199296018 /nfs/dbraw/zinc/29/60/18/1199296018.db2.gz MYHXDLRPAFKBAX-KRWDZBQOSA-N 2 2 388.512 0.809 20 0 GCADLP Cn1cccc1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641530 1199297559 /nfs/dbraw/zinc/29/75/59/1199297559.db2.gz RDTHCRSTWCAXKL-VQIMIIECSA-N 2 2 387.528 0.973 20 0 GCADLP Cn1cccc1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641530 1199297564 /nfs/dbraw/zinc/29/75/64/1199297564.db2.gz RDTHCRSTWCAXKL-VQIMIIECSA-N 2 2 387.528 0.973 20 0 GCADLP C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641370 1199297852 /nfs/dbraw/zinc/29/78/52/1199297852.db2.gz PQBICWVFZZVSGX-JZXOWHBKSA-N 2 2 380.533 0.423 20 0 GCADLP C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641370 1199297857 /nfs/dbraw/zinc/29/78/57/1199297857.db2.gz PQBICWVFZZVSGX-JZXOWHBKSA-N 2 2 380.533 0.423 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@@H](C(C)(C)C)C3)C2)CC1 ZINC000672641089 1199298243 /nfs/dbraw/zinc/29/82/43/1199298243.db2.gz KZGRIJDDVFIGLC-XYJFISCASA-N 2 2 394.560 0.981 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@@H](C(C)(C)C)C3)C2)CC1 ZINC000672641089 1199298246 /nfs/dbraw/zinc/29/82/46/1199298246.db2.gz KZGRIJDDVFIGLC-XYJFISCASA-N 2 2 394.560 0.981 20 0 GCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640966 1199298290 /nfs/dbraw/zinc/29/82/90/1199298290.db2.gz HSVQAMYJFVJVAC-QZTJIDSGSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640966 1199298292 /nfs/dbraw/zinc/29/82/92/1199298292.db2.gz HSVQAMYJFVJVAC-QZTJIDSGSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640966 1199298296 /nfs/dbraw/zinc/29/82/96/1199298296.db2.gz HSVQAMYJFVJVAC-QZTJIDSGSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640966 1199298300 /nfs/dbraw/zinc/29/83/00/1199298300.db2.gz HSVQAMYJFVJVAC-QZTJIDSGSA-N 3 2 393.576 0.604 20 0 GCADLP Cn1cccc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641525 1199298330 /nfs/dbraw/zinc/29/83/30/1199298330.db2.gz RDTHCRSTWCAXKL-APWZRJJASA-N 2 2 387.528 0.973 20 0 GCADLP Cn1cccc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641525 1199298332 /nfs/dbraw/zinc/29/83/32/1199298332.db2.gz RDTHCRSTWCAXKL-APWZRJJASA-N 2 2 387.528 0.973 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4CC3)C2)CC1 ZINC000672641448 1199299133 /nfs/dbraw/zinc/29/91/33/1199299133.db2.gz RPRSDUPINFBCBR-IBGZPJMESA-N 2 2 384.524 0.899 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4CC3)C2)CC1 ZINC000672641448 1199299136 /nfs/dbraw/zinc/29/91/36/1199299136.db2.gz RPRSDUPINFBCBR-IBGZPJMESA-N 2 2 384.524 0.899 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc4c(n3)CCCC4)C2)CC1 ZINC000672642295 1199299971 /nfs/dbraw/zinc/29/99/71/1199299971.db2.gz FJPLFPMHDHRQOM-GOSISDBHSA-N 2 2 399.539 0.861 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc4c(n3)CCCC4)C2)CC1 ZINC000672642295 1199299977 /nfs/dbraw/zinc/29/99/77/1199299977.db2.gz FJPLFPMHDHRQOM-GOSISDBHSA-N 2 2 399.539 0.861 20 0 GCADLP CN(CCC1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642202 1199300218 /nfs/dbraw/zinc/30/02/18/1199300218.db2.gz YYSRXALPILVBPV-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP CN(CCC1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642202 1199300224 /nfs/dbraw/zinc/30/02/24/1199300224.db2.gz YYSRXALPILVBPV-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672642550 1199300829 /nfs/dbraw/zinc/30/08/29/1199300829.db2.gz NPSCLMLQLDJIAG-BPQIPLTHSA-N 2 2 394.560 0.979 20 0 GCADLP CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672642550 1199300833 /nfs/dbraw/zinc/30/08/33/1199300833.db2.gz NPSCLMLQLDJIAG-BPQIPLTHSA-N 2 2 394.560 0.979 20 0 GCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672642506 1199300921 /nfs/dbraw/zinc/30/09/21/1199300921.db2.gz MSCRGSLXOQOOLT-SOLBZPMBSA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672642506 1199300927 /nfs/dbraw/zinc/30/09/27/1199300927.db2.gz MSCRGSLXOQOOLT-SOLBZPMBSA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642506 1199300934 /nfs/dbraw/zinc/30/09/34/1199300934.db2.gz MSCRGSLXOQOOLT-SOLBZPMBSA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642506 1199300938 /nfs/dbraw/zinc/30/09/38/1199300938.db2.gz MSCRGSLXOQOOLT-SOLBZPMBSA-N 3 2 379.549 0.070 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCCCC4)C3)C2)CC1 ZINC000672642332 1199300970 /nfs/dbraw/zinc/30/09/70/1199300970.db2.gz GVHKXZFVVTUBGV-QGZVFWFLSA-N 2 2 392.544 0.833 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCCCC4)C3)C2)CC1 ZINC000672642332 1199300974 /nfs/dbraw/zinc/30/09/74/1199300974.db2.gz GVHKXZFVVTUBGV-QGZVFWFLSA-N 2 2 392.544 0.833 20 0 GCADLP CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672642561 1199301314 /nfs/dbraw/zinc/30/13/14/1199301314.db2.gz NPSCLMLQLDJIAG-RYQLBKOJSA-N 2 2 394.560 0.979 20 0 GCADLP CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672642561 1199301319 /nfs/dbraw/zinc/30/13/19/1199301319.db2.gz NPSCLMLQLDJIAG-RYQLBKOJSA-N 2 2 394.560 0.979 20 0 GCADLP Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641578 1199301750 /nfs/dbraw/zinc/30/17/50/1199301750.db2.gz RNPUVZSGZHSGNE-DOMZBBRYSA-N 2 2 377.489 0.753 20 0 GCADLP Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641578 1199301755 /nfs/dbraw/zinc/30/17/55/1199301755.db2.gz RNPUVZSGZHSGNE-DOMZBBRYSA-N 2 2 377.489 0.753 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642910 1199305177 /nfs/dbraw/zinc/30/51/77/1199305177.db2.gz JQTXBLXWQKMAIE-ZWKOTPCHSA-N 3 2 393.576 0.652 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642910 1199305180 /nfs/dbraw/zinc/30/51/80/1199305180.db2.gz JQTXBLXWQKMAIE-ZWKOTPCHSA-N 3 2 393.576 0.652 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)C2)CC1 ZINC000672643056 1199305207 /nfs/dbraw/zinc/30/52/07/1199305207.db2.gz NNXJXUCRXLBIOY-SOLBZPMBSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)C2)CC1 ZINC000672643056 1199305213 /nfs/dbraw/zinc/30/52/13/1199305213.db2.gz NNXJXUCRXLBIOY-SOLBZPMBSA-N 2 2 378.517 0.345 20 0 GCADLP COC[C@@H]1CCCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642694 1199305508 /nfs/dbraw/zinc/30/55/08/1199305508.db2.gz DRWDSRGSNBLJJI-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP COC[C@@H]1CCCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642694 1199305515 /nfs/dbraw/zinc/30/55/15/1199305515.db2.gz DRWDSRGSNBLJJI-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000672642767 1199306172 /nfs/dbraw/zinc/30/61/72/1199306172.db2.gz HUQIVQRHONABSK-KRWDZBQOSA-N 2 2 388.512 0.905 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000672642767 1199306173 /nfs/dbraw/zinc/30/61/73/1199306173.db2.gz HUQIVQRHONABSK-KRWDZBQOSA-N 2 2 388.512 0.905 20 0 GCADLP Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642704 1199306553 /nfs/dbraw/zinc/30/65/53/1199306553.db2.gz FGDJJRPCUKOXAK-BBRMVZONSA-N 2 2 391.516 0.623 20 0 GCADLP Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642704 1199306559 /nfs/dbraw/zinc/30/65/59/1199306559.db2.gz FGDJJRPCUKOXAK-BBRMVZONSA-N 2 2 391.516 0.623 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000672655167 1199309636 /nfs/dbraw/zinc/30/96/36/1199309636.db2.gz PIZRNMBEOAGZGP-GOSISDBHSA-N 2 2 382.549 0.936 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000672655167 1199309639 /nfs/dbraw/zinc/30/96/39/1199309639.db2.gz PIZRNMBEOAGZGP-GOSISDBHSA-N 2 2 382.549 0.936 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672655323 1199310371 /nfs/dbraw/zinc/31/03/71/1199310371.db2.gz KUZYYNZWDSOZQE-ROUUACIJSA-N 2 2 380.533 0.690 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672655323 1199310375 /nfs/dbraw/zinc/31/03/75/1199310375.db2.gz KUZYYNZWDSOZQE-ROUUACIJSA-N 2 2 380.533 0.690 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672677230 1199315086 /nfs/dbraw/zinc/31/50/86/1199315086.db2.gz OXVBDDXHUIMPRN-WBVHZDCISA-N 2 2 388.516 0.010 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672677230 1199315089 /nfs/dbraw/zinc/31/50/89/1199315089.db2.gz OXVBDDXHUIMPRN-WBVHZDCISA-N 2 2 388.516 0.010 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000672695655 1199315751 /nfs/dbraw/zinc/31/57/51/1199315751.db2.gz GUMKCRRENTYLFX-QGZVFWFLSA-N 3 2 381.565 0.461 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000672695655 1199315758 /nfs/dbraw/zinc/31/57/58/1199315758.db2.gz GUMKCRRENTYLFX-QGZVFWFLSA-N 3 2 381.565 0.461 20 0 GCADLP Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000672718674 1199320699 /nfs/dbraw/zinc/32/06/99/1199320699.db2.gz CTAPBNZZORZJTJ-ZDUSSCGKSA-N 2 2 379.505 0.953 20 0 GCADLP Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000672718674 1199320704 /nfs/dbraw/zinc/32/07/04/1199320704.db2.gz CTAPBNZZORZJTJ-ZDUSSCGKSA-N 2 2 379.505 0.953 20 0 GCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000672722546 1199321591 /nfs/dbraw/zinc/32/15/91/1199321591.db2.gz WFLFGTVHWMXOHD-IAGOWNOFSA-N 2 2 382.549 0.792 20 0 GCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000672722545 1199321727 /nfs/dbraw/zinc/32/17/27/1199321727.db2.gz WFLFGTVHWMXOHD-DLBZAZTESA-N 2 2 382.549 0.792 20 0 GCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672767758 1199330730 /nfs/dbraw/zinc/33/07/30/1199330730.db2.gz IUXPXKZPUQVNFP-UHFFFAOYSA-N 2 2 375.473 0.338 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000499639224 1199388391 /nfs/dbraw/zinc/38/83/91/1199388391.db2.gz CTMREGHIMOFUKM-SJLPKXTDSA-N 2 2 398.511 0.435 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000129879410 1199402603 /nfs/dbraw/zinc/40/26/03/1199402603.db2.gz PVNPXPYIPAIQOO-KGLIPLIRSA-N 2 2 384.488 0.820 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@H+]1C1CC1 ZINC000129879410 1199402606 /nfs/dbraw/zinc/40/26/06/1199402606.db2.gz PVNPXPYIPAIQOO-KGLIPLIRSA-N 2 2 384.488 0.820 20 0 GCADLP C[C@@H](Cc1ccncc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673104570 1199422582 /nfs/dbraw/zinc/42/25/82/1199422582.db2.gz OSCVROYSNIWSHV-QFBILLFUSA-N 2 2 387.528 0.756 20 0 GCADLP C[C@@H](Cc1ccncc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673104570 1199422583 /nfs/dbraw/zinc/42/25/83/1199422583.db2.gz OSCVROYSNIWSHV-QFBILLFUSA-N 2 2 387.528 0.756 20 0 GCADLP O=C(N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)[C@H]1CCS(=O)(=O)N1 ZINC001272982336 1199459300 /nfs/dbraw/zinc/45/93/00/1199459300.db2.gz QPWITKLBQRCZEJ-OIISXLGYSA-N 2 2 381.502 0.126 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000673174329 1199462495 /nfs/dbraw/zinc/46/24/95/1199462495.db2.gz FHRXMQNPAUFOBB-FPAYPSAMSA-N 2 2 388.512 0.458 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000673174329 1199462498 /nfs/dbraw/zinc/46/24/98/1199462498.db2.gz FHRXMQNPAUFOBB-FPAYPSAMSA-N 2 2 388.512 0.458 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000673174329 1199462504 /nfs/dbraw/zinc/46/25/04/1199462504.db2.gz FHRXMQNPAUFOBB-FPAYPSAMSA-N 2 2 388.512 0.458 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673176985 1199463658 /nfs/dbraw/zinc/46/36/58/1199463658.db2.gz QBAAJPZJWNUEMW-YJBOKZPZSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673176985 1199463663 /nfs/dbraw/zinc/46/36/63/1199463663.db2.gz QBAAJPZJWNUEMW-YJBOKZPZSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000673174332 1199463807 /nfs/dbraw/zinc/46/38/07/1199463807.db2.gz FHRXMQNPAUFOBB-ZAWLATJESA-N 2 2 388.512 0.458 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000673174332 1199463812 /nfs/dbraw/zinc/46/38/12/1199463812.db2.gz FHRXMQNPAUFOBB-ZAWLATJESA-N 2 2 388.512 0.458 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000673174332 1199463816 /nfs/dbraw/zinc/46/38/16/1199463816.db2.gz FHRXMQNPAUFOBB-ZAWLATJESA-N 2 2 388.512 0.458 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000673174332 1199463821 /nfs/dbraw/zinc/46/38/21/1199463821.db2.gz FHRXMQNPAUFOBB-ZAWLATJESA-N 2 2 388.512 0.458 20 0 GCADLP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673213697 1199482411 /nfs/dbraw/zinc/48/24/11/1199482411.db2.gz LPQQXBIFTDXCKX-RYRKJORJSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673213697 1199482414 /nfs/dbraw/zinc/48/24/14/1199482414.db2.gz LPQQXBIFTDXCKX-RYRKJORJSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673213694 1199482614 /nfs/dbraw/zinc/48/26/14/1199482614.db2.gz LPQQXBIFTDXCKX-JFIYKMOQSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673213694 1199482617 /nfs/dbraw/zinc/48/26/17/1199482617.db2.gz LPQQXBIFTDXCKX-JFIYKMOQSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224137 1199487761 /nfs/dbraw/zinc/48/77/61/1199487761.db2.gz KKTCWSOXNSGCMP-WMZOPIPTSA-N 3 2 395.592 0.706 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224137 1199487763 /nfs/dbraw/zinc/48/77/63/1199487763.db2.gz KKTCWSOXNSGCMP-WMZOPIPTSA-N 3 2 395.592 0.706 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287038 1199517543 /nfs/dbraw/zinc/51/75/43/1199517543.db2.gz WGWVIQYFHAGBRB-GOSISDBHSA-N 3 2 375.517 0.241 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287038 1199517547 /nfs/dbraw/zinc/51/75/47/1199517547.db2.gz WGWVIQYFHAGBRB-GOSISDBHSA-N 3 2 375.517 0.241 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000673285799 1199520388 /nfs/dbraw/zinc/52/03/88/1199520388.db2.gz PNVKUQOLQMXRSQ-IBGZPJMESA-N 2 2 386.496 0.613 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000673285799 1199520391 /nfs/dbraw/zinc/52/03/91/1199520391.db2.gz PNVKUQOLQMXRSQ-IBGZPJMESA-N 2 2 386.496 0.613 20 0 GCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673301539 1199528274 /nfs/dbraw/zinc/52/82/74/1199528274.db2.gz WTHUBTGLWKVSPZ-ZWKOTPCHSA-N 2 2 385.512 0.967 20 0 GCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673301539 1199528279 /nfs/dbraw/zinc/52/82/79/1199528279.db2.gz WTHUBTGLWKVSPZ-ZWKOTPCHSA-N 2 2 385.512 0.967 20 0 GCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673337177 1199548177 /nfs/dbraw/zinc/54/81/77/1199548177.db2.gz QVFYSDYGAXQPQN-SFHVURJKSA-N 3 2 381.565 0.461 20 0 GCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673337177 1199548181 /nfs/dbraw/zinc/54/81/81/1199548181.db2.gz QVFYSDYGAXQPQN-SFHVURJKSA-N 3 2 381.565 0.461 20 0 GCADLP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673337177 1199548185 /nfs/dbraw/zinc/54/81/85/1199548185.db2.gz QVFYSDYGAXQPQN-SFHVURJKSA-N 3 2 381.565 0.461 20 0 GCADLP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673337177 1199548190 /nfs/dbraw/zinc/54/81/90/1199548190.db2.gz QVFYSDYGAXQPQN-SFHVURJKSA-N 3 2 381.565 0.461 20 0 GCADLP COCC[NH+]1CCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000261385794 1199777955 /nfs/dbraw/zinc/77/79/55/1199777955.db2.gz BPOGVYZEMVLWMS-HXUWFJFHSA-N 2 2 389.544 0.949 20 0 GCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)C1 ZINC001004215148 1199818291 /nfs/dbraw/zinc/81/82/91/1199818291.db2.gz HELNFBVEHKETMM-WCXIOVBPSA-N 2 2 375.473 0.160 20 0 GCADLP CC[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)C1 ZINC001004215148 1199818296 /nfs/dbraw/zinc/81/82/96/1199818296.db2.gz HELNFBVEHKETMM-WCXIOVBPSA-N 2 2 375.473 0.160 20 0 GCADLP CSc1cc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000673579101 1199824185 /nfs/dbraw/zinc/82/41/85/1199824185.db2.gz QJDOKPRDKGIROU-UHFFFAOYSA-N 2 2 393.557 0.904 20 0 GCADLP CSc1cc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000673579101 1199824188 /nfs/dbraw/zinc/82/41/88/1199824188.db2.gz QJDOKPRDKGIROU-UHFFFAOYSA-N 2 2 393.557 0.904 20 0 GCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000673608171 1199850004 /nfs/dbraw/zinc/85/00/04/1199850004.db2.gz PVNJOFVGQNEKEA-OAHLLOKOSA-N 2 2 388.516 0.731 20 0 GCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[N@H+](C)CC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000673608171 1199850006 /nfs/dbraw/zinc/85/00/06/1199850006.db2.gz PVNJOFVGQNEKEA-OAHLLOKOSA-N 2 2 388.516 0.731 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)O1 ZINC000330303623 1199855504 /nfs/dbraw/zinc/85/55/04/1199855504.db2.gz JYTKDZLMXKIFHX-PTZATXGZSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)O1 ZINC000330303623 1199855509 /nfs/dbraw/zinc/85/55/09/1199855509.db2.gz JYTKDZLMXKIFHX-PTZATXGZSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)O1 ZINC000330303623 1199855511 /nfs/dbraw/zinc/85/55/11/1199855511.db2.gz JYTKDZLMXKIFHX-PTZATXGZSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)O1 ZINC000330303623 1199855522 /nfs/dbraw/zinc/85/55/22/1199855522.db2.gz JYTKDZLMXKIFHX-PTZATXGZSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)O1 ZINC000330303622 1199855907 /nfs/dbraw/zinc/85/59/07/1199855907.db2.gz JYTKDZLMXKIFHX-NWCWSAAOSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)O1 ZINC000330303622 1199855910 /nfs/dbraw/zinc/85/59/10/1199855910.db2.gz JYTKDZLMXKIFHX-NWCWSAAOSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)O1 ZINC000330303622 1199855912 /nfs/dbraw/zinc/85/59/12/1199855912.db2.gz JYTKDZLMXKIFHX-NWCWSAAOSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)O1 ZINC000330303622 1199855914 /nfs/dbraw/zinc/85/59/14/1199855914.db2.gz JYTKDZLMXKIFHX-NWCWSAAOSA-N 2 2 380.533 0.636 20 0 GCADLP CCO[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000625324637 1199937123 /nfs/dbraw/zinc/93/71/23/1199937123.db2.gz GPROLVDUPFXJAH-IBGZPJMESA-N 2 2 380.533 0.498 20 0 GCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)CC1 ZINC001168746265 1199960501 /nfs/dbraw/zinc/96/05/01/1199960501.db2.gz GSHSWKWRYIEHJG-UHFFFAOYSA-N 3 2 380.518 0.311 20 0 GCADLP NC(=O)C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCOCC1 ZINC000543497418 1199965453 /nfs/dbraw/zinc/96/54/53/1199965453.db2.gz MCYKAKKIACZGLT-KRWDZBQOSA-N 2 2 394.541 0.653 20 0 GCADLP CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000625468906 1199966452 /nfs/dbraw/zinc/96/64/52/1199966452.db2.gz XLMLQPQXUYDWKR-ROUUACIJSA-N 2 2 382.549 0.935 20 0 GCADLP CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000625468906 1199966455 /nfs/dbraw/zinc/96/64/55/1199966455.db2.gz XLMLQPQXUYDWKR-ROUUACIJSA-N 2 2 382.549 0.935 20 0 GCADLP CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000625468901 1199966483 /nfs/dbraw/zinc/96/64/83/1199966483.db2.gz XLMLQPQXUYDWKR-MSOLQXFVSA-N 2 2 382.549 0.935 20 0 GCADLP CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000625468901 1199966486 /nfs/dbraw/zinc/96/64/86/1199966486.db2.gz XLMLQPQXUYDWKR-MSOLQXFVSA-N 2 2 382.549 0.935 20 0 GCADLP CN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625503864 1199984557 /nfs/dbraw/zinc/98/45/57/1199984557.db2.gz NJTQRYPAFSIZCC-NVXWUHKLSA-N 2 2 388.516 0.400 20 0 GCADLP CN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625503864 1199984565 /nfs/dbraw/zinc/98/45/65/1199984565.db2.gz NJTQRYPAFSIZCC-NVXWUHKLSA-N 2 2 388.516 0.400 20 0 GCADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000674323681 1200221180 /nfs/dbraw/zinc/22/11/80/1200221180.db2.gz ISOFBBQRUCTIEY-UHFFFAOYSA-N 2 2 387.528 0.579 20 0 GCADLP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000658147843 1200324522 /nfs/dbraw/zinc/32/45/22/1200324522.db2.gz FNHYQBOWNVFYCO-UHFFFAOYSA-N 2 2 392.544 0.644 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670486207 1200330684 /nfs/dbraw/zinc/33/06/84/1200330684.db2.gz WTBDIPCFQUPERV-SFHVURJKSA-N 2 2 388.512 0.938 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670486207 1200330693 /nfs/dbraw/zinc/33/06/93/1200330693.db2.gz WTBDIPCFQUPERV-SFHVURJKSA-N 2 2 388.512 0.938 20 0 GCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C(=O)N1c1cnn(C)c1 ZINC000675553356 1200432844 /nfs/dbraw/zinc/43/28/44/1200432844.db2.gz VUPFFCGAWGSBDI-PBHICJAKSA-N 2 2 384.488 0.246 20 0 GCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000675709773 1200454507 /nfs/dbraw/zinc/45/45/07/1200454507.db2.gz DFAKZSROJQFFOD-MSOLQXFVSA-N 2 2 381.565 0.955 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000676047697 1200480607 /nfs/dbraw/zinc/48/06/07/1200480607.db2.gz UDSDKTCVXOANMZ-YSIASYRMSA-N 3 2 393.576 0.832 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000676047697 1200480610 /nfs/dbraw/zinc/48/06/10/1200480610.db2.gz UDSDKTCVXOANMZ-YSIASYRMSA-N 3 2 393.576 0.832 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)C2)CC1 ZINC000676147849 1200502578 /nfs/dbraw/zinc/50/25/78/1200502578.db2.gz NPDHOWLYSLEVPZ-KKSFZXQISA-N 2 2 399.495 0.640 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)C2)CC1 ZINC000676147849 1200502580 /nfs/dbraw/zinc/50/25/80/1200502580.db2.gz NPDHOWLYSLEVPZ-KKSFZXQISA-N 2 2 399.495 0.640 20 0 GCADLP C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246594 1200515152 /nfs/dbraw/zinc/51/51/52/1200515152.db2.gz XBBQWPMIRKILGO-SXLOBPIMSA-N 2 2 389.544 0.993 20 0 GCADLP C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246594 1200515155 /nfs/dbraw/zinc/51/51/55/1200515155.db2.gz XBBQWPMIRKILGO-SXLOBPIMSA-N 2 2 389.544 0.993 20 0 GCADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676243185 1200515271 /nfs/dbraw/zinc/51/52/71/1200515271.db2.gz FFFWUJSQKURJKM-IEBWSBKVSA-N 3 2 390.532 0.612 20 0 GCADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243185 1200515273 /nfs/dbraw/zinc/51/52/73/1200515273.db2.gz FFFWUJSQKURJKM-IEBWSBKVSA-N 3 2 390.532 0.612 20 0 GCADLP Cc1c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676587933 1200573557 /nfs/dbraw/zinc/57/35/57/1200573557.db2.gz JOBBMPJTSCMKQB-QGZVFWFLSA-N 2 2 395.511 0.293 20 0 GCADLP Cc1c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000676587933 1200573562 /nfs/dbraw/zinc/57/35/62/1200573562.db2.gz JOBBMPJTSCMKQB-QGZVFWFLSA-N 2 2 395.511 0.293 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H](C)O1 ZINC000438353924 1200612114 /nfs/dbraw/zinc/61/21/14/1200612114.db2.gz FJCZXPHFXZWULH-IAGOWNOFSA-N 2 2 394.520 0.836 20 0 GCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376617432 1200699416 /nfs/dbraw/zinc/69/94/16/1200699416.db2.gz VPNVXMUYODKOEH-DOTOQJQBSA-N 2 2 376.505 1.477 20 0 GCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000477108585 1200829404 /nfs/dbraw/zinc/82/94/04/1200829404.db2.gz QYHAWBMTYUZFME-IEBWSBKVSA-N 2 2 390.528 0.850 20 0 GCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000477108585 1200829409 /nfs/dbraw/zinc/82/94/09/1200829409.db2.gz QYHAWBMTYUZFME-IEBWSBKVSA-N 2 2 390.528 0.850 20 0 GCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000428895377 1200845756 /nfs/dbraw/zinc/84/57/56/1200845756.db2.gz ORFSIGHRKWFPDZ-QGZVFWFLSA-N 2 2 378.521 1.411 20 0 GCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000428895377 1200845765 /nfs/dbraw/zinc/84/57/65/1200845765.db2.gz ORFSIGHRKWFPDZ-QGZVFWFLSA-N 2 2 378.521 1.411 20 0 GCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000428895376 1200846107 /nfs/dbraw/zinc/84/61/07/1200846107.db2.gz ORFSIGHRKWFPDZ-KRWDZBQOSA-N 2 2 378.521 1.411 20 0 GCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000428895376 1200846113 /nfs/dbraw/zinc/84/61/13/1200846113.db2.gz ORFSIGHRKWFPDZ-KRWDZBQOSA-N 2 2 378.521 1.411 20 0 GCADLP COCCC[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438325451 1200853415 /nfs/dbraw/zinc/85/34/15/1200853415.db2.gz MTDIIMDPTYAYRL-UHFFFAOYSA-N 2 2 394.520 0.838 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000608313140 1200876719 /nfs/dbraw/zinc/87/67/19/1200876719.db2.gz RIBXDYNNTLNRFA-UHFFFAOYSA-N 2 2 385.472 0.964 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329286264 1201005275 /nfs/dbraw/zinc/00/52/75/1201005275.db2.gz MAHLCCWIYIUIRB-SJORKVTESA-N 2 2 376.505 1.306 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329286264 1201005283 /nfs/dbraw/zinc/00/52/83/1201005283.db2.gz MAHLCCWIYIUIRB-SJORKVTESA-N 2 2 376.505 1.306 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329286262 1201005776 /nfs/dbraw/zinc/00/57/76/1201005776.db2.gz MAHLCCWIYIUIRB-IAGOWNOFSA-N 2 2 376.505 1.306 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329286262 1201005780 /nfs/dbraw/zinc/00/57/80/1201005780.db2.gz MAHLCCWIYIUIRB-IAGOWNOFSA-N 2 2 376.505 1.306 20 0 GCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371834962 1201143402 /nfs/dbraw/zinc/14/34/02/1201143402.db2.gz ORDYSPHECXXOLG-OAHLLOKOSA-N 2 2 376.553 0.930 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000611394962 1201235983 /nfs/dbraw/zinc/23/59/83/1201235983.db2.gz YAFAXEGYDWDQLL-INIZCTEOSA-N 2 2 383.537 0.291 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000611394962 1201235989 /nfs/dbraw/zinc/23/59/89/1201235989.db2.gz YAFAXEGYDWDQLL-INIZCTEOSA-N 2 2 383.537 0.291 20 0 GCADLP COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079137002 1201247395 /nfs/dbraw/zinc/24/73/95/1201247395.db2.gz ONGYZPUQKUFYCB-VBSBHUPXSA-N 2 2 391.512 0.426 20 0 GCADLP COCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079137002 1201247401 /nfs/dbraw/zinc/24/74/01/1201247401.db2.gz ONGYZPUQKUFYCB-VBSBHUPXSA-N 2 2 391.512 0.426 20 0 GCADLP COCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079137002 1201247405 /nfs/dbraw/zinc/24/74/05/1201247405.db2.gz ONGYZPUQKUFYCB-VBSBHUPXSA-N 2 2 391.512 0.426 20 0 GCADLP COCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079137002 1201247407 /nfs/dbraw/zinc/24/74/07/1201247407.db2.gz ONGYZPUQKUFYCB-VBSBHUPXSA-N 2 2 391.512 0.426 20 0 GCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717513 1201253905 /nfs/dbraw/zinc/25/39/05/1201253905.db2.gz LNMJKQDUHFKFDG-AXUOBQJMSA-N 2 2 390.532 0.499 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717513 1201253909 /nfs/dbraw/zinc/25/39/09/1201253909.db2.gz LNMJKQDUHFKFDG-AXUOBQJMSA-N 2 2 390.532 0.499 20 0 GCADLP C[C@@H]1C[N@H+](Cc2nc(-c3ccncn3)no2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079723689 1201254932 /nfs/dbraw/zinc/25/49/32/1201254932.db2.gz FEMZIJYNEHUHIU-IXYNUQLISA-N 2 2 385.472 0.803 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2nc(-c3ccncn3)no2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079723689 1201254935 /nfs/dbraw/zinc/25/49/35/1201254935.db2.gz FEMZIJYNEHUHIU-IXYNUQLISA-N 2 2 385.472 0.803 20 0 GCADLP C[C@@H]1C[NH+](Cc2nc(-c3ccncn3)no2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079723689 1201254938 /nfs/dbraw/zinc/25/49/38/1201254938.db2.gz FEMZIJYNEHUHIU-IXYNUQLISA-N 2 2 385.472 0.803 20 0 GCADLP C[C@@H]1C[NH+](Cc2nc(-c3ccncn3)no2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079723689 1201254942 /nfs/dbraw/zinc/25/49/42/1201254942.db2.gz FEMZIJYNEHUHIU-IXYNUQLISA-N 2 2 385.472 0.803 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950467 1201260727 /nfs/dbraw/zinc/26/07/27/1201260727.db2.gz VILWNSVBYWXPFK-JOCBIADPSA-N 2 2 380.533 0.591 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950467 1201260729 /nfs/dbraw/zinc/26/07/29/1201260729.db2.gz VILWNSVBYWXPFK-JOCBIADPSA-N 2 2 380.533 0.591 20 0 GCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079950467 1201260733 /nfs/dbraw/zinc/26/07/33/1201260733.db2.gz VILWNSVBYWXPFK-JOCBIADPSA-N 2 2 380.533 0.591 20 0 GCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079950467 1201260736 /nfs/dbraw/zinc/26/07/36/1201260736.db2.gz VILWNSVBYWXPFK-JOCBIADPSA-N 2 2 380.533 0.591 20 0 GCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081846875 1201305991 /nfs/dbraw/zinc/30/59/91/1201305991.db2.gz LHIGOSPBRVWVCF-BDQAWRDZSA-N 2 2 380.489 0.580 20 0 GCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081846875 1201305997 /nfs/dbraw/zinc/30/59/97/1201305997.db2.gz LHIGOSPBRVWVCF-BDQAWRDZSA-N 2 2 380.489 0.580 20 0 GCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081846875 1201306002 /nfs/dbraw/zinc/30/60/02/1201306002.db2.gz LHIGOSPBRVWVCF-BDQAWRDZSA-N 2 2 380.489 0.580 20 0 GCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081846875 1201306008 /nfs/dbraw/zinc/30/60/08/1201306008.db2.gz LHIGOSPBRVWVCF-BDQAWRDZSA-N 2 2 380.489 0.580 20 0 GCADLP CO[C@@H]1C[N@H+](CC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977706 1201314245 /nfs/dbraw/zinc/31/42/45/1201314245.db2.gz QGSSJGQOEBTGTQ-AKHDSKFASA-N 2 2 381.517 0.482 20 0 GCADLP CO[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977706 1201314249 /nfs/dbraw/zinc/31/42/49/1201314249.db2.gz QGSSJGQOEBTGTQ-AKHDSKFASA-N 2 2 381.517 0.482 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1[NH2+]CCn1cncn1 ZINC001082517991 1201336352 /nfs/dbraw/zinc/33/63/52/1201336352.db2.gz STRPTDOOJSSFHT-BRSBDYLESA-N 2 2 383.500 0.882 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001082590173 1201338711 /nfs/dbraw/zinc/33/87/11/1201338711.db2.gz HCUAHAUTBVGMSJ-RRCSTGOVSA-N 2 2 389.456 0.985 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001082590173 1201338722 /nfs/dbraw/zinc/33/87/22/1201338722.db2.gz HCUAHAUTBVGMSJ-RRCSTGOVSA-N 2 2 389.456 0.985 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082656967 1201342407 /nfs/dbraw/zinc/34/24/07/1201342407.db2.gz DAZAPJGCOXBLNF-OWYHZJEWSA-N 2 2 391.516 0.236 20 0 GCADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001082657299 1201342582 /nfs/dbraw/zinc/34/25/82/1201342582.db2.gz RYFKVNTXJJMENS-DDBAPUKQSA-N 2 2 392.500 0.799 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082657160 1201342804 /nfs/dbraw/zinc/34/28/04/1201342804.db2.gz MPUKQCARVYHWEG-OWYHZJEWSA-N 2 2 391.516 0.236 20 0 GCADLP CC[NH+]1CCN(C(=O)Cc2c(C(=O)N3CC[NH+](CC)CC3)c(C)cn2C)CC1 ZINC000279756091 1201354059 /nfs/dbraw/zinc/35/40/59/1201354059.db2.gz QOBZUZGWXJUYQN-UHFFFAOYSA-N 2 2 389.544 0.818 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000727603318 1201360393 /nfs/dbraw/zinc/36/03/93/1201360393.db2.gz LGUVONKHZPPYPG-MRXNPFEDSA-N 2 2 391.516 0.498 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000727603318 1201360397 /nfs/dbraw/zinc/36/03/97/1201360397.db2.gz LGUVONKHZPPYPG-MRXNPFEDSA-N 2 2 391.516 0.498 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000526996266 1201361955 /nfs/dbraw/zinc/36/19/55/1201361955.db2.gz GNGHJFNRJJDLDF-SFHVURJKSA-N 2 2 380.533 0.689 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000526996266 1201361956 /nfs/dbraw/zinc/36/19/56/1201361956.db2.gz GNGHJFNRJJDLDF-SFHVURJKSA-N 2 2 380.533 0.689 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000535294474 1201369339 /nfs/dbraw/zinc/36/93/39/1201369339.db2.gz NICZSCMLCMGPPK-HXUWFJFHSA-N 2 2 389.544 0.862 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000535294474 1201369345 /nfs/dbraw/zinc/36/93/45/1201369345.db2.gz NICZSCMLCMGPPK-HXUWFJFHSA-N 2 2 389.544 0.862 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)O1 ZINC001083119436 1201379422 /nfs/dbraw/zinc/37/94/22/1201379422.db2.gz SKAXYEUCHVEMJC-XLNGHYISSA-N 2 2 380.514 0.316 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)O1 ZINC001083119436 1201379429 /nfs/dbraw/zinc/37/94/29/1201379429.db2.gz SKAXYEUCHVEMJC-XLNGHYISSA-N 2 2 380.514 0.316 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)O1 ZINC001083119436 1201379436 /nfs/dbraw/zinc/37/94/36/1201379436.db2.gz SKAXYEUCHVEMJC-XLNGHYISSA-N 2 2 380.514 0.316 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)O1 ZINC001083119436 1201379442 /nfs/dbraw/zinc/37/94/42/1201379442.db2.gz SKAXYEUCHVEMJC-XLNGHYISSA-N 2 2 380.514 0.316 20 0 GCADLP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@H]3C2)cn1 ZINC001083119380 1201379616 /nfs/dbraw/zinc/37/96/16/1201379616.db2.gz PYBFFMUPUQHKKN-QXCFHYIPSA-N 2 2 391.516 0.076 20 0 GCADLP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@H]3C2)cn1 ZINC001083119380 1201379620 /nfs/dbraw/zinc/37/96/20/1201379620.db2.gz PYBFFMUPUQHKKN-QXCFHYIPSA-N 2 2 391.516 0.076 20 0 GCADLP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@H]3C2)cn1 ZINC001083119380 1201379621 /nfs/dbraw/zinc/37/96/21/1201379621.db2.gz PYBFFMUPUQHKKN-QXCFHYIPSA-N 2 2 391.516 0.076 20 0 GCADLP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@H]3C2)cn1 ZINC001083119380 1201379622 /nfs/dbraw/zinc/37/96/22/1201379622.db2.gz PYBFFMUPUQHKKN-QXCFHYIPSA-N 2 2 391.516 0.076 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC001084357121 1201409669 /nfs/dbraw/zinc/40/96/69/1201409669.db2.gz IVGUSALYPFFLSV-QXCFHYIPSA-N 2 2 392.544 0.545 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC001084357121 1201409675 /nfs/dbraw/zinc/40/96/75/1201409675.db2.gz IVGUSALYPFFLSV-QXCFHYIPSA-N 2 2 392.544 0.545 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001084357121 1201409678 /nfs/dbraw/zinc/40/96/78/1201409678.db2.gz IVGUSALYPFFLSV-QXCFHYIPSA-N 2 2 392.544 0.545 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001084357121 1201409682 /nfs/dbraw/zinc/40/96/82/1201409682.db2.gz IVGUSALYPFFLSV-QXCFHYIPSA-N 2 2 392.544 0.545 20 0 GCADLP Cc1nnsc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970143 1201512938 /nfs/dbraw/zinc/51/29/38/1201512938.db2.gz QFIKYJQEROYXAI-DMRZNYOFSA-N 2 2 379.530 0.988 20 0 GCADLP Cc1nnsc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970143 1201512942 /nfs/dbraw/zinc/51/29/42/1201512942.db2.gz QFIKYJQEROYXAI-DMRZNYOFSA-N 2 2 379.530 0.988 20 0 GCADLP Cc1nnsc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970143 1201512945 /nfs/dbraw/zinc/51/29/45/1201512945.db2.gz QFIKYJQEROYXAI-DMRZNYOFSA-N 2 2 379.530 0.988 20 0 GCADLP Cc1nnsc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970143 1201512949 /nfs/dbraw/zinc/51/29/49/1201512949.db2.gz QFIKYJQEROYXAI-DMRZNYOFSA-N 2 2 379.530 0.988 20 0 GCADLP NC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000732272102 1201531121 /nfs/dbraw/zinc/53/11/21/1201531121.db2.gz HIPSOHRRTPWDBT-UHFFFAOYSA-N 2 2 387.528 0.608 20 0 GCADLP NC(=O)C[N@H+]1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000732272102 1201531128 /nfs/dbraw/zinc/53/11/28/1201531128.db2.gz HIPSOHRRTPWDBT-UHFFFAOYSA-N 2 2 387.528 0.608 20 0 GCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)C2=O ZINC000732980713 1201571718 /nfs/dbraw/zinc/57/17/18/1201571718.db2.gz NBJOBZLSFZLZKD-OAHLLOKOSA-N 2 2 393.532 0.834 20 0 GCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)C2=O ZINC000732980713 1201571724 /nfs/dbraw/zinc/57/17/24/1201571724.db2.gz NBJOBZLSFZLZKD-OAHLLOKOSA-N 2 2 393.532 0.834 20 0 GCADLP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000823032806 1201588635 /nfs/dbraw/zinc/58/86/35/1201588635.db2.gz BWJTWQHCNVWNFP-CVEARBPZSA-N 2 2 376.505 0.812 20 0 GCADLP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000823032806 1201588641 /nfs/dbraw/zinc/58/86/41/1201588641.db2.gz BWJTWQHCNVWNFP-CVEARBPZSA-N 2 2 376.505 0.812 20 0 GCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCOCC1 ZINC001085232015 1201643939 /nfs/dbraw/zinc/64/39/39/1201643939.db2.gz GNIBQGDINLHFFN-KLHDSHLOSA-N 2 2 375.473 0.389 20 0 GCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCOCC1 ZINC001085232015 1201643940 /nfs/dbraw/zinc/64/39/40/1201643940.db2.gz GNIBQGDINLHFFN-KLHDSHLOSA-N 2 2 375.473 0.389 20 0 GCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242572 1201647591 /nfs/dbraw/zinc/64/75/91/1201647591.db2.gz XQJFINFFLGBYPM-MWQQHZPXSA-N 2 2 378.521 0.843 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(N(C)C)no2)O1 ZINC001085242428 1201647988 /nfs/dbraw/zinc/64/79/88/1201647988.db2.gz QVUAWMWVNMNVAV-KBUPBQIOSA-N 2 2 380.493 0.372 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(N(C)C)no2)O1 ZINC001085242428 1201647991 /nfs/dbraw/zinc/64/79/91/1201647991.db2.gz QVUAWMWVNMNVAV-KBUPBQIOSA-N 2 2 380.493 0.372 20 0 GCADLP CC(C)n1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242579 1201648030 /nfs/dbraw/zinc/64/80/30/1201648030.db2.gz XYASJGWWYVOQQY-KLHDSHLOSA-N 2 2 379.509 0.490 20 0 GCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000743978690 1201831787 /nfs/dbraw/zinc/83/17/87/1201831787.db2.gz NBWBJXNYWYVYHJ-QGZVFWFLSA-N 2 2 387.528 0.973 20 0 GCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000743978690 1201831793 /nfs/dbraw/zinc/83/17/93/1201831793.db2.gz NBWBJXNYWYVYHJ-QGZVFWFLSA-N 2 2 387.528 0.973 20 0 GCADLP CC(C)CN1C(=O)C(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744441947 1201843794 /nfs/dbraw/zinc/84/37/94/1201843794.db2.gz UVQXWUDYQFHHMI-UHFFFAOYSA-N 2 2 380.489 0.968 20 0 GCADLP [NH3+]CCCCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000746308289 1201906795 /nfs/dbraw/zinc/90/67/95/1201906795.db2.gz ZVSYMFPFOKZTIY-UHFFFAOYSA-N 2 2 383.518 0.169 20 0 GCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC001169071874 1201932072 /nfs/dbraw/zinc/93/20/72/1201932072.db2.gz GYHQDXWDZUKNLL-GFCCVEGCSA-N 2 2 377.426 0.201 20 0 GCADLP CC(=O)NC[C@H]1CN(c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c(F)c2)C(=O)O1 ZINC001169073405 1201932140 /nfs/dbraw/zinc/93/21/40/1201932140.db2.gz GZHDWNQUIIRFCI-DOMZBBRYSA-N 2 2 391.403 0.335 20 0 GCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCn1cc[nH+]c1 ZINC001169162972 1201933967 /nfs/dbraw/zinc/93/39/67/1201933967.db2.gz WAUPAKSBEAMNHR-HNNXBMFYSA-N 2 2 387.488 0.869 20 0 GCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001169167544 1201934444 /nfs/dbraw/zinc/93/44/44/1201934444.db2.gz JBDOYMXIMCLIJM-GJZGRUSLSA-N 2 2 376.505 0.676 20 0 GCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001169167544 1201934448 /nfs/dbraw/zinc/93/44/48/1201934448.db2.gz JBDOYMXIMCLIJM-GJZGRUSLSA-N 2 2 376.505 0.676 20 0 GCADLP Cc1[nH+]cn([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1CC[NH3+] ZINC001169168112 1201934576 /nfs/dbraw/zinc/93/45/76/1201934576.db2.gz MMVVPRDCDVDFCW-ZDUSSCGKSA-N 2 2 387.488 0.871 20 0 GCADLP Cc1[nH+]cn([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1CC[NH3+] ZINC001169168110 1201934606 /nfs/dbraw/zinc/93/46/06/1201934606.db2.gz MMVVPRDCDVDFCW-CYBMUJFWSA-N 2 2 387.488 0.871 20 0 GCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1[nH+]ccn1C ZINC001169194768 1201936060 /nfs/dbraw/zinc/93/60/60/1201936060.db2.gz DSYIQMMWUIWBLQ-AWEZNQCLSA-N 2 2 387.488 0.558 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC1 ZINC001169254289 1201941090 /nfs/dbraw/zinc/94/10/90/1201941090.db2.gz BPJHFSABGRZIKV-YTQUADARSA-N 2 2 375.517 0.971 20 0 GCADLP CC[NH+]1CCC([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC1 ZINC001169254289 1201941092 /nfs/dbraw/zinc/94/10/92/1201941092.db2.gz BPJHFSABGRZIKV-YTQUADARSA-N 2 2 375.517 0.971 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001109304927 1202018789 /nfs/dbraw/zinc/01/87/89/1202018789.db2.gz AVGCJKPPSRKRPP-XJBGLIRHSA-N 2 2 377.489 0.036 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001109304927 1202018792 /nfs/dbraw/zinc/01/87/92/1202018792.db2.gz AVGCJKPPSRKRPP-XJBGLIRHSA-N 2 2 377.489 0.036 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001109304927 1202018794 /nfs/dbraw/zinc/01/87/94/1202018794.db2.gz AVGCJKPPSRKRPP-XJBGLIRHSA-N 2 2 377.489 0.036 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001109304927 1202018795 /nfs/dbraw/zinc/01/87/95/1202018795.db2.gz AVGCJKPPSRKRPP-XJBGLIRHSA-N 2 2 377.489 0.036 20 0 GCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1)C1CCC1 ZINC001109411577 1202040447 /nfs/dbraw/zinc/04/04/47/1202040447.db2.gz ASJGZKHVZZIEOJ-BGTYHANMSA-N 2 2 378.517 0.345 20 0 GCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1)C1CCC1 ZINC001109411577 1202040450 /nfs/dbraw/zinc/04/04/50/1202040450.db2.gz ASJGZKHVZZIEOJ-BGTYHANMSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1)C1CCC1 ZINC001109411577 1202040452 /nfs/dbraw/zinc/04/04/52/1202040452.db2.gz ASJGZKHVZZIEOJ-BGTYHANMSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1)C1CCC1 ZINC001109411577 1202040456 /nfs/dbraw/zinc/04/04/56/1202040456.db2.gz ASJGZKHVZZIEOJ-BGTYHANMSA-N 2 2 378.517 0.345 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CCO1 ZINC000769086743 1202045497 /nfs/dbraw/zinc/04/54/97/1202045497.db2.gz PWCSLVYMJFRLFX-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CCO1 ZINC000769086743 1202045501 /nfs/dbraw/zinc/04/55/01/1202045501.db2.gz PWCSLVYMJFRLFX-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CCO1 ZINC000769086743 1202045502 /nfs/dbraw/zinc/04/55/02/1202045502.db2.gz PWCSLVYMJFRLFX-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CCO1 ZINC000769086743 1202045505 /nfs/dbraw/zinc/04/55/05/1202045505.db2.gz PWCSLVYMJFRLFX-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000769495776 1202059373 /nfs/dbraw/zinc/05/93/73/1202059373.db2.gz UIZXYSOSQQKSTR-HZPDHXFCSA-N 2 2 384.521 0.765 20 0 GCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538581 1202076073 /nfs/dbraw/zinc/07/60/73/1202076073.db2.gz ISMOXIWDWBIUSG-JCUSOQDJSA-N 2 2 376.501 0.096 20 0 GCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538581 1202076076 /nfs/dbraw/zinc/07/60/76/1202076076.db2.gz ISMOXIWDWBIUSG-JCUSOQDJSA-N 2 2 376.501 0.096 20 0 GCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538581 1202076078 /nfs/dbraw/zinc/07/60/78/1202076078.db2.gz ISMOXIWDWBIUSG-JCUSOQDJSA-N 2 2 376.501 0.096 20 0 GCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538581 1202076080 /nfs/dbraw/zinc/07/60/80/1202076080.db2.gz ISMOXIWDWBIUSG-JCUSOQDJSA-N 2 2 376.501 0.096 20 0 GCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538696 1202076134 /nfs/dbraw/zinc/07/61/34/1202076134.db2.gz OLCFIXBXDORUJK-JCUSOQDJSA-N 2 2 376.501 0.097 20 0 GCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538696 1202076136 /nfs/dbraw/zinc/07/61/36/1202076136.db2.gz OLCFIXBXDORUJK-JCUSOQDJSA-N 2 2 376.501 0.097 20 0 GCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538696 1202076138 /nfs/dbraw/zinc/07/61/38/1202076138.db2.gz OLCFIXBXDORUJK-JCUSOQDJSA-N 2 2 376.501 0.097 20 0 GCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538696 1202076140 /nfs/dbraw/zinc/07/61/40/1202076140.db2.gz OLCFIXBXDORUJK-JCUSOQDJSA-N 2 2 376.501 0.097 20 0 GCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565699 1202081516 /nfs/dbraw/zinc/08/15/16/1202081516.db2.gz YODJTHDTVMFSEU-ILXRZTDVSA-N 2 2 379.505 0.428 20 0 GCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565699 1202081518 /nfs/dbraw/zinc/08/15/18/1202081518.db2.gz YODJTHDTVMFSEU-ILXRZTDVSA-N 2 2 379.505 0.428 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000770273048 1202091077 /nfs/dbraw/zinc/09/10/77/1202091077.db2.gz XAOOMXKLCFNTCB-CQSZACIVSA-N 2 2 375.473 0.766 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000770273048 1202091079 /nfs/dbraw/zinc/09/10/79/1202091079.db2.gz XAOOMXKLCFNTCB-CQSZACIVSA-N 2 2 375.473 0.766 20 0 GCADLP C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000770303006 1202093434 /nfs/dbraw/zinc/09/34/34/1202093434.db2.gz MJHKUHGEASHBMF-QAPCUYQASA-N 2 2 389.500 0.212 20 0 GCADLP C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770303006 1202093436 /nfs/dbraw/zinc/09/34/36/1202093436.db2.gz MJHKUHGEASHBMF-QAPCUYQASA-N 2 2 389.500 0.212 20 0 GCADLP C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)CCO1 ZINC001109651088 1202097892 /nfs/dbraw/zinc/09/78/92/1202097892.db2.gz IJHLWHGHGQLONC-YVSFHVDLSA-N 2 2 378.517 0.297 20 0 GCADLP C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)CCO1 ZINC001109651088 1202097893 /nfs/dbraw/zinc/09/78/93/1202097893.db2.gz IJHLWHGHGQLONC-YVSFHVDLSA-N 2 2 378.517 0.297 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)CC1 ZINC001109650085 1202097953 /nfs/dbraw/zinc/09/79/53/1202097953.db2.gz RFJDDFVEYGXRSS-ILXRZTDVSA-N 2 2 377.489 0.038 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)CC1 ZINC001109650085 1202097955 /nfs/dbraw/zinc/09/79/55/1202097955.db2.gz RFJDDFVEYGXRSS-ILXRZTDVSA-N 2 2 377.489 0.038 20 0 GCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001109669199 1202102973 /nfs/dbraw/zinc/10/29/73/1202102973.db2.gz RSHASEVVRZTXRP-RANZSIQMSA-N 2 2 378.517 0.202 20 0 GCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001109669199 1202102974 /nfs/dbraw/zinc/10/29/74/1202102974.db2.gz RSHASEVVRZTXRP-RANZSIQMSA-N 2 2 378.517 0.202 20 0 GCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714645 1202110491 /nfs/dbraw/zinc/11/04/91/1202110491.db2.gz RHARBQGHVGMNEQ-QXSJWSMHSA-N 2 2 381.521 0.674 20 0 GCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714645 1202110493 /nfs/dbraw/zinc/11/04/93/1202110493.db2.gz RHARBQGHVGMNEQ-QXSJWSMHSA-N 2 2 381.521 0.674 20 0 GCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1)CC(C)(C)C ZINC001109724232 1202110524 /nfs/dbraw/zinc/11/05/24/1202110524.db2.gz IKKDZOJXFGMQPU-IKGGRYGDSA-N 2 2 380.533 0.545 20 0 GCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1)CC(C)(C)C ZINC001109724232 1202110526 /nfs/dbraw/zinc/11/05/26/1202110526.db2.gz IKKDZOJXFGMQPU-IKGGRYGDSA-N 2 2 380.533 0.545 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1)CC(C)(C)C ZINC001109724232 1202110527 /nfs/dbraw/zinc/11/05/27/1202110527.db2.gz IKKDZOJXFGMQPU-IKGGRYGDSA-N 2 2 380.533 0.545 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1)CC(C)(C)C ZINC001109724232 1202110529 /nfs/dbraw/zinc/11/05/29/1202110529.db2.gz IKKDZOJXFGMQPU-IKGGRYGDSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109734075 1202114745 /nfs/dbraw/zinc/11/47/45/1202114745.db2.gz LYKOTEJKORLSFT-BDXSIMOUSA-N 2 2 380.533 0.733 20 0 GCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109734075 1202114747 /nfs/dbraw/zinc/11/47/47/1202114747.db2.gz LYKOTEJKORLSFT-BDXSIMOUSA-N 2 2 380.533 0.733 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798706 1202124292 /nfs/dbraw/zinc/12/42/92/1202124292.db2.gz OJHQTMMZQFDAMJ-SQNIBIBYSA-N 2 2 380.533 0.593 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798706 1202124294 /nfs/dbraw/zinc/12/42/94/1202124294.db2.gz OJHQTMMZQFDAMJ-SQNIBIBYSA-N 2 2 380.533 0.593 20 0 GCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822050 1202130866 /nfs/dbraw/zinc/13/08/66/1202130866.db2.gz FEKAHKPZBZPHRK-IKGGRYGDSA-N 2 2 376.505 0.258 20 0 GCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822050 1202130868 /nfs/dbraw/zinc/13/08/68/1202130868.db2.gz FEKAHKPZBZPHRK-IKGGRYGDSA-N 2 2 376.505 0.258 20 0 GCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001109846499 1202134228 /nfs/dbraw/zinc/13/42/28/1202134228.db2.gz MRHKRUZNFNZQNO-ATGSNQNLSA-N 2 2 376.461 0.277 20 0 GCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001109846499 1202134231 /nfs/dbraw/zinc/13/42/31/1202134231.db2.gz MRHKRUZNFNZQNO-ATGSNQNLSA-N 2 2 376.461 0.277 20 0 GCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CC(F)(F)F ZINC001109847720 1202135172 /nfs/dbraw/zinc/13/51/72/1202135172.db2.gz DLLTVCZIPBTQBB-KBXIAJHMSA-N 2 2 379.423 0.744 20 0 GCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CC(F)(F)F ZINC001109847720 1202135175 /nfs/dbraw/zinc/13/51/75/1202135175.db2.gz DLLTVCZIPBTQBB-KBXIAJHMSA-N 2 2 379.423 0.744 20 0 GCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)COCCOCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000771392754 1202139460 /nfs/dbraw/zinc/13/94/60/1202139460.db2.gz AIFNHGLSSGPWDB-TVFCKZIOSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)COCCOCC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000771392754 1202139461 /nfs/dbraw/zinc/13/94/61/1202139461.db2.gz AIFNHGLSSGPWDB-TVFCKZIOSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)COCCOCC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000771392754 1202139462 /nfs/dbraw/zinc/13/94/62/1202139462.db2.gz AIFNHGLSSGPWDB-TVFCKZIOSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COCCOCC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000771392754 1202139464 /nfs/dbraw/zinc/13/94/64/1202139464.db2.gz AIFNHGLSSGPWDB-TVFCKZIOSA-N 2 2 398.548 0.122 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878211 1202142910 /nfs/dbraw/zinc/14/29/10/1202142910.db2.gz MGNYTKFYELTGNO-WCVJEAGWSA-N 2 2 379.505 0.284 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878211 1202142912 /nfs/dbraw/zinc/14/29/12/1202142912.db2.gz MGNYTKFYELTGNO-WCVJEAGWSA-N 2 2 379.505 0.284 20 0 GCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902749 1202146881 /nfs/dbraw/zinc/14/68/81/1202146881.db2.gz YXNWLHUUJLJYEA-NJAFHUGGSA-N 2 2 380.533 0.735 20 0 GCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902749 1202146884 /nfs/dbraw/zinc/14/68/84/1202146884.db2.gz YXNWLHUUJLJYEA-NJAFHUGGSA-N 2 2 380.533 0.735 20 0 GCADLP CN(C(=O)NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771776183 1202158742 /nfs/dbraw/zinc/15/87/42/1202158742.db2.gz DDOOAUQSEJQGSD-QZTJIDSGSA-N 2 2 396.532 0.718 20 0 GCADLP CN(C(=O)NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771776183 1202158746 /nfs/dbraw/zinc/15/87/46/1202158746.db2.gz DDOOAUQSEJQGSD-QZTJIDSGSA-N 2 2 396.532 0.718 20 0 GCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110019097 1202176476 /nfs/dbraw/zinc/17/64/76/1202176476.db2.gz FFDUZVDISLIZRC-MHORFTMASA-N 2 2 380.533 0.593 20 0 GCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110019097 1202176478 /nfs/dbraw/zinc/17/64/78/1202176478.db2.gz FFDUZVDISLIZRC-MHORFTMASA-N 2 2 380.533 0.593 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110019097 1202176482 /nfs/dbraw/zinc/17/64/82/1202176482.db2.gz FFDUZVDISLIZRC-MHORFTMASA-N 2 2 380.533 0.593 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110019097 1202176484 /nfs/dbraw/zinc/17/64/84/1202176484.db2.gz FFDUZVDISLIZRC-MHORFTMASA-N 2 2 380.533 0.593 20 0 GCADLP C[C@H](Cc1ccco1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787945371 1205408982 /nfs/dbraw/zinc/40/89/82/1205408982.db2.gz ZTBYJMYPAJJWGR-NVXWUHKLSA-N 2 2 376.501 0.954 20 0 GCADLP C[C@H](Cc1ccco1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787945371 1205408983 /nfs/dbraw/zinc/40/89/83/1205408983.db2.gz ZTBYJMYPAJJWGR-NVXWUHKLSA-N 2 2 376.501 0.954 20 0 GCADLP CN(C(=O)C(=O)NCCSC(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000788524204 1205424612 /nfs/dbraw/zinc/42/46/12/1205424612.db2.gz CURSZKNOWGXUDH-ZDUSSCGKSA-N 2 2 396.479 0.983 20 0 GCADLP CN(C(=O)C(=O)NCCSC(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000788524204 1205424614 /nfs/dbraw/zinc/42/46/14/1205424614.db2.gz CURSZKNOWGXUDH-ZDUSSCGKSA-N 2 2 396.479 0.983 20 0 GCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788648635 1205426439 /nfs/dbraw/zinc/42/64/39/1205426439.db2.gz ZJWZGYOLYKTFFY-WBVHZDCISA-N 2 2 396.532 0.765 20 0 GCADLP O=C(C1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1)N1CCOCC1 ZINC000790365251 1205463291 /nfs/dbraw/zinc/46/32/91/1205463291.db2.gz FJGVLGNISHTIFW-HXUWFJFHSA-N 2 2 392.500 0.431 20 0 GCADLP O=C1O[C@@]2(CN1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790371177 1205463756 /nfs/dbraw/zinc/46/37/56/1205463756.db2.gz VJOIHPDRCURINO-HXUWFJFHSA-N 3 2 378.517 0.905 20 0 GCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000790507880 1205466771 /nfs/dbraw/zinc/46/67/71/1205466771.db2.gz GDGGESZXFIGAMQ-MRXNPFEDSA-N 2 2 388.578 0.915 20 0 GCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000790507880 1205466772 /nfs/dbraw/zinc/46/67/72/1205466772.db2.gz GDGGESZXFIGAMQ-MRXNPFEDSA-N 2 2 388.578 0.915 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[NH+]1CCCCC1 ZINC000793699100 1205504303 /nfs/dbraw/zinc/50/43/03/1205504303.db2.gz LTCCEUUFRRYBLW-KRWDZBQOSA-N 3 2 393.576 0.652 20 0 GCADLP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000793738499 1205505627 /nfs/dbraw/zinc/50/56/27/1205505627.db2.gz RZMZCKPBTCRSII-QGZVFWFLSA-N 2 2 380.533 0.689 20 0 GCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793865348 1205508123 /nfs/dbraw/zinc/50/81/23/1205508123.db2.gz KUFNGDDALGEFOY-CVEARBPZSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793865348 1205508125 /nfs/dbraw/zinc/50/81/25/1205508125.db2.gz KUFNGDDALGEFOY-CVEARBPZSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793865348 1205508127 /nfs/dbraw/zinc/50/81/27/1205508127.db2.gz KUFNGDDALGEFOY-CVEARBPZSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793865348 1205508129 /nfs/dbraw/zinc/50/81/29/1205508129.db2.gz KUFNGDDALGEFOY-CVEARBPZSA-N 2 2 392.525 0.202 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110102150 1205513726 /nfs/dbraw/zinc/51/37/26/1205513726.db2.gz VEYLXNULKSZGFR-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110102150 1205513728 /nfs/dbraw/zinc/51/37/28/1205513728.db2.gz VEYLXNULKSZGFR-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CCCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110102150 1205513729 /nfs/dbraw/zinc/51/37/29/1205513729.db2.gz VEYLXNULKSZGFR-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CCCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110102150 1205513731 /nfs/dbraw/zinc/51/37/31/1205513731.db2.gz VEYLXNULKSZGFR-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129897642 1205524395 /nfs/dbraw/zinc/52/43/95/1205524395.db2.gz DZXCGWLAYRYLHT-AHCXZYCDSA-N 2 2 387.488 0.962 20 0 GCADLP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129897642 1205524396 /nfs/dbraw/zinc/52/43/96/1205524396.db2.gz DZXCGWLAYRYLHT-AHCXZYCDSA-N 2 2 387.488 0.962 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)CC[N@@H+]1C ZINC001130209933 1205536576 /nfs/dbraw/zinc/53/65/76/1205536576.db2.gz RDCNGGDOEVQTHA-XQLPTFJDSA-N 2 2 382.484 0.583 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)CC[N@H+]1C ZINC001130209933 1205536579 /nfs/dbraw/zinc/53/65/79/1205536579.db2.gz RDCNGGDOEVQTHA-XQLPTFJDSA-N 2 2 382.484 0.583 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CCCO)CC3)C2)CC1 ZINC000806209769 1205551328 /nfs/dbraw/zinc/55/13/28/1205551328.db2.gz DIGWRWLFZUFBRM-KRWDZBQOSA-N 2 2 380.533 0.282 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CCCO)CC3)C2)CC1 ZINC000806209769 1205551329 /nfs/dbraw/zinc/55/13/29/1205551329.db2.gz DIGWRWLFZUFBRM-KRWDZBQOSA-N 2 2 380.533 0.282 20 0 GCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)[nH+]c12 ZINC000806537730 1205558333 /nfs/dbraw/zinc/55/83/33/1205558333.db2.gz VCZRVFVZHNCOQT-IAGOWNOFSA-N 2 2 385.468 0.281 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CCO1 ZINC000806665585 1205563636 /nfs/dbraw/zinc/56/36/36/1205563636.db2.gz AFBHXNGGWRPFOW-MGNMYUMUSA-N 2 2 381.521 0.090 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CCO1 ZINC000806665585 1205563639 /nfs/dbraw/zinc/56/36/39/1205563639.db2.gz AFBHXNGGWRPFOW-MGNMYUMUSA-N 2 2 381.521 0.090 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCO1 ZINC000806665585 1205563641 /nfs/dbraw/zinc/56/36/41/1205563641.db2.gz AFBHXNGGWRPFOW-MGNMYUMUSA-N 2 2 381.521 0.090 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCO1 ZINC000806665585 1205563643 /nfs/dbraw/zinc/56/36/43/1205563643.db2.gz AFBHXNGGWRPFOW-MGNMYUMUSA-N 2 2 381.521 0.090 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)CC1 ZINC000806842939 1205567578 /nfs/dbraw/zinc/56/75/78/1205567578.db2.gz AZBPQYZQCCMRBR-TZMCWYRMSA-N 2 2 376.423 0.824 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)CC1 ZINC000806842939 1205567580 /nfs/dbraw/zinc/56/75/80/1205567580.db2.gz AZBPQYZQCCMRBR-TZMCWYRMSA-N 2 2 376.423 0.824 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103068 1205595269 /nfs/dbraw/zinc/59/52/69/1205595269.db2.gz CHAOAQUGUCCIBI-ATGSNQNLSA-N 2 2 376.461 0.147 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103068 1205595271 /nfs/dbraw/zinc/59/52/71/1205595271.db2.gz CHAOAQUGUCCIBI-ATGSNQNLSA-N 2 2 376.461 0.147 20 0 GCADLP C[NH+]1CCC(ONC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000808024139 1205597120 /nfs/dbraw/zinc/59/71/20/1205597120.db2.gz BAYMJMCAFBGGAC-UHFFFAOYSA-N 2 2 375.473 0.652 20 0 GCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103132 1205607979 /nfs/dbraw/zinc/60/79/79/1205607979.db2.gz GBNMBOMKVCTTFF-WCVJEAGWSA-N 2 2 379.505 0.426 20 0 GCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103132 1205607980 /nfs/dbraw/zinc/60/79/80/1205607980.db2.gz GBNMBOMKVCTTFF-WCVJEAGWSA-N 2 2 379.505 0.426 20 0 GCADLP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001131517478 1205615315 /nfs/dbraw/zinc/61/53/15/1205615315.db2.gz TTZLFAGIZDOPBB-ADAWSYLGSA-N 2 2 375.473 0.245 20 0 GCADLP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001131517478 1205615316 /nfs/dbraw/zinc/61/53/16/1205615316.db2.gz TTZLFAGIZDOPBB-ADAWSYLGSA-N 2 2 375.473 0.245 20 0 GCADLP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001131517060 1205615363 /nfs/dbraw/zinc/61/53/63/1205615363.db2.gz IKPYYUWFCLOJOU-NNFUDEMPSA-N 2 2 389.500 0.635 20 0 GCADLP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001131517060 1205615364 /nfs/dbraw/zinc/61/53/64/1205615364.db2.gz IKPYYUWFCLOJOU-NNFUDEMPSA-N 2 2 389.500 0.635 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CCO1 ZINC000747586381 1205632694 /nfs/dbraw/zinc/63/26/94/1205632694.db2.gz XPWOMRKYYJNFPN-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CCO1 ZINC000747586381 1205632696 /nfs/dbraw/zinc/63/26/96/1205632696.db2.gz XPWOMRKYYJNFPN-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CCO1 ZINC000747586381 1205632698 /nfs/dbraw/zinc/63/26/98/1205632698.db2.gz XPWOMRKYYJNFPN-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CCO1 ZINC000747586381 1205632700 /nfs/dbraw/zinc/63/27/00/1205632700.db2.gz XPWOMRKYYJNFPN-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001110103216 1205633077 /nfs/dbraw/zinc/63/30/77/1205633077.db2.gz JYFVLBSEYANRJR-PMPSAXMXSA-N 2 2 380.514 0.738 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001110103216 1205633078 /nfs/dbraw/zinc/63/30/78/1205633078.db2.gz JYFVLBSEYANRJR-PMPSAXMXSA-N 2 2 380.514 0.738 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103325 1205666576 /nfs/dbraw/zinc/66/65/76/1205666576.db2.gz PBPQBPDPLFUOOE-ILXRZTDVSA-N 2 2 376.461 0.149 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103325 1205666577 /nfs/dbraw/zinc/66/65/77/1205666577.db2.gz PBPQBPDPLFUOOE-ILXRZTDVSA-N 2 2 376.461 0.149 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+]([C@@H]1CCN(C3CC3)C(=O)C1)C2 ZINC001172013507 1205711222 /nfs/dbraw/zinc/71/12/22/1205711222.db2.gz JCCUPMOKRXQELZ-QGZVFWFLSA-N 2 2 382.468 0.847 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+]([C@@H]1CCN(C3CC3)C(=O)C1)C2 ZINC001172013507 1205711223 /nfs/dbraw/zinc/71/12/23/1205711223.db2.gz JCCUPMOKRXQELZ-QGZVFWFLSA-N 2 2 382.468 0.847 20 0 GCADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)CC1 ZINC001172252629 1205715432 /nfs/dbraw/zinc/71/54/32/1205715432.db2.gz UFXXAUAGCHXDSF-NRFANRHFSA-N 2 2 394.560 0.890 20 0 GCADLP COCCC[NH+]1CCC([N@H+]2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)CC1 ZINC001172252629 1205715434 /nfs/dbraw/zinc/71/54/34/1205715434.db2.gz UFXXAUAGCHXDSF-NRFANRHFSA-N 2 2 394.560 0.890 20 0 GCADLP Nc1cn(-c2ccc(C[NH+]3CC(O)C3)cc2)ccc1=[NH+]CCN1CCOCC1 ZINC001212666471 1205716170 /nfs/dbraw/zinc/71/61/70/1205716170.db2.gz QKWIQJHXPWOGRR-UHFFFAOYSA-N 2 2 383.496 0.469 20 0 GCADLP COC(=O)[C@@H]1CCC[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001172612062 1205716437 /nfs/dbraw/zinc/71/64/37/1205716437.db2.gz RBBWGTKBTQESGV-VRKREXBASA-N 2 2 391.472 0.134 20 0 GCADLP CC(C)(C)OC(=O)C[NH+]1CCC(n2cncc2CCNC(=O)CC[NH3+])CC1 ZINC001172887139 1205717639 /nfs/dbraw/zinc/71/76/39/1205717639.db2.gz LNYBFWACXPELSH-UHFFFAOYSA-N 2 2 379.505 0.869 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001176385262 1205746624 /nfs/dbraw/zinc/74/66/24/1205746624.db2.gz LJAFJTWUXWLHOU-LJQANCHMSA-N 2 2 384.484 0.880 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001176385262 1205746627 /nfs/dbraw/zinc/74/66/27/1205746627.db2.gz LJAFJTWUXWLHOU-LJQANCHMSA-N 2 2 384.484 0.880 20 0 GCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cn1 ZINC001176880463 1205757545 /nfs/dbraw/zinc/75/75/45/1205757545.db2.gz VJZKTLRZAKHJHV-UHFFFAOYSA-N 2 2 385.534 0.011 20 0 GCADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177093218 1205762299 /nfs/dbraw/zinc/76/22/99/1205762299.db2.gz VDYDSIZQMLALTI-ZDUSSCGKSA-N 2 2 383.449 0.196 20 0 GCADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177093218 1205762300 /nfs/dbraw/zinc/76/23/00/1205762300.db2.gz VDYDSIZQMLALTI-ZDUSSCGKSA-N 2 2 383.449 0.196 20 0 GCADLP CN(CC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)c1cccc[nH+]1 ZINC001177410543 1205769658 /nfs/dbraw/zinc/76/96/58/1205769658.db2.gz UFLAAEMDPLTOBA-YESZJQIVSA-N 2 2 382.468 0.966 20 0 GCADLP CN(C)C(=O)c1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC001177566400 1205772015 /nfs/dbraw/zinc/77/20/15/1205772015.db2.gz WFCXQRKRERYNKG-UHFFFAOYSA-N 2 2 384.484 0.940 20 0 GCADLP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@H]1CCc2[nH+]ccn2C1 ZINC001178121985 1205783081 /nfs/dbraw/zinc/78/30/81/1205783081.db2.gz OFUYEIIISNVRQI-AWEZNQCLSA-N 2 2 389.481 0.392 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1=O ZINC001178693309 1205792185 /nfs/dbraw/zinc/79/21/85/1205792185.db2.gz ZGMZNFAMUXMFRW-QGZVFWFLSA-N 3 2 379.549 0.168 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1=O ZINC001178693309 1205792187 /nfs/dbraw/zinc/79/21/87/1205792187.db2.gz ZGMZNFAMUXMFRW-QGZVFWFLSA-N 3 2 379.549 0.168 20 0 GCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001178693309 1205792189 /nfs/dbraw/zinc/79/21/89/1205792189.db2.gz ZGMZNFAMUXMFRW-QGZVFWFLSA-N 3 2 379.549 0.168 20 0 GCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC001178693309 1205792191 /nfs/dbraw/zinc/79/21/91/1205792191.db2.gz ZGMZNFAMUXMFRW-QGZVFWFLSA-N 3 2 379.549 0.168 20 0 GCADLP C[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001178950386 1205797862 /nfs/dbraw/zinc/79/78/62/1205797862.db2.gz QIFLVHXXUBBTAO-WBVHZDCISA-N 2 2 385.516 0.879 20 0 GCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179012532 1205799703 /nfs/dbraw/zinc/79/97/03/1205799703.db2.gz NMTXTIQSLCAFRM-GOSISDBHSA-N 2 2 394.516 0.025 20 0 GCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179012532 1205799704 /nfs/dbraw/zinc/79/97/04/1205799704.db2.gz NMTXTIQSLCAFRM-GOSISDBHSA-N 2 2 394.516 0.025 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 ZINC001180759491 1205831174 /nfs/dbraw/zinc/83/11/74/1205831174.db2.gz PNWIWVDTYIZTEM-IAGOWNOFSA-N 2 2 396.532 0.907 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 ZINC001180759491 1205831176 /nfs/dbraw/zinc/83/11/76/1205831176.db2.gz PNWIWVDTYIZTEM-IAGOWNOFSA-N 2 2 396.532 0.907 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 ZINC001180759632 1205831385 /nfs/dbraw/zinc/83/13/85/1205831385.db2.gz PNWIWVDTYIZTEM-IRXDYDNUSA-N 2 2 396.532 0.907 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 ZINC001180759632 1205831387 /nfs/dbraw/zinc/83/13/87/1205831387.db2.gz PNWIWVDTYIZTEM-IRXDYDNUSA-N 2 2 396.532 0.907 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)C1 ZINC001180760196 1205831454 /nfs/dbraw/zinc/83/14/54/1205831454.db2.gz MKVHOHZPCNUYNS-AWEZNQCLSA-N 2 2 397.439 0.247 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)C1 ZINC001180760196 1205831456 /nfs/dbraw/zinc/83/14/56/1205831456.db2.gz MKVHOHZPCNUYNS-AWEZNQCLSA-N 2 2 397.439 0.247 20 0 GCADLP COC1CC(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC001181221838 1205840799 /nfs/dbraw/zinc/84/07/99/1205840799.db2.gz BSEAQKWVAVYSLM-GTPINHCMSA-N 2 2 375.517 0.848 20 0 GCADLP C[NH+]1CCC(C)(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1 ZINC001181985053 1205852701 /nfs/dbraw/zinc/85/27/01/1205852701.db2.gz CCZQXOJDDVVLHF-UHFFFAOYSA-N 2 2 384.484 0.952 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1(C)CC[NH+](C)CC1 ZINC001181988014 1205852806 /nfs/dbraw/zinc/85/28/06/1205852806.db2.gz ZNVUNMHXXGJNMN-JXFKEZNVSA-N 2 2 381.517 0.973 20 0 GCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1(C)CC[NH+](C)CC1 ZINC001181988018 1205853046 /nfs/dbraw/zinc/85/30/46/1205853046.db2.gz ZNVUNMHXXGJNMN-OXQOHEQNSA-N 2 2 381.517 0.973 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001181986293 1205853069 /nfs/dbraw/zinc/85/30/69/1205853069.db2.gz ONSMDJUFKUZLNU-UHFFFAOYSA-N 3 2 393.576 0.415 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001181986293 1205853070 /nfs/dbraw/zinc/85/30/70/1205853070.db2.gz ONSMDJUFKUZLNU-UHFFFAOYSA-N 3 2 393.576 0.415 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001182297598 1205863316 /nfs/dbraw/zinc/86/33/16/1205863316.db2.gz NNUXMYDCERMEIM-AWEZNQCLSA-N 3 2 384.525 0.779 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001182297598 1205863318 /nfs/dbraw/zinc/86/33/18/1205863318.db2.gz NNUXMYDCERMEIM-AWEZNQCLSA-N 3 2 384.525 0.779 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001182297600 1205863356 /nfs/dbraw/zinc/86/33/56/1205863356.db2.gz NNUXMYDCERMEIM-CQSZACIVSA-N 3 2 384.525 0.779 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001182297600 1205863358 /nfs/dbraw/zinc/86/33/58/1205863358.db2.gz NNUXMYDCERMEIM-CQSZACIVSA-N 3 2 384.525 0.779 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[C@@H]3C(F)(F)F)CC2)C1=O ZINC001182312016 1205864540 /nfs/dbraw/zinc/86/45/40/1205864540.db2.gz AMOWXMUDNCQCLU-KBPBESRZSA-N 2 2 390.450 0.882 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[C@@H]3C(F)(F)F)CC2)C1=O ZINC001182312016 1205864543 /nfs/dbraw/zinc/86/45/43/1205864543.db2.gz AMOWXMUDNCQCLU-KBPBESRZSA-N 2 2 390.450 0.882 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[C@@H]3C(F)(F)F)CC2)C1=O ZINC001182312021 1205864597 /nfs/dbraw/zinc/86/45/97/1205864597.db2.gz AMOWXMUDNCQCLU-KGLIPLIRSA-N 2 2 390.450 0.882 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[C@@H]3C(F)(F)F)CC2)C1=O ZINC001182312021 1205864599 /nfs/dbraw/zinc/86/45/99/1205864599.db2.gz AMOWXMUDNCQCLU-KGLIPLIRSA-N 2 2 390.450 0.882 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[C@H]3C(F)(F)F)CC2)C1=O ZINC001182312025 1205864678 /nfs/dbraw/zinc/86/46/78/1205864678.db2.gz AMOWXMUDNCQCLU-ZIAGYGMSSA-N 2 2 390.450 0.882 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[C@H]3C(F)(F)F)CC2)C1=O ZINC001182312025 1205864680 /nfs/dbraw/zinc/86/46/80/1205864680.db2.gz AMOWXMUDNCQCLU-ZIAGYGMSSA-N 2 2 390.450 0.882 20 0 GCADLP CC(=O)SC[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001183130273 1205886973 /nfs/dbraw/zinc/88/69/73/1205886973.db2.gz LEAVZFXWFKTWKD-OAHLLOKOSA-N 2 2 398.573 0.599 20 0 GCADLP CC(=O)SC[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001183130273 1205886976 /nfs/dbraw/zinc/88/69/76/1205886976.db2.gz LEAVZFXWFKTWKD-OAHLLOKOSA-N 2 2 398.573 0.599 20 0 GCADLP O=C(N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)C12CCC[NH+]1CCC2 ZINC001183557082 1205894866 /nfs/dbraw/zinc/89/48/66/1205894866.db2.gz MXTAQNNQOQBLQW-UHFFFAOYSA-N 2 2 382.468 0.849 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1=O ZINC001183557127 1205894926 /nfs/dbraw/zinc/89/49/26/1205894926.db2.gz OCTVNGBMKQVACA-UHFFFAOYSA-N 3 2 391.560 0.312 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1=O ZINC001183557127 1205894928 /nfs/dbraw/zinc/89/49/28/1205894928.db2.gz OCTVNGBMKQVACA-UHFFFAOYSA-N 3 2 391.560 0.312 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[C@@H]2NCN[C@H]21 ZINC001184404858 1205909107 /nfs/dbraw/zinc/90/91/07/1205909107.db2.gz MTGMWFUZSDFCPQ-XBVQOTNRSA-N 2 2 378.908 0.071 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[C@@H]2NCN[C@H]21 ZINC001184404858 1205909108 /nfs/dbraw/zinc/90/91/08/1205909108.db2.gz MTGMWFUZSDFCPQ-XBVQOTNRSA-N 2 2 378.908 0.071 20 0 GCADLP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)C[N@@H+]2CC[C@H](C(=O)OC)C2)c1 ZINC001186116209 1205935377 /nfs/dbraw/zinc/93/53/77/1205935377.db2.gz UZFJPDVNBGDZNK-AWEZNQCLSA-N 2 2 390.440 0.893 20 0 GCADLP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)C[N@H+]2CC[C@H](C(=O)OC)C2)c1 ZINC001186116209 1205935378 /nfs/dbraw/zinc/93/53/78/1205935378.db2.gz UZFJPDVNBGDZNK-AWEZNQCLSA-N 2 2 390.440 0.893 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)C1 ZINC001186107785 1205935401 /nfs/dbraw/zinc/93/54/01/1205935401.db2.gz SOSXXPMQCIXIBO-INIZCTEOSA-N 2 2 390.484 0.234 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)C1 ZINC001186107785 1205935402 /nfs/dbraw/zinc/93/54/02/1205935402.db2.gz SOSXXPMQCIXIBO-INIZCTEOSA-N 2 2 390.484 0.234 20 0 GCADLP COCc1oncc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001188321734 1205979194 /nfs/dbraw/zinc/97/91/94/1205979194.db2.gz IIGISSCTNJQCAC-UHFFFAOYSA-N 2 2 393.488 0.131 20 0 GCADLP COCc1oncc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001188321734 1205979196 /nfs/dbraw/zinc/97/91/96/1205979196.db2.gz IIGISSCTNJQCAC-UHFFFAOYSA-N 2 2 393.488 0.131 20 0 GCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c(C)[nH]1 ZINC001188998168 1205994145 /nfs/dbraw/zinc/99/41/45/1205994145.db2.gz PLKHWSHHQXDLBD-UHFFFAOYSA-N 2 2 375.517 0.942 20 0 GCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c(C)[nH]1 ZINC001188998168 1205994146 /nfs/dbraw/zinc/99/41/46/1205994146.db2.gz PLKHWSHHQXDLBD-UHFFFAOYSA-N 2 2 375.517 0.942 20 0 GCADLP COCc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)o1 ZINC001189258345 1206001897 /nfs/dbraw/zinc/00/18/97/1206001897.db2.gz YYXFSEIJHVDQRF-UHFFFAOYSA-N 2 2 392.500 0.736 20 0 GCADLP COCc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)o1 ZINC001189258345 1206001901 /nfs/dbraw/zinc/00/19/01/1206001901.db2.gz YYXFSEIJHVDQRF-UHFFFAOYSA-N 2 2 392.500 0.736 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Nc3nccs3)CC2)C1=O ZINC001189360645 1206003945 /nfs/dbraw/zinc/00/39/45/1206003945.db2.gz LTJLIQBTXLLWRO-UHFFFAOYSA-N 2 2 380.518 0.845 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Nc3nccs3)CC2)C1=O ZINC001189360645 1206003949 /nfs/dbraw/zinc/00/39/49/1206003949.db2.gz LTJLIQBTXLLWRO-UHFFFAOYSA-N 2 2 380.518 0.845 20 0 GCADLP CCc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)no1 ZINC001190001372 1206023813 /nfs/dbraw/zinc/02/38/13/1206023813.db2.gz UZXLTZLHNHBJMW-UHFFFAOYSA-N 2 2 377.489 0.547 20 0 GCADLP CCc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)no1 ZINC001190001372 1206023816 /nfs/dbraw/zinc/02/38/16/1206023816.db2.gz UZXLTZLHNHBJMW-UHFFFAOYSA-N 2 2 377.489 0.547 20 0 GCADLP Cc1cc[nH]c(=O)c1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001190972122 1206051545 /nfs/dbraw/zinc/05/15/45/1206051545.db2.gz VFDZYFGGUVFNBH-UHFFFAOYSA-N 2 2 389.500 0.406 20 0 GCADLP Cc1cc[nH]c(=O)c1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001190972122 1206051548 /nfs/dbraw/zinc/05/15/48/1206051548.db2.gz VFDZYFGGUVFNBH-UHFFFAOYSA-N 2 2 389.500 0.406 20 0 GCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001164697788 719861057 /nfs/dbraw/zinc/86/10/57/719861057.db2.gz AQHFNMCWBPECGR-DNVCBOLYSA-N 2 2 375.473 0.355 20 0 GCADLP CCN(C)c1cc(C)[nH+]c(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164720361 720208293 /nfs/dbraw/zinc/20/82/93/720208293.db2.gz ZILYBQVOSLQXFD-HXUWFJFHSA-N 2 2 390.532 0.906 20 0 GCADLP CCN(C)c1cc(C)[nH+]c(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164720361 720208302 /nfs/dbraw/zinc/20/83/02/720208302.db2.gz ZILYBQVOSLQXFD-HXUWFJFHSA-N 2 2 390.532 0.906 20 0 GCADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164851426 720837272 /nfs/dbraw/zinc/83/72/72/720837272.db2.gz HBVDSUXVFRLUDT-IAGOWNOFSA-N 2 2 377.489 0.487 20 0 GCADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164851426 720837274 /nfs/dbraw/zinc/83/72/74/720837274.db2.gz HBVDSUXVFRLUDT-IAGOWNOFSA-N 2 2 377.489 0.487 20 0 GCADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164856074 720865604 /nfs/dbraw/zinc/86/56/04/720865604.db2.gz OJGDDOSSXODAMW-AEFFLSMTSA-N 3 2 390.532 0.578 20 0 GCADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164856074 720865606 /nfs/dbraw/zinc/86/56/06/720865606.db2.gz OJGDDOSSXODAMW-AEFFLSMTSA-N 3 2 390.532 0.578 20 0 GCADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164856075 720865823 /nfs/dbraw/zinc/86/58/23/720865823.db2.gz OJGDDOSSXODAMW-FUHWJXTLSA-N 3 2 390.532 0.578 20 0 GCADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164856075 720865824 /nfs/dbraw/zinc/86/58/24/720865824.db2.gz OJGDDOSSXODAMW-FUHWJXTLSA-N 3 2 390.532 0.578 20 0 GCADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164890586 721394626 /nfs/dbraw/zinc/39/46/26/721394626.db2.gz OLYAUUUTIVAXGS-UWJYYQICSA-N 2 2 386.544 0.888 20 0 GCADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ncc5c(n4)C[NH2+]C5)CCO3)C2)c1 ZINC001164914607 721782794 /nfs/dbraw/zinc/78/27/94/721782794.db2.gz FEXZKGMXMIVAJS-FQEVSTJZSA-N 2 2 382.468 0.583 20 0 GCADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ncc5c(n4)C[NH2+]C5)CCO3)C2)c1 ZINC001164914607 721782796 /nfs/dbraw/zinc/78/27/96/721782796.db2.gz FEXZKGMXMIVAJS-FQEVSTJZSA-N 2 2 382.468 0.583 20 0 GCADLP C[NH+]1CCN(c2cccc(N3CCC[C@H]4CN(S(C)(=O)=O)C[C@H]43)[nH+]2)CC1 ZINC001164949438 721984352 /nfs/dbraw/zinc/98/43/52/721984352.db2.gz QDTCVSDEZHDAHH-JKSUJKDBSA-N 2 2 379.530 0.694 20 0 GCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571259182 945378980 /nfs/dbraw/zinc/37/89/80/945378980.db2.gz DEOALZJLBRLLMB-RCBQFDQVSA-N 2 2 385.447 0.743 20 0 GCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571259182 945378988 /nfs/dbraw/zinc/37/89/88/945378988.db2.gz DEOALZJLBRLLMB-RCBQFDQVSA-N 2 2 385.447 0.743 20 0 GCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571259182 945378997 /nfs/dbraw/zinc/37/89/97/945378997.db2.gz DEOALZJLBRLLMB-RCBQFDQVSA-N 2 2 385.447 0.743 20 0 GCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571259182 945379006 /nfs/dbraw/zinc/37/90/06/945379006.db2.gz DEOALZJLBRLLMB-RCBQFDQVSA-N 2 2 385.447 0.743 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571264006 945473756 /nfs/dbraw/zinc/47/37/56/945473756.db2.gz DNBVUMDIQIVBJW-KRWDZBQOSA-N 2 2 385.472 0.278 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571264006 945473759 /nfs/dbraw/zinc/47/37/59/945473759.db2.gz DNBVUMDIQIVBJW-KRWDZBQOSA-N 2 2 385.472 0.278 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571293983 946122650 /nfs/dbraw/zinc/12/26/50/946122650.db2.gz XKKUFAYFCQEBMZ-ZBFHGGJFSA-N 2 2 389.435 0.027 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571293983 946122657 /nfs/dbraw/zinc/12/26/57/946122657.db2.gz XKKUFAYFCQEBMZ-ZBFHGGJFSA-N 2 2 389.435 0.027 20 0 GCADLP OCCN1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826509992 948430757 /nfs/dbraw/zinc/43/07/57/948430757.db2.gz SYGAJOKZKXKDGK-LJQANCHMSA-N 2 2 385.516 0.877 20 0 GCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574920227 948889561 /nfs/dbraw/zinc/88/95/61/948889561.db2.gz GFXHPVOXORGXEV-LBPRGKRZSA-N 2 2 386.435 0.966 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574431736 948925981 /nfs/dbraw/zinc/92/59/81/948925981.db2.gz ALUBSQUTUWGCKB-ZDUSSCGKSA-N 2 2 381.444 0.977 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574432251 948933453 /nfs/dbraw/zinc/93/34/53/948933453.db2.gz GSQAQNYHKGZFFN-UHFFFAOYSA-N 2 2 381.444 0.930 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574942400 949356309 /nfs/dbraw/zinc/35/63/09/949356309.db2.gz NRJNADSSVJVJNT-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574942400 949356331 /nfs/dbraw/zinc/35/63/31/949356331.db2.gz NRJNADSSVJVJNT-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574943805 949381500 /nfs/dbraw/zinc/38/15/00/949381500.db2.gz YUHZTLPQLJIWAH-LBPRGKRZSA-N 2 2 381.444 0.376 20 0 GCADLP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711876 949562374 /nfs/dbraw/zinc/56/23/74/949562374.db2.gz NJQDOQBJJSHGPH-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711876 949562391 /nfs/dbraw/zinc/56/23/91/949562391.db2.gz NJQDOQBJJSHGPH-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574712000 949568166 /nfs/dbraw/zinc/56/81/66/949568166.db2.gz PKLUQOULEBTUGY-YPMHNXCESA-N 2 2 379.490 0.195 20 0 GCADLP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574712000 949568181 /nfs/dbraw/zinc/56/81/81/949568181.db2.gz PKLUQOULEBTUGY-YPMHNXCESA-N 2 2 379.490 0.195 20 0 GCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574960365 949724858 /nfs/dbraw/zinc/72/48/58/949724858.db2.gz WPTJLQHLBHHYDK-APHBMKBZSA-N 2 2 380.456 0.998 20 0 GCADLP C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574496515 950217704 /nfs/dbraw/zinc/21/77/04/950217704.db2.gz XDVDBDLATIIRFN-NWDGAFQWSA-N 2 2 390.473 0.343 20 0 GCADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575906965 950321827 /nfs/dbraw/zinc/32/18/27/950321827.db2.gz LFDJZFWHNNPYCJ-GUYCJALGSA-N 2 2 380.456 0.922 20 0 GCADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575907559 950338418 /nfs/dbraw/zinc/33/84/18/950338418.db2.gz PDGSYCFPOGVDOA-SMDDNHRTSA-N 2 2 386.485 0.983 20 0 GCADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575908437 950365300 /nfs/dbraw/zinc/36/53/00/950365300.db2.gz BZRRKPOYZLOGTQ-SUMWQHHRSA-N 2 2 380.456 0.922 20 0 GCADLP CC1CC[NH+](CC(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576204747 950472804 /nfs/dbraw/zinc/47/28/04/950472804.db2.gz BNSQXYALDUGQGT-QGZVFWFLSA-N 2 2 384.488 0.722 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576205738 950537643 /nfs/dbraw/zinc/53/76/43/950537643.db2.gz OCVCATDERZFBJI-CYBMUJFWSA-N 2 2 387.463 0.896 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576205738 950537662 /nfs/dbraw/zinc/53/76/62/950537662.db2.gz OCVCATDERZFBJI-CYBMUJFWSA-N 2 2 387.463 0.896 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206980 950586534 /nfs/dbraw/zinc/58/65/34/950586534.db2.gz BEGFBBBYFIHFAK-CYBMUJFWSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206980 950586545 /nfs/dbraw/zinc/58/65/45/950586545.db2.gz BEGFBBBYFIHFAK-CYBMUJFWSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206980 950586563 /nfs/dbraw/zinc/58/65/63/950586563.db2.gz BEGFBBBYFIHFAK-CYBMUJFWSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206980 950586582 /nfs/dbraw/zinc/58/65/82/950586582.db2.gz BEGFBBBYFIHFAK-CYBMUJFWSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576208670 950612655 /nfs/dbraw/zinc/61/26/55/950612655.db2.gz RYZXQZDATWPYTO-CYBMUJFWSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576208670 950612672 /nfs/dbraw/zinc/61/26/72/950612672.db2.gz RYZXQZDATWPYTO-CYBMUJFWSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576208670 950612690 /nfs/dbraw/zinc/61/26/90/950612690.db2.gz RYZXQZDATWPYTO-CYBMUJFWSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576208670 950612707 /nfs/dbraw/zinc/61/27/07/950612707.db2.gz RYZXQZDATWPYTO-CYBMUJFWSA-N 2 2 375.452 0.896 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080459 951709973 /nfs/dbraw/zinc/70/99/73/951709973.db2.gz MHUOWGGJBXJHSJ-LBPRGKRZSA-N 2 2 386.435 0.824 20 0 GCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102992 951871732 /nfs/dbraw/zinc/87/17/32/951871732.db2.gz PZLCAKNTQCENEK-MLGOLLRUSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102992 951871740 /nfs/dbraw/zinc/87/17/40/951871740.db2.gz PZLCAKNTQCENEK-MLGOLLRUSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001575147407 952199848 /nfs/dbraw/zinc/19/98/48/952199848.db2.gz SLYOMGCNLVLNHU-YNEHKIRRSA-N 2 2 381.444 0.480 20 0 GCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571147027 952656306 /nfs/dbraw/zinc/65/63/06/952656306.db2.gz QLJCGMLHRPDGHL-OLZOCXBDSA-N 2 2 379.428 0.156 20 0 GCADLP Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158888 952714693 /nfs/dbraw/zinc/71/46/93/952714693.db2.gz TXJUHORRAXUKQJ-SNPRPXQTSA-N 2 2 379.428 0.693 20 0 GCADLP C[C@@H](CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001571183632 952881285 /nfs/dbraw/zinc/88/12/85/952881285.db2.gz GLXODAFHNSZUOZ-KBPBESRZSA-N 2 2 381.444 0.792 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571188481 952916198 /nfs/dbraw/zinc/91/61/98/952916198.db2.gz BRALIVGENCKNEW-AWEZNQCLSA-N 2 2 381.444 0.942 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571189728 952933358 /nfs/dbraw/zinc/93/33/58/952933358.db2.gz SVPCJSCBPUSYTP-AWEZNQCLSA-N 2 2 381.444 0.894 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571189729 952933635 /nfs/dbraw/zinc/93/36/35/952933635.db2.gz SVPCJSCBPUSYTP-CQSZACIVSA-N 2 2 381.444 0.894 20 0 GCADLP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571199260 952998226 /nfs/dbraw/zinc/99/82/26/952998226.db2.gz OPGGTDFMWBVVKX-CYBMUJFWSA-N 2 2 382.428 0.532 20 0 GCADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571207360 953062385 /nfs/dbraw/zinc/06/23/85/953062385.db2.gz YMPJUIJYEQUFSK-OAHLLOKOSA-N 2 2 382.428 0.150 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571212487 953089408 /nfs/dbraw/zinc/08/94/08/953089408.db2.gz MJUWNSVAZKVIIN-QFBILLFUSA-N 2 2 382.472 0.785 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571212487 953089414 /nfs/dbraw/zinc/08/94/14/953089414.db2.gz MJUWNSVAZKVIIN-QFBILLFUSA-N 2 2 382.472 0.785 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571241973 953251103 /nfs/dbraw/zinc/25/11/03/953251103.db2.gz RKPHJFSKUWCGEA-OKILXGFUSA-N 2 2 384.419 0.719 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571242199 953253694 /nfs/dbraw/zinc/25/36/94/953253694.db2.gz WLDMWCJCZJZLJA-ZDUSSCGKSA-N 2 2 384.419 0.673 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571248760 953297494 /nfs/dbraw/zinc/29/74/94/953297494.db2.gz ZHEOZEUVUJANHQ-GXTWGEPZSA-N 2 2 384.469 0.858 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571248760 953297496 /nfs/dbraw/zinc/29/74/96/953297496.db2.gz ZHEOZEUVUJANHQ-GXTWGEPZSA-N 2 2 384.469 0.858 20 0 GCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571252062 953323021 /nfs/dbraw/zinc/32/30/21/953323021.db2.gz GHJJVTOJXXUGNM-MRXNPFEDSA-N 2 2 384.488 0.961 20 0 GCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571252062 953323026 /nfs/dbraw/zinc/32/30/26/953323026.db2.gz GHJJVTOJXXUGNM-MRXNPFEDSA-N 2 2 384.488 0.961 20 0 GCADLP Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)c(C)s1 ZINC000653080480 530122730 /nfs/dbraw/zinc/12/27/30/530122730.db2.gz JDFWXOVBVUSPHD-CQSZACIVSA-N 2 2 388.559 0.477 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000653083044 530123472 /nfs/dbraw/zinc/12/34/72/530123472.db2.gz KYPUKRITIFPVLX-CQSZACIVSA-N 2 2 385.306 0.964 20 0 GCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000647849391 530138100 /nfs/dbraw/zinc/13/81/00/530138100.db2.gz QWXAUGWAAZVNFW-UHFFFAOYSA-N 2 2 394.950 0.515 20 0 GCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000647849391 530138103 /nfs/dbraw/zinc/13/81/03/530138103.db2.gz QWXAUGWAAZVNFW-UHFFFAOYSA-N 2 2 394.950 0.515 20 0 GCADLP NC(=O)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000269689531 530245308 /nfs/dbraw/zinc/24/53/08/530245308.db2.gz JWEJWSVYSIBIAD-CQSZACIVSA-N 2 2 383.290 0.732 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000570827299 530326241 /nfs/dbraw/zinc/32/62/41/530326241.db2.gz PZWNTHIWJSEUEH-QGZVFWFLSA-N 2 2 375.535 0.225 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C[C@H](C)C(=O)OC)CC2)CC1 ZINC000574913985 530328058 /nfs/dbraw/zinc/32/80/58/530328058.db2.gz TZOGNUDHMWKZGW-HNNXBMFYSA-N 2 2 375.535 0.617 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C[C@H](C)C(=O)OC)CC2)CC1 ZINC000574913985 530328061 /nfs/dbraw/zinc/32/80/61/530328061.db2.gz TZOGNUDHMWKZGW-HNNXBMFYSA-N 2 2 375.535 0.617 20 0 GCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@@H](C[NH3+])C1 ZINC000162403182 530333381 /nfs/dbraw/zinc/33/33/81/530333381.db2.gz WMXPYFDQOUFCHX-ZDUSSCGKSA-N 2 2 386.543 0.176 20 0 GCADLP C[N@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@@H](C[NH3+])C1 ZINC000162403182 530333383 /nfs/dbraw/zinc/33/33/83/530333383.db2.gz WMXPYFDQOUFCHX-ZDUSSCGKSA-N 2 2 386.543 0.176 20 0 GCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000601326295 530377660 /nfs/dbraw/zinc/37/76/60/530377660.db2.gz LQYBHWUVOPSVKD-CYBMUJFWSA-N 2 2 391.257 0.174 20 0 GCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000284332761 530385012 /nfs/dbraw/zinc/38/50/12/530385012.db2.gz AOPXRIKTWWNVCH-UHFFFAOYSA-N 2 2 382.555 0.387 20 0 GCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000284332761 530385016 /nfs/dbraw/zinc/38/50/16/530385016.db2.gz AOPXRIKTWWNVCH-UHFFFAOYSA-N 2 2 382.555 0.387 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccccc1I ZINC000595902209 530450143 /nfs/dbraw/zinc/45/01/43/530450143.db2.gz MRJOIIPNORTWGO-UHFFFAOYSA-N 2 2 389.237 0.934 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596413 530466844 /nfs/dbraw/zinc/46/68/44/530466844.db2.gz PASRODDIMLLHOS-ZIAGYGMSSA-N 2 2 383.290 0.950 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596412 530466963 /nfs/dbraw/zinc/46/69/63/530466963.db2.gz PASRODDIMLLHOS-UONOGXRCSA-N 2 2 383.290 0.950 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596410 530467028 /nfs/dbraw/zinc/46/70/28/530467028.db2.gz PASRODDIMLLHOS-KBPBESRZSA-N 2 2 383.290 0.950 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602201901 530481659 /nfs/dbraw/zinc/48/16/59/530481659.db2.gz TUQVLPGRCRCDMS-LBPRGKRZSA-N 2 2 386.543 0.223 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602201901 530481662 /nfs/dbraw/zinc/48/16/62/530481662.db2.gz TUQVLPGRCRCDMS-LBPRGKRZSA-N 2 2 386.543 0.223 20 0 GCADLP C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000567892468 530549981 /nfs/dbraw/zinc/54/99/81/530549981.db2.gz AHDVXKQDHWATFS-JTQLQIEISA-N 2 2 395.312 0.373 20 0 GCADLP C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000567892468 530549984 /nfs/dbraw/zinc/54/99/84/530549984.db2.gz AHDVXKQDHWATFS-JTQLQIEISA-N 2 2 395.312 0.373 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CC(F)(F)C[NH3+])c2)CC1 ZINC000568407533 530559316 /nfs/dbraw/zinc/55/93/16/530559316.db2.gz ZZRGFYVGOABWBH-UHFFFAOYSA-N 2 2 376.429 0.545 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCc3ccc(Cl)cc3)CC2)CC1 ZINC000450253635 530568454 /nfs/dbraw/zinc/56/84/54/530568454.db2.gz PGJLBXBURUVGJZ-UHFFFAOYSA-N 2 2 386.949 0.992 20 0 GCADLP CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CCOC)CC1 ZINC000573016222 530573862 /nfs/dbraw/zinc/57/38/62/530573862.db2.gz KSOPZIRZRLXXIM-RDJZCZTQSA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC)CC1 ZINC000573016222 530573865 /nfs/dbraw/zinc/57/38/65/530573865.db2.gz KSOPZIRZRLXXIM-RDJZCZTQSA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000573016222 530573867 /nfs/dbraw/zinc/57/38/67/530573867.db2.gz KSOPZIRZRLXXIM-RDJZCZTQSA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000573016222 530573869 /nfs/dbraw/zinc/57/38/69/530573869.db2.gz KSOPZIRZRLXXIM-RDJZCZTQSA-N 2 2 379.567 0.308 20 0 GCADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629581206 530583961 /nfs/dbraw/zinc/58/39/61/530583961.db2.gz RNROSBBGGLWKFS-HNNXBMFYSA-N 2 2 375.922 0.973 20 0 GCADLP COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000327771817 530578866 /nfs/dbraw/zinc/57/88/66/530578866.db2.gz LSYDXCHIEBBZMW-CVEARBPZSA-N 2 2 375.535 0.616 20 0 GCADLP COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000327771817 530578868 /nfs/dbraw/zinc/57/88/68/530578868.db2.gz LSYDXCHIEBBZMW-CVEARBPZSA-N 2 2 375.535 0.616 20 0 GCADLP C[N@H+](CCOCC[NH3+])CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000629575545 530580051 /nfs/dbraw/zinc/58/00/51/530580051.db2.gz OHCGQGXQUHNUHA-INIZCTEOSA-N 2 2 375.535 0.242 20 0 GCADLP C[N@@H+](CCOCC[NH3+])CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000629575545 530580054 /nfs/dbraw/zinc/58/00/54/530580054.db2.gz OHCGQGXQUHNUHA-INIZCTEOSA-N 2 2 375.535 0.242 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769721 530624433 /nfs/dbraw/zinc/62/44/33/530624433.db2.gz UMSFBTGMQLEZGJ-RRFJBIMHSA-N 2 2 393.285 0.798 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769721 530624434 /nfs/dbraw/zinc/62/44/34/530624434.db2.gz UMSFBTGMQLEZGJ-RRFJBIMHSA-N 2 2 393.285 0.798 20 0 GCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@@H](C)O1 ZINC000577842865 530625216 /nfs/dbraw/zinc/62/52/16/530625216.db2.gz JRGKBEJQBDLZDV-KLHDSHLOSA-N 2 2 375.535 0.003 20 0 GCADLP CCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000461865924 530645557 /nfs/dbraw/zinc/64/55/57/530645557.db2.gz OREYFOJNEZEEFM-GOEBONIOSA-N 2 2 375.535 0.111 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000463423359 530658468 /nfs/dbraw/zinc/65/84/68/530658468.db2.gz DYAJFUKLBUMIQV-UHFFFAOYSA-N 2 2 375.535 0.273 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC000640750486 530659326 /nfs/dbraw/zinc/65/93/26/530659326.db2.gz KUMSIKSQZRQIHY-UHFFFAOYSA-N 2 2 389.547 0.885 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC000640750486 530659331 /nfs/dbraw/zinc/65/93/31/530659331.db2.gz KUMSIKSQZRQIHY-UHFFFAOYSA-N 2 2 389.547 0.885 20 0 GCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000617768564 530664708 /nfs/dbraw/zinc/66/47/08/530664708.db2.gz JUNVDLFTTLIVDD-UHFFFAOYSA-N 2 2 390.937 0.618 20 0 GCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000617768564 530664710 /nfs/dbraw/zinc/66/47/10/530664710.db2.gz JUNVDLFTTLIVDD-UHFFFAOYSA-N 2 2 390.937 0.618 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000465915660 530667804 /nfs/dbraw/zinc/66/78/04/530667804.db2.gz AMZNKRHKWHZPFO-HOTGVXAUSA-N 2 2 376.567 0.867 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000465915660 530667806 /nfs/dbraw/zinc/66/78/06/530667806.db2.gz AMZNKRHKWHZPFO-HOTGVXAUSA-N 2 2 376.567 0.867 20 0 GCADLP CC[NH+](CC)CCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503460745 530709739 /nfs/dbraw/zinc/70/97/39/530709739.db2.gz KNEQLKSLCJAPKX-HZPDHXFCSA-N 2 2 391.603 0.781 20 0 GCADLP CC[NH+](CC)CCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503460745 530709740 /nfs/dbraw/zinc/70/97/40/530709740.db2.gz KNEQLKSLCJAPKX-HZPDHXFCSA-N 2 2 391.603 0.781 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000579350932 530741425 /nfs/dbraw/zinc/74/14/25/530741425.db2.gz ABEWDJDCIUINMO-GJZGRUSLSA-N 2 2 395.301 0.903 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C[C@H](COC)OC)CC2)CC1 ZINC000641547783 530755474 /nfs/dbraw/zinc/75/54/74/530755474.db2.gz UYLYENQAYCJSSL-KRWDZBQOSA-N 2 2 377.551 0.470 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C[C@H](COC)OC)CC2)CC1 ZINC000641547783 530755477 /nfs/dbraw/zinc/75/54/77/530755477.db2.gz UYLYENQAYCJSSL-KRWDZBQOSA-N 2 2 377.551 0.470 20 0 GCADLP Cc1nn(C)c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1Br ZINC000373843030 530786429 /nfs/dbraw/zinc/78/64/29/530786429.db2.gz SYSFAJYMAHYEES-AWEZNQCLSA-N 2 2 386.338 0.987 20 0 GCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000376949370 530820352 /nfs/dbraw/zinc/82/03/52/530820352.db2.gz OGIRSONNKOKPOV-IXDOHACOSA-N 2 2 375.535 0.222 20 0 GCADLP CC(C)S(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000584405786 530870321 /nfs/dbraw/zinc/87/03/21/530870321.db2.gz AOGQSHHFAFHKMW-BFYDXBDKSA-N 2 2 377.551 0.249 20 0 GCADLP CC(C)[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000656376772 530840409 /nfs/dbraw/zinc/84/04/09/530840409.db2.gz OCYRNVWOCJIBBS-CYBMUJFWSA-N 2 2 393.535 0.143 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000656375577 530840652 /nfs/dbraw/zinc/84/06/52/530840652.db2.gz ZJMLTRFSWXYGIQ-CYBMUJFWSA-N 2 2 393.535 0.286 20 0 GCADLP CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000657601081 530898566 /nfs/dbraw/zinc/89/85/66/530898566.db2.gz AWBQOLABRLZBBW-RDJZCZTQSA-N 2 2 387.933 0.993 20 0 GCADLP O=S(=O)(CCC[NH+]1CCCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000631786317 530948038 /nfs/dbraw/zinc/94/80/38/530948038.db2.gz VFWSJGZCTDZSBC-MRXNPFEDSA-N 2 2 377.576 0.600 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[nH+]c12 ZINC000419044623 530953545 /nfs/dbraw/zinc/95/35/45/530953545.db2.gz QKLSLVOLRRYQIQ-JTQLQIEISA-N 2 2 382.262 0.875 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H](C)CC[NH3+])[nH+]c12 ZINC000419044625 530953797 /nfs/dbraw/zinc/95/37/97/530953797.db2.gz QKLSLVOLRRYQIQ-SNVBAGLBSA-N 2 2 382.262 0.875 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662681844 531022717 /nfs/dbraw/zinc/02/27/17/531022717.db2.gz MEODSTPONIYVAR-OAHLLOKOSA-N 2 2 383.290 0.776 20 0 GCADLP COC(=O)c1ncsc1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000327991286 531023926 /nfs/dbraw/zinc/02/39/26/531023926.db2.gz RXHNACHKXZMNRU-UHFFFAOYSA-N 2 2 390.531 0.576 20 0 GCADLP COC(=O)c1ncsc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000327991286 531023931 /nfs/dbraw/zinc/02/39/31/531023931.db2.gz RXHNACHKXZMNRU-UHFFFAOYSA-N 2 2 390.531 0.576 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000125901811 531031152 /nfs/dbraw/zinc/03/11/52/531031152.db2.gz YJXVDQKFJGNPCG-OAHLLOKOSA-N 2 2 376.567 0.435 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000125901811 531031153 /nfs/dbraw/zinc/03/11/53/531031153.db2.gz YJXVDQKFJGNPCG-OAHLLOKOSA-N 2 2 376.567 0.435 20 0 GCADLP O=C1C[C@H]([NH2+]Cc2ccc(Br)cn2)CN1CC[NH+]1CCOCC1 ZINC000533252902 531038960 /nfs/dbraw/zinc/03/89/60/531038960.db2.gz RUIOXQGNVABQSH-HNNXBMFYSA-N 2 2 383.290 0.867 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3sccc3S(N)(=O)=O)CC2)CC1 ZINC000667641150 531106629 /nfs/dbraw/zinc/10/66/29/531106629.db2.gz JCJSXQLXDRBHFI-UHFFFAOYSA-N 2 2 386.543 0.684 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)S(C)(=O)=O ZINC000246730764 531140230 /nfs/dbraw/zinc/14/02/30/531140230.db2.gz DPOQGFPKOOSLBU-INIZCTEOSA-N 2 2 376.567 0.436 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)S(C)(=O)=O ZINC000246730764 531140232 /nfs/dbraw/zinc/14/02/32/531140232.db2.gz DPOQGFPKOOSLBU-INIZCTEOSA-N 2 2 376.567 0.436 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)S(C)(=O)=O ZINC000246730764 531140234 /nfs/dbraw/zinc/14/02/34/531140234.db2.gz DPOQGFPKOOSLBU-INIZCTEOSA-N 2 2 376.567 0.436 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)S(C)(=O)=O ZINC000246730764 531140235 /nfs/dbraw/zinc/14/02/35/531140235.db2.gz DPOQGFPKOOSLBU-INIZCTEOSA-N 2 2 376.567 0.436 20 0 GCADLP C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000566485867 531198392 /nfs/dbraw/zinc/19/83/92/531198392.db2.gz CGLDMVLQISIDLU-OLZOCXBDSA-N 2 2 393.535 0.143 20 0 GCADLP CN1CC[NH+](C[C@H]2CN(C(=O)c3ccnc(OCC[NH+](C)C)c3)CCO2)CC1 ZINC000359900916 209202466 /nfs/dbraw/zinc/20/24/66/209202466.db2.gz QPKDIOYAJAPKKK-SFHVURJKSA-N 2 2 391.516 0.110 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738025355 598975826 /nfs/dbraw/zinc/97/58/26/598975826.db2.gz NDIUHVSDGXZVSO-QGZVFWFLSA-N 2 2 396.499 0.931 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738025355 598975828 /nfs/dbraw/zinc/97/58/28/598975828.db2.gz NDIUHVSDGXZVSO-QGZVFWFLSA-N 2 2 396.499 0.931 20 0 GCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738025350 598976001 /nfs/dbraw/zinc/97/60/01/598976001.db2.gz NDIUHVSDGXZVSO-KRWDZBQOSA-N 2 2 396.499 0.931 20 0 GCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738025350 598976003 /nfs/dbraw/zinc/97/60/03/598976003.db2.gz NDIUHVSDGXZVSO-KRWDZBQOSA-N 2 2 396.499 0.931 20 0 GCADLP C[NH+]1CCN(c2ccc([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)CC1 ZINC000821628988 607310644 /nfs/dbraw/zinc/31/06/44/607310644.db2.gz VZRJRSHBIDVANO-CQSZACIVSA-N 2 2 394.487 0.969 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736850842 598768638 /nfs/dbraw/zinc/76/86/38/598768638.db2.gz CZRDKIHYUVCVOU-HNNXBMFYSA-N 2 2 385.472 0.530 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736850842 598768640 /nfs/dbraw/zinc/76/86/40/598768640.db2.gz CZRDKIHYUVCVOU-HNNXBMFYSA-N 2 2 385.472 0.530 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736851909 598769358 /nfs/dbraw/zinc/76/93/58/598769358.db2.gz MKLRQLPLPCTZGJ-CQSZACIVSA-N 2 2 385.472 0.530 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736851909 598769360 /nfs/dbraw/zinc/76/93/60/598769360.db2.gz MKLRQLPLPCTZGJ-CQSZACIVSA-N 2 2 385.472 0.530 20 0 GCADLP Cc1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1-c1nn[nH]n1 ZINC000826300957 607607049 /nfs/dbraw/zinc/60/70/49/607607049.db2.gz MWJVLRYLSYKRRT-UHFFFAOYSA-N 2 2 381.506 0.289 20 0 GCADLP CN(C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000826022598 609228348 /nfs/dbraw/zinc/22/83/48/609228348.db2.gz OVGOPYRPRGCNEB-MSOLQXFVSA-N 2 2 399.499 0.527 20 0 GCADLP CN(C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000826022598 609228350 /nfs/dbraw/zinc/22/83/50/609228350.db2.gz OVGOPYRPRGCNEB-MSOLQXFVSA-N 2 2 399.499 0.527 20 0 GCADLP CN(C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000826022601 609228421 /nfs/dbraw/zinc/22/84/21/609228421.db2.gz OVGOPYRPRGCNEB-ZWKOTPCHSA-N 2 2 399.499 0.527 20 0 GCADLP CN(C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000826022601 609228422 /nfs/dbraw/zinc/22/84/22/609228422.db2.gz OVGOPYRPRGCNEB-ZWKOTPCHSA-N 2 2 399.499 0.527 20 0 GCADLP Cn1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(I)n1 ZINC000894236734 638684882 /nfs/dbraw/zinc/68/48/82/638684882.db2.gz CBQLBELQYRFRHG-UHFFFAOYSA-N 2 2 391.257 0.278 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907327452 639378705 /nfs/dbraw/zinc/37/87/05/639378705.db2.gz DYFXPENQNPTOQE-UHFFFAOYSA-N 2 2 375.535 0.272 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000775154880 641067475 /nfs/dbraw/zinc/06/74/75/641067475.db2.gz UJQZDVSFUZPOHR-VXGBXAGGSA-N 2 2 377.316 0.581 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000775154880 641067478 /nfs/dbraw/zinc/06/74/78/641067478.db2.gz UJQZDVSFUZPOHR-VXGBXAGGSA-N 2 2 377.316 0.581 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000775152895 641067918 /nfs/dbraw/zinc/06/79/18/641067918.db2.gz OYEMPHCURDUWMV-GXTWGEPZSA-N 2 2 391.343 0.923 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000775152895 641067927 /nfs/dbraw/zinc/06/79/27/641067927.db2.gz OYEMPHCURDUWMV-GXTWGEPZSA-N 2 2 391.343 0.923 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000775154878 641067959 /nfs/dbraw/zinc/06/79/59/641067959.db2.gz UJQZDVSFUZPOHR-NWDGAFQWSA-N 2 2 377.316 0.581 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000775154878 641067969 /nfs/dbraw/zinc/06/79/69/641067969.db2.gz UJQZDVSFUZPOHR-NWDGAFQWSA-N 2 2 377.316 0.581 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870909163 641447045 /nfs/dbraw/zinc/44/70/45/641447045.db2.gz BAVAOFXVPIOGHQ-HUUCEWRRSA-N 2 2 386.290 0.600 20 0 GCADLP [NH3+][C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1cccc(Br)c1 ZINC000870939980 641448272 /nfs/dbraw/zinc/44/82/72/641448272.db2.gz DVIGHOXATKPRHH-GOEBONIOSA-N 2 2 395.301 0.872 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ncc(Cl)s3)C2)CC1 ZINC000875215487 641540384 /nfs/dbraw/zinc/54/03/84/641540384.db2.gz XLJBDDQWPVMGHR-NSHDSACASA-N 2 2 385.921 0.697 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ncc(Cl)s3)C2)CC1 ZINC000875215487 641540387 /nfs/dbraw/zinc/54/03/87/641540387.db2.gz XLJBDDQWPVMGHR-NSHDSACASA-N 2 2 385.921 0.697 20 0 GCADLP CC[C@]1(O)CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000879312628 641610880 /nfs/dbraw/zinc/61/08/80/641610880.db2.gz SNPZXUCCGQYVJP-ROUUACIJSA-N 2 2 376.563 0.875 20 0 GCADLP CC[C@]1(O)CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000879312628 641610884 /nfs/dbraw/zinc/61/08/84/641610884.db2.gz SNPZXUCCGQYVJP-ROUUACIJSA-N 2 2 376.563 0.875 20 0 GCADLP C[S@@](=N)(=O)N1CC[NH+](CCCCC[NH+]2CCN([S@](C)(=N)=O)CC2)CC1 ZINC000879944313 641622859 /nfs/dbraw/zinc/62/28/59/641622859.db2.gz COAWFDOBPKYFCZ-DQEYMECFSA-N 2 2 394.611 0.575 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884190690 641777487 /nfs/dbraw/zinc/77/74/87/641777487.db2.gz KBAJUOJUOONKNT-HNNXBMFYSA-N 2 2 383.290 0.776 20 0 GCADLP [NH3+][C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccc(Br)cc1 ZINC000884252827 641780181 /nfs/dbraw/zinc/78/01/81/641780181.db2.gz TZUVLZLYCAFGAL-ZBFHGGJFSA-N 2 2 395.301 0.872 20 0 GCADLP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884287606 641780470 /nfs/dbraw/zinc/78/04/70/641780470.db2.gz GTSKOIABVPQACM-HNNXBMFYSA-N 2 2 377.457 0.617 20 0 GCADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817965416 641892658 /nfs/dbraw/zinc/89/26/58/641892658.db2.gz PZCFDBVBLGTTMY-IAQYHMDHSA-N 2 2 375.516 0.800 20 0 GCADLP C[C@H](O)C[C@H]1CCC[N@@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000246872571 642062181 /nfs/dbraw/zinc/06/21/81/642062181.db2.gz WKVKFPHOPAVVCD-XLAORIBOSA-N 2 2 376.563 0.872 20 0 GCADLP C[C@H](O)C[C@H]1CCC[N@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000246872571 642062189 /nfs/dbraw/zinc/06/21/89/642062189.db2.gz WKVKFPHOPAVVCD-XLAORIBOSA-N 2 2 376.563 0.872 20 0 GCADLP C[C@H](O)C[C@H]1CCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246872571 642062191 /nfs/dbraw/zinc/06/21/91/642062191.db2.gz WKVKFPHOPAVVCD-XLAORIBOSA-N 2 2 376.563 0.872 20 0 GCADLP C[C@H](O)C[C@H]1CCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246872571 642062200 /nfs/dbraw/zinc/06/22/00/642062200.db2.gz WKVKFPHOPAVVCD-XLAORIBOSA-N 2 2 376.563 0.872 20 0 GCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C)C[C@@H]3Cc3ccccc3)[C@@H]2C1 ZINC000652529918 1192236374 /nfs/dbraw/zinc/23/63/74/1192236374.db2.gz YXJQQUMNTSYQFC-SLFFLAALSA-N 2 2 384.524 0.924 20 0 GCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C)C[C@@H]3Cc3ccccc3)[C@@H]2C1 ZINC000652529918 1192236378 /nfs/dbraw/zinc/23/63/78/1192236378.db2.gz YXJQQUMNTSYQFC-SLFFLAALSA-N 2 2 384.524 0.924 20 0 GCADLP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[N@H+](C)C[C@@H]3Cc3ccccc3)[C@@H]2C1 ZINC000652529918 1192236383 /nfs/dbraw/zinc/23/63/83/1192236383.db2.gz YXJQQUMNTSYQFC-SLFFLAALSA-N 2 2 384.524 0.924 20 0 GCADLP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3Cc3ccccc3)[C@@H]2C1 ZINC000652529918 1192236387 /nfs/dbraw/zinc/23/63/87/1192236387.db2.gz YXJQQUMNTSYQFC-SLFFLAALSA-N 2 2 384.524 0.924 20 0 GCADLP CC(C)[C@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000662286284 1192277024 /nfs/dbraw/zinc/27/70/24/1192277024.db2.gz YBEIKTRHDKZZJO-IBGZPJMESA-N 2 2 377.485 0.975 20 0 GCADLP CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338968 1192285312 /nfs/dbraw/zinc/28/53/12/1192285312.db2.gz XTTTWVMFSRORFE-ZDUSSCGKSA-N 2 2 386.508 0.032 20 0 GCADLP CN(C)c1nc(N)nc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338968 1192285314 /nfs/dbraw/zinc/28/53/14/1192285314.db2.gz XTTTWVMFSRORFE-ZDUSSCGKSA-N 2 2 386.508 0.032 20 0 GCADLP CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000662467249 1192300721 /nfs/dbraw/zinc/30/07/21/1192300721.db2.gz BNHRRUIKNXQWQI-KRWDZBQOSA-N 2 2 390.532 0.973 20 0 GCADLP CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000662467249 1192300728 /nfs/dbraw/zinc/30/07/28/1192300728.db2.gz BNHRRUIKNXQWQI-KRWDZBQOSA-N 2 2 390.532 0.973 20 0 GCADLP CNc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[nH+]c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000467741647 1192330044 /nfs/dbraw/zinc/33/00/44/1192330044.db2.gz KZCPCMRJHIIOFD-QBPKDAKJSA-N 3 2 386.548 0.256 20 0 GCADLP CNc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000467741647 1192330049 /nfs/dbraw/zinc/33/00/49/1192330049.db2.gz KZCPCMRJHIIOFD-QBPKDAKJSA-N 3 2 386.548 0.256 20 0 GCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000652666249 1192379954 /nfs/dbraw/zinc/37/99/54/1192379954.db2.gz BMBXHZJNEDEBJC-IBGZPJMESA-N 2 2 388.512 0.510 20 0 GCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000652666249 1192379957 /nfs/dbraw/zinc/37/99/57/1192379957.db2.gz BMBXHZJNEDEBJC-IBGZPJMESA-N 2 2 388.512 0.510 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)CO1 ZINC000663587972 1192404466 /nfs/dbraw/zinc/40/44/66/1192404466.db2.gz CLCXBSMKQFOMKZ-IRXDYDNUSA-N 2 2 390.532 0.742 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)CO1 ZINC000663587972 1192404471 /nfs/dbraw/zinc/40/44/71/1192404471.db2.gz CLCXBSMKQFOMKZ-IRXDYDNUSA-N 2 2 390.532 0.742 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC001058872820 1192413755 /nfs/dbraw/zinc/41/37/55/1192413755.db2.gz GDCQDEHOLKMTMM-YLFCFFPRSA-N 2 2 391.516 0.191 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC001058872820 1192413760 /nfs/dbraw/zinc/41/37/60/1192413760.db2.gz GDCQDEHOLKMTMM-YLFCFFPRSA-N 2 2 391.516 0.191 20 0 GCADLP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000279085191 1192460940 /nfs/dbraw/zinc/46/09/40/1192460940.db2.gz VPPGLOUEFNLVKT-IAGOWNOFSA-N 2 2 399.495 0.684 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279135484 1192471780 /nfs/dbraw/zinc/47/17/80/1192471780.db2.gz WSXZHMLLKUNCGW-KUDFPVQQSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279135484 1192471782 /nfs/dbraw/zinc/47/17/82/1192471782.db2.gz WSXZHMLLKUNCGW-KUDFPVQQSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279135484 1192471785 /nfs/dbraw/zinc/47/17/85/1192471785.db2.gz WSXZHMLLKUNCGW-KUDFPVQQSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279135484 1192471787 /nfs/dbraw/zinc/47/17/87/1192471787.db2.gz WSXZHMLLKUNCGW-KUDFPVQQSA-N 2 2 399.495 0.440 20 0 GCADLP c1nc(N2CC[NH+]([C@H]3CCOC3)CC2)cnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663729515 1192515807 /nfs/dbraw/zinc/51/58/07/1192515807.db2.gz QXMGMIMYSQWBFM-HDICACEKSA-N 2 2 388.516 0.298 20 0 GCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c(=O)[nH]c1=O ZINC000106217324 1192568890 /nfs/dbraw/zinc/56/88/90/1192568890.db2.gz IWKBZCWNTVKWHG-CYBMUJFWSA-N 2 2 388.472 0.808 20 0 GCADLP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c(=O)[nH]c1=O ZINC000106217324 1192568893 /nfs/dbraw/zinc/56/88/93/1192568893.db2.gz IWKBZCWNTVKWHG-CYBMUJFWSA-N 2 2 388.472 0.808 20 0 GCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000187413152 1192589476 /nfs/dbraw/zinc/58/94/76/1192589476.db2.gz VWVLQVCGOQACFV-SFHVURJKSA-N 2 2 383.581 0.891 20 0 GCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000187413152 1192589480 /nfs/dbraw/zinc/58/94/80/1192589480.db2.gz VWVLQVCGOQACFV-SFHVURJKSA-N 2 2 383.581 0.891 20 0 GCADLP Cc1cc(N2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)nc(C(C)C)[nH+]1 ZINC000418775507 1192643029 /nfs/dbraw/zinc/64/30/29/1192643029.db2.gz ZWAVOJULENFTGP-MRXNPFEDSA-N 2 2 375.521 0.644 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000418826063 1192656796 /nfs/dbraw/zinc/65/67/96/1192656796.db2.gz FQNVXGYAEGDQCL-WDSOQIARSA-N 2 2 388.512 0.508 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000418826063 1192656799 /nfs/dbraw/zinc/65/67/99/1192656799.db2.gz FQNVXGYAEGDQCL-WDSOQIARSA-N 2 2 388.512 0.508 20 0 GCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824916 1192657000 /nfs/dbraw/zinc/65/70/00/1192657000.db2.gz DOSPHJJEYKWVEH-RTBURBONSA-N 2 2 390.528 0.835 20 0 GCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824916 1192657004 /nfs/dbraw/zinc/65/70/04/1192657004.db2.gz DOSPHJJEYKWVEH-RTBURBONSA-N 2 2 390.528 0.835 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418823878 1192656315 /nfs/dbraw/zinc/65/63/15/1192656315.db2.gz COQUMNUYXSISJB-QGZVFWFLSA-N 2 2 380.533 0.738 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418830969 1192658663 /nfs/dbraw/zinc/65/86/63/1192658663.db2.gz KAZORMPVURGKHG-MSOLQXFVSA-N 2 2 376.501 0.493 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418830969 1192658665 /nfs/dbraw/zinc/65/86/65/1192658665.db2.gz KAZORMPVURGKHG-MSOLQXFVSA-N 2 2 376.501 0.493 20 0 GCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000418831613 1192659585 /nfs/dbraw/zinc/65/95/85/1192659585.db2.gz LHNJIXMDUXDRFN-VQIMIIECSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000418831613 1192659587 /nfs/dbraw/zinc/65/95/87/1192659587.db2.gz LHNJIXMDUXDRFN-VQIMIIECSA-N 2 2 388.512 0.589 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833012 1192660009 /nfs/dbraw/zinc/66/00/09/1192660009.db2.gz MUFKCDXTTMPNQJ-QZTJIDSGSA-N 2 2 376.501 0.637 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833012 1192660012 /nfs/dbraw/zinc/66/00/12/1192660012.db2.gz MUFKCDXTTMPNQJ-QZTJIDSGSA-N 2 2 376.501 0.637 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000418833826 1192660141 /nfs/dbraw/zinc/66/01/41/1192660141.db2.gz NVWNGUMASLYZNP-GOSISDBHSA-N 2 2 388.512 0.781 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000418833826 1192660145 /nfs/dbraw/zinc/66/01/45/1192660145.db2.gz NVWNGUMASLYZNP-GOSISDBHSA-N 2 2 388.512 0.781 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418835003 1192660448 /nfs/dbraw/zinc/66/04/48/1192660448.db2.gz PEMXXUUDLUKKTN-OTWHNJEPSA-N 2 2 388.512 0.637 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418835003 1192660452 /nfs/dbraw/zinc/66/04/52/1192660452.db2.gz PEMXXUUDLUKKTN-OTWHNJEPSA-N 2 2 388.512 0.637 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000418835969 1192661404 /nfs/dbraw/zinc/66/14/04/1192661404.db2.gz QOPDIYSEFHPMQV-OALUTQOASA-N 2 2 388.512 0.637 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000418835969 1192661407 /nfs/dbraw/zinc/66/14/07/1192661407.db2.gz QOPDIYSEFHPMQV-OALUTQOASA-N 2 2 388.512 0.637 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418837703 1192662153 /nfs/dbraw/zinc/66/21/53/1192662153.db2.gz UDIFPPGTGFRNTH-GUDVDZBRSA-N 2 2 386.496 0.072 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418837703 1192662157 /nfs/dbraw/zinc/66/21/57/1192662157.db2.gz UDIFPPGTGFRNTH-GUDVDZBRSA-N 2 2 386.496 0.072 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418903490 1192685206 /nfs/dbraw/zinc/68/52/06/1192685206.db2.gz BHUKLTCTBUMWIW-QFBILLFUSA-N 2 2 388.512 0.863 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418910323 1192686997 /nfs/dbraw/zinc/68/69/97/1192686997.db2.gz ULDXTZZJLYLXLY-RHSMWYFYSA-N 2 2 385.468 0.777 20 0 GCADLP C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000418919896 1192691491 /nfs/dbraw/zinc/69/14/91/1192691491.db2.gz XVLLVRRUBSWHNB-LPHOPBHVSA-N 2 2 388.512 0.578 20 0 GCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418919212 1192692374 /nfs/dbraw/zinc/69/23/74/1192692374.db2.gz WZMDLPGDFCECRD-KRWDZBQOSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000663831436 1192695544 /nfs/dbraw/zinc/69/55/44/1192695544.db2.gz SDIKJOVFWPBWPO-DLBZAZTESA-N 2 2 390.532 0.742 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000663831436 1192695548 /nfs/dbraw/zinc/69/55/48/1192695548.db2.gz SDIKJOVFWPBWPO-DLBZAZTESA-N 2 2 390.532 0.742 20 0 GCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)cc(OC)c1 ZINC000418965422 1192703548 /nfs/dbraw/zinc/70/35/48/1192703548.db2.gz OWJRUPNCBPPWFI-ZBFHGGJFSA-N 2 2 390.484 0.215 20 0 GCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)cc(OC)c1 ZINC000418965422 1192703552 /nfs/dbraw/zinc/70/35/52/1192703552.db2.gz OWJRUPNCBPPWFI-ZBFHGGJFSA-N 2 2 390.484 0.215 20 0 GCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000237332395 1192739429 /nfs/dbraw/zinc/73/94/29/1192739429.db2.gz IPZOSYAICCDCBV-SFHVURJKSA-N 2 2 381.542 0.916 20 0 GCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000237332395 1192739434 /nfs/dbraw/zinc/73/94/34/1192739434.db2.gz IPZOSYAICCDCBV-SFHVURJKSA-N 2 2 381.542 0.916 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237516773 1192747733 /nfs/dbraw/zinc/74/77/33/1192747733.db2.gz KFGRRJZLLZWBEZ-INIZCTEOSA-N 2 2 398.515 0.538 20 0 GCADLP C[C@H](C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237442826 1192744530 /nfs/dbraw/zinc/74/45/30/1192744530.db2.gz DEWWSAJQDJVSRJ-QGZVFWFLSA-N 2 2 377.508 0.748 20 0 GCADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])c2)CCO1 ZINC000419077125 1192770553 /nfs/dbraw/zinc/77/05/53/1192770553.db2.gz QPHHKZIIBCSSAD-ZDUSSCGKSA-N 2 2 384.427 0.234 20 0 GCADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])c2)CCO1 ZINC000419077125 1192770565 /nfs/dbraw/zinc/77/05/65/1192770565.db2.gz QPHHKZIIBCSSAD-ZDUSSCGKSA-N 2 2 384.427 0.234 20 0 GCADLP CC(C)([NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419098121 1192784629 /nfs/dbraw/zinc/78/46/29/1192784629.db2.gz BQJIBNSRNKFNAL-UHFFFAOYSA-N 2 2 381.908 0.432 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000419108080 1192790164 /nfs/dbraw/zinc/79/01/64/1192790164.db2.gz PPKXASHJGNOFTM-MRXNPFEDSA-N 2 2 393.919 0.399 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000419111537 1192791257 /nfs/dbraw/zinc/79/12/57/1192791257.db2.gz DKWCTLSKSVVEAQ-BSDSXHPESA-N 2 2 380.533 0.435 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419104961 1192792341 /nfs/dbraw/zinc/79/23/41/1192792341.db2.gz LWTYLGMHOWNEMD-CQSZACIVSA-N 2 2 381.908 0.432 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000419120664 1192794965 /nfs/dbraw/zinc/79/49/65/1192794965.db2.gz QZWDBPLVEIHINK-ZFWWWQNUSA-N 2 2 375.473 0.527 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419111089 1192798249 /nfs/dbraw/zinc/79/82/49/1192798249.db2.gz CMIYWKUPOLNAOA-WFFDWFOESA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[NH+]1CCOCC1 ZINC000419112492 1192799050 /nfs/dbraw/zinc/79/90/50/1192799050.db2.gz FXBQULUSRBXRAB-SFHVURJKSA-N 2 2 382.549 0.888 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000419112736 1192799658 /nfs/dbraw/zinc/79/96/58/1192799658.db2.gz VIXRYXOXSZXPGX-RHSMWYFYSA-N 2 2 393.919 0.384 20 0 GCADLP [NH3+]CCCCNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419115310 1192800499 /nfs/dbraw/zinc/80/04/99/1192800499.db2.gz YFDNWWOPMJYNBG-UHFFFAOYSA-N 2 2 381.908 0.433 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000419114763 1192801244 /nfs/dbraw/zinc/80/12/44/1192801244.db2.gz MZBWTTKNNJHEOT-OAHLLOKOSA-N 2 2 387.484 0.026 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000419116793 1192801705 /nfs/dbraw/zinc/80/17/05/1192801705.db2.gz LLDDBANFGARHKI-QGZVFWFLSA-N 2 2 380.533 0.452 20 0 GCADLP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000419117626 1192802734 /nfs/dbraw/zinc/80/27/34/1192802734.db2.gz MOEUTXOWFGZKGN-SFHVURJKSA-N 2 2 382.549 0.698 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419140004 1192812649 /nfs/dbraw/zinc/81/26/49/1192812649.db2.gz VGTHHEFZVZNADV-IAGOWNOFSA-N 2 2 390.532 0.342 20 0 GCADLP CCC[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC[N@@H+]1CCOC ZINC000500820211 1192813719 /nfs/dbraw/zinc/81/37/19/1192813719.db2.gz DVJYXGZTUPPHIL-QGZVFWFLSA-N 2 2 383.537 0.339 20 0 GCADLP CCC[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC[N@H+]1CCOC ZINC000500820211 1192813727 /nfs/dbraw/zinc/81/37/27/1192813727.db2.gz DVJYXGZTUPPHIL-QGZVFWFLSA-N 2 2 383.537 0.339 20 0 GCADLP CCC[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC[N@@H+]1CCOC ZINC000500820210 1192814009 /nfs/dbraw/zinc/81/40/09/1192814009.db2.gz DVJYXGZTUPPHIL-KRWDZBQOSA-N 2 2 383.537 0.339 20 0 GCADLP CCC[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC[N@H+]1CCOC ZINC000500820210 1192814014 /nfs/dbraw/zinc/81/40/14/1192814014.db2.gz DVJYXGZTUPPHIL-KRWDZBQOSA-N 2 2 383.537 0.339 20 0 GCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410694579 1192830352 /nfs/dbraw/zinc/83/03/52/1192830352.db2.gz CGQPDVSYKUIDMJ-QGZVFWFLSA-N 2 2 382.549 0.602 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]C[C@H]2COC(C)(C)O2)CC3)CC1 ZINC000894018483 1192891679 /nfs/dbraw/zinc/89/16/79/1192891679.db2.gz OTUZGJTWCOLYHL-HOTGVXAUSA-N 2 2 391.516 0.574 20 0 GCADLP COCCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410899584 1192915218 /nfs/dbraw/zinc/91/52/18/1192915218.db2.gz MWMPQVLREXRYJT-QZTJIDSGSA-N 2 2 382.549 0.887 20 0 GCADLP COCCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410899584 1192915222 /nfs/dbraw/zinc/91/52/22/1192915222.db2.gz MWMPQVLREXRYJT-QZTJIDSGSA-N 2 2 382.549 0.887 20 0 GCADLP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)C[C@H](C)O1 ZINC000419217289 1192915556 /nfs/dbraw/zinc/91/55/56/1192915556.db2.gz QIIYTVCHGFEHGM-KBPBESRZSA-N 2 2 398.454 0.622 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)c1 ZINC000579690805 1184088899 /nfs/dbraw/zinc/08/88/99/1184088899.db2.gz BOQPIUFGOGYJIX-AEFFLSMTSA-N 2 2 375.517 0.987 20 0 GCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000579692195 1184090058 /nfs/dbraw/zinc/09/00/58/1184090058.db2.gz NMHSAXPJVSYFGE-MSOLQXFVSA-N 2 2 392.544 0.738 20 0 GCADLP Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773629 1184132434 /nfs/dbraw/zinc/13/24/34/1184132434.db2.gz FWSLNFRJGRDBTD-OAHLLOKOSA-N 2 2 395.529 0.278 20 0 GCADLP Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773629 1184132439 /nfs/dbraw/zinc/13/24/39/1184132439.db2.gz FWSLNFRJGRDBTD-OAHLLOKOSA-N 2 2 395.529 0.278 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688734 1184186413 /nfs/dbraw/zinc/18/64/13/1184186413.db2.gz ZKETVMLRGCYSIK-FUHWJXTLSA-N 2 2 396.557 0.667 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688734 1184186417 /nfs/dbraw/zinc/18/64/17/1184186417.db2.gz ZKETVMLRGCYSIK-FUHWJXTLSA-N 2 2 396.557 0.667 20 0 GCADLP CC[N@H+](CCO)CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000274708612 1184208245 /nfs/dbraw/zinc/20/82/45/1184208245.db2.gz ZVKVZYJPFBKOKG-UHFFFAOYSA-N 2 2 394.516 0.511 20 0 GCADLP CC[N@@H+](CCO)CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000274708612 1184208252 /nfs/dbraw/zinc/20/82/52/1184208252.db2.gz ZVKVZYJPFBKOKG-UHFFFAOYSA-N 2 2 394.516 0.511 20 0 GCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000418579202 1184227963 /nfs/dbraw/zinc/22/79/63/1184227963.db2.gz JTBOBOZRCJHHED-HZPDHXFCSA-N 2 2 389.504 0.415 20 0 GCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000418579202 1184227967 /nfs/dbraw/zinc/22/79/67/1184227967.db2.gz JTBOBOZRCJHHED-HZPDHXFCSA-N 2 2 389.504 0.415 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000245941375 1184366392 /nfs/dbraw/zinc/36/63/92/1184366392.db2.gz VCTCYENGMSMGQB-MSOLQXFVSA-N 2 2 379.549 0.215 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069769307 1184375199 /nfs/dbraw/zinc/37/51/99/1184375199.db2.gz WQNBQDPSTOYSCO-QUCCMNQESA-N 2 2 389.544 0.995 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000655352558 1184386841 /nfs/dbraw/zinc/38/68/41/1184386841.db2.gz MVKZIVGAQHEEMX-KURKYZTESA-N 2 2 378.517 0.300 20 0 GCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000655352558 1184386847 /nfs/dbraw/zinc/38/68/47/1184386847.db2.gz MVKZIVGAQHEEMX-KURKYZTESA-N 2 2 378.517 0.300 20 0 GCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000671950342 1184465346 /nfs/dbraw/zinc/46/53/46/1184465346.db2.gz BTNNNMSMHFSBMB-UHFFFAOYSA-N 3 2 393.576 0.604 20 0 GCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000671950342 1184465350 /nfs/dbraw/zinc/46/53/50/1184465350.db2.gz BTNNNMSMHFSBMB-UHFFFAOYSA-N 3 2 393.576 0.604 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000275213810 1184554361 /nfs/dbraw/zinc/55/43/61/1184554361.db2.gz ILQORKNZLSJPFS-UHFFFAOYSA-N 2 2 391.491 0.546 20 0 GCADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000275251915 1184567368 /nfs/dbraw/zinc/56/73/68/1184567368.db2.gz PIFYMPZBXGRXSP-UHFFFAOYSA-N 2 2 382.530 0.369 20 0 GCADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000275251915 1184567372 /nfs/dbraw/zinc/56/73/72/1184567372.db2.gz PIFYMPZBXGRXSP-UHFFFAOYSA-N 2 2 382.530 0.369 20 0 GCADLP CCCN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000647033282 1184788812 /nfs/dbraw/zinc/78/88/12/1184788812.db2.gz USKIUDVJEIJEQU-KURKYZTESA-N 2 2 380.533 0.689 20 0 GCADLP CCCN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647033282 1184788819 /nfs/dbraw/zinc/78/88/19/1184788819.db2.gz USKIUDVJEIJEQU-KURKYZTESA-N 2 2 380.533 0.689 20 0 GCADLP COC1(CO)CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000683678719 1184880987 /nfs/dbraw/zinc/88/09/87/1184880987.db2.gz DEWBRIKYBLSSFE-UHFFFAOYSA-N 2 2 391.512 0.608 20 0 GCADLP Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000275711887 1184947293 /nfs/dbraw/zinc/94/72/93/1184947293.db2.gz QCDGSUVYEAALFF-UHFFFAOYSA-N 2 2 389.500 0.517 20 0 GCADLP Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275711887 1184947298 /nfs/dbraw/zinc/94/72/98/1184947298.db2.gz QCDGSUVYEAALFF-UHFFFAOYSA-N 2 2 389.500 0.517 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000970688120 1184964753 /nfs/dbraw/zinc/96/47/53/1184964753.db2.gz DMOMIWOQJLTASA-ANQUJSFKSA-N 2 2 389.500 0.086 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000656072324 1185008449 /nfs/dbraw/zinc/00/84/49/1185008449.db2.gz KOXIAMTYEQYBOY-UHFFFAOYSA-N 2 2 381.565 0.415 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000656072324 1185008457 /nfs/dbraw/zinc/00/84/57/1185008457.db2.gz KOXIAMTYEQYBOY-UHFFFAOYSA-N 2 2 381.565 0.415 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000656086534 1185023608 /nfs/dbraw/zinc/02/36/08/1185023608.db2.gz BBPDEUQZMITHMP-UHFFFAOYSA-N 2 2 383.581 0.661 20 0 GCADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCC[NH+]2CCCOCC2)c1 ZINC000275799747 1185076384 /nfs/dbraw/zinc/07/63/84/1185076384.db2.gz IFQVDPJNCCNITJ-SFHVURJKSA-N 2 2 389.500 0.980 20 0 GCADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCC[NH+]2CCCOCC2)c1 ZINC000275799747 1185076389 /nfs/dbraw/zinc/07/63/89/1185076389.db2.gz IFQVDPJNCCNITJ-SFHVURJKSA-N 2 2 389.500 0.980 20 0 GCADLP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000275799747 1185076394 /nfs/dbraw/zinc/07/63/94/1185076394.db2.gz IFQVDPJNCCNITJ-SFHVURJKSA-N 2 2 389.500 0.980 20 0 GCADLP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000275799747 1185076400 /nfs/dbraw/zinc/07/64/00/1185076400.db2.gz IFQVDPJNCCNITJ-SFHVURJKSA-N 2 2 389.500 0.980 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000066568197 1185149147 /nfs/dbraw/zinc/14/91/47/1185149147.db2.gz RGYVXCGZPGAPFL-UHFFFAOYSA-N 2 2 379.505 0.241 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C[C@H]2[NH3+])cn1 ZINC000580435361 1185230636 /nfs/dbraw/zinc/23/06/36/1185230636.db2.gz WLEHIQQLXZSPIZ-LZLYRXPVSA-N 2 2 394.545 0.064 20 0 GCADLP COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000275892454 1185244680 /nfs/dbraw/zinc/24/46/80/1185244680.db2.gz NHHXHJQPEIZYDA-MRXNPFEDSA-N 2 2 392.500 0.761 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000275932840 1185314445 /nfs/dbraw/zinc/31/44/45/1185314445.db2.gz OBTFUAOQNNUJIS-HNNXBMFYSA-N 2 2 390.484 0.783 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000275932840 1185314451 /nfs/dbraw/zinc/31/44/51/1185314451.db2.gz OBTFUAOQNNUJIS-HNNXBMFYSA-N 2 2 390.484 0.783 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656283460 1185317668 /nfs/dbraw/zinc/31/76/68/1185317668.db2.gz APDQLPPAFOXVSB-YESZJQIVSA-N 2 2 382.549 0.981 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656283460 1185317677 /nfs/dbraw/zinc/31/76/77/1185317677.db2.gz APDQLPPAFOXVSB-YESZJQIVSA-N 2 2 382.549 0.981 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000656288632 1185337609 /nfs/dbraw/zinc/33/76/09/1185337609.db2.gz CXSKFFLVBKDXSG-KRWDZBQOSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304621 1185378752 /nfs/dbraw/zinc/37/87/52/1185378752.db2.gz CWQBDNPFXIATTO-XWTMOSNGSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304621 1185378757 /nfs/dbraw/zinc/37/87/57/1185378757.db2.gz CWQBDNPFXIATTO-XWTMOSNGSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337537 1185434251 /nfs/dbraw/zinc/43/42/51/1185434251.db2.gz UNMGXNQVTGSWPL-NCOADZHNSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337537 1185434265 /nfs/dbraw/zinc/43/42/65/1185434265.db2.gz UNMGXNQVTGSWPL-NCOADZHNSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337537 1185434272 /nfs/dbraw/zinc/43/42/72/1185434272.db2.gz UNMGXNQVTGSWPL-NCOADZHNSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000656343691 1185437633 /nfs/dbraw/zinc/43/76/33/1185437633.db2.gz OVGJKTKDNHQDMB-ZKXLYKBJSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000656343691 1185437636 /nfs/dbraw/zinc/43/76/36/1185437636.db2.gz OVGJKTKDNHQDMB-ZKXLYKBJSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343691 1185437639 /nfs/dbraw/zinc/43/76/39/1185437639.db2.gz OVGJKTKDNHQDMB-ZKXLYKBJSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343691 1185437642 /nfs/dbraw/zinc/43/76/42/1185437642.db2.gz OVGJKTKDNHQDMB-ZKXLYKBJSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342942 1185439151 /nfs/dbraw/zinc/43/91/51/1185439151.db2.gz IIUXQASCKWODPN-ILOCAZANSA-N 2 2 382.549 0.979 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342942 1185439153 /nfs/dbraw/zinc/43/91/53/1185439153.db2.gz IIUXQASCKWODPN-ILOCAZANSA-N 2 2 382.549 0.979 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342942 1185439156 /nfs/dbraw/zinc/43/91/56/1185439156.db2.gz IIUXQASCKWODPN-ILOCAZANSA-N 2 2 382.549 0.979 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656342942 1185439160 /nfs/dbraw/zinc/43/91/60/1185439160.db2.gz IIUXQASCKWODPN-ILOCAZANSA-N 2 2 382.549 0.979 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656353320 1185447640 /nfs/dbraw/zinc/44/76/40/1185447640.db2.gz AFDIUXFAIGMSKO-ROUUACIJSA-N 2 2 380.533 0.689 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656353320 1185447644 /nfs/dbraw/zinc/44/76/44/1185447644.db2.gz AFDIUXFAIGMSKO-ROUUACIJSA-N 2 2 380.533 0.689 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000656356511 1185456828 /nfs/dbraw/zinc/45/68/28/1185456828.db2.gz FECLFVDSUDCEGI-XMTFNYHQSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000656356511 1185456829 /nfs/dbraw/zinc/45/68/29/1185456829.db2.gz FECLFVDSUDCEGI-XMTFNYHQSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000656356511 1185456834 /nfs/dbraw/zinc/45/68/34/1185456834.db2.gz FECLFVDSUDCEGI-XMTFNYHQSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000656356511 1185456837 /nfs/dbraw/zinc/45/68/37/1185456837.db2.gz FECLFVDSUDCEGI-XMTFNYHQSA-N 2 2 380.533 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000581082090 1185490594 /nfs/dbraw/zinc/49/05/94/1185490594.db2.gz HFLWHXTUDYRFDN-RYQLBKOJSA-N 3 2 379.549 0.260 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581082090 1185490600 /nfs/dbraw/zinc/49/06/00/1185490600.db2.gz HFLWHXTUDYRFDN-RYQLBKOJSA-N 3 2 379.549 0.260 20 0 GCADLP CN(C(=O)C(=O)NCc1cncc(O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000933118156 1185549827 /nfs/dbraw/zinc/54/98/27/1185549827.db2.gz UXGGUJJEBPAOLU-INIZCTEOSA-N 2 2 375.473 0.030 20 0 GCADLP CN(C(=O)C(=O)NCc1cncc(O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000933118156 1185549833 /nfs/dbraw/zinc/54/98/33/1185549833.db2.gz UXGGUJJEBPAOLU-INIZCTEOSA-N 2 2 375.473 0.030 20 0 GCADLP CCc1onc(C)c1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000933144063 1185590236 /nfs/dbraw/zinc/59/02/36/1185590236.db2.gz XBSLDVUHYHTUDT-INIZCTEOSA-N 2 2 391.516 0.789 20 0 GCADLP CCc1onc(C)c1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000933144063 1185590243 /nfs/dbraw/zinc/59/02/43/1185590243.db2.gz XBSLDVUHYHTUDT-INIZCTEOSA-N 2 2 391.516 0.789 20 0 GCADLP CN(C[C@H]1CCCCO1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000581327299 1185598080 /nfs/dbraw/zinc/59/80/80/1185598080.db2.gz UEYQMASRAMJNHU-GOSISDBHSA-N 2 2 380.533 0.689 20 0 GCADLP CCOC1CC(CCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000558428174 1185608432 /nfs/dbraw/zinc/60/84/32/1185608432.db2.gz SRVMEITYSARZGT-UHFFFAOYSA-N 2 2 382.549 0.792 20 0 GCADLP CCOC1CC(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000558428174 1185608437 /nfs/dbraw/zinc/60/84/37/1185608437.db2.gz SRVMEITYSARZGT-UHFFFAOYSA-N 2 2 382.549 0.792 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000581362056 1185615799 /nfs/dbraw/zinc/61/57/99/1185615799.db2.gz OTYYFRRALGFJJL-UHFFFAOYSA-N 2 2 394.560 0.940 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000430568090 1185617021 /nfs/dbraw/zinc/61/70/21/1185617021.db2.gz GZSBIDGGODECRT-IHRRRGAJSA-N 2 2 380.514 0.671 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000430568090 1185617026 /nfs/dbraw/zinc/61/70/26/1185617026.db2.gz GZSBIDGGODECRT-IHRRRGAJSA-N 2 2 380.514 0.671 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000581383651 1185629458 /nfs/dbraw/zinc/62/94/58/1185629458.db2.gz QCEPEWLVHLFRCX-ROUUACIJSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000246427936 1185630585 /nfs/dbraw/zinc/63/05/85/1185630585.db2.gz WFAPJLCFGAFUTL-IAGOWNOFSA-N 2 2 375.521 0.580 20 0 GCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000246427936 1185630593 /nfs/dbraw/zinc/63/05/93/1185630593.db2.gz WFAPJLCFGAFUTL-IAGOWNOFSA-N 2 2 375.521 0.580 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000276202592 1185681341 /nfs/dbraw/zinc/68/13/41/1185681341.db2.gz ZEHOVZYEUZPLQC-RHSMWYFYSA-N 2 2 389.500 0.964 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000276202592 1185681343 /nfs/dbraw/zinc/68/13/43/1185681343.db2.gz ZEHOVZYEUZPLQC-RHSMWYFYSA-N 2 2 389.500 0.964 20 0 GCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419507101 1185693257 /nfs/dbraw/zinc/69/32/57/1185693257.db2.gz OULOYMRYSXLLCP-IAGOWNOFSA-N 2 2 391.491 0.450 20 0 GCADLP C[NH+](C)CCOCCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000471658260 1185695537 /nfs/dbraw/zinc/69/55/37/1185695537.db2.gz KRHVKDNCGYQLHB-UHFFFAOYSA-N 2 2 391.516 0.967 20 0 GCADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581499327 1185729435 /nfs/dbraw/zinc/72/94/35/1185729435.db2.gz ASPOUYXTDVMRJL-UNEWFSDZSA-N 2 2 394.903 0.810 20 0 GCADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581499327 1185729443 /nfs/dbraw/zinc/72/94/43/1185729443.db2.gz ASPOUYXTDVMRJL-UNEWFSDZSA-N 2 2 394.903 0.810 20 0 GCADLP C[NH+]1CCC(CNC(=O)NCc2ccn3cc[nH+]c3c2)(N2CCOCC2)CC1 ZINC000581535541 1185748462 /nfs/dbraw/zinc/74/84/62/1185748462.db2.gz QVFJHUFVKIMTOC-UHFFFAOYSA-N 2 2 386.500 0.930 20 0 GCADLP CCCN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000581657282 1185819002 /nfs/dbraw/zinc/81/90/02/1185819002.db2.gz BZLPNYZVXNDDEY-MSOLQXFVSA-N 2 2 380.533 0.737 20 0 GCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430645758 1185859633 /nfs/dbraw/zinc/85/96/33/1185859633.db2.gz OGCZXUBEOFUBNO-QGZVFWFLSA-N 2 2 394.541 0.451 20 0 GCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430645758 1185859637 /nfs/dbraw/zinc/85/96/37/1185859637.db2.gz OGCZXUBEOFUBNO-QGZVFWFLSA-N 2 2 394.541 0.451 20 0 GCADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CCCCC[N@H+]1C[C@H](C)N(CCO)C[C@@H]1C ZINC000581734416 1185871713 /nfs/dbraw/zinc/87/17/13/1185871713.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CCCCC[N@@H+]1C[C@H](C)N(CCO)C[C@@H]1C ZINC000581734416 1185871725 /nfs/dbraw/zinc/87/17/25/1185871725.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCCCC[NH+]1C[C@H](C)N(CCO)C[C@@H]1C ZINC000581734416 1185871734 /nfs/dbraw/zinc/87/17/34/1185871734.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCCCC[NH+]1C[C@H](C)N(CCO)C[C@@H]1C ZINC000581734416 1185871740 /nfs/dbraw/zinc/87/17/40/1185871740.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[N@H+](CCCCCN2C[C@H](C)[NH+](CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000581734416 1185871750 /nfs/dbraw/zinc/87/17/50/1185871750.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[N@@H+](CCCCCN2C[C@H](C)[NH+](CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000581734416 1185871759 /nfs/dbraw/zinc/87/17/59/1185871759.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCCCCN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000581734416 1185871766 /nfs/dbraw/zinc/87/17/66/1185871766.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCCCCN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000581734416 1185871773 /nfs/dbraw/zinc/87/17/73/1185871773.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 2 384.609 0.931 20 0 GCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891466049 1185880608 /nfs/dbraw/zinc/88/06/08/1185880608.db2.gz XWKQKUQJDQGZNZ-JXFKEZNVSA-N 2 2 386.500 0.704 20 0 GCADLP CC(C)(CNC(=O)C[NH2+][C@@](C)(CO)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000933442010 1185894613 /nfs/dbraw/zinc/89/46/13/1185894613.db2.gz QUBIOJZALRHUNT-HXUWFJFHSA-N 2 2 381.492 0.936 20 0 GCADLP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000891528250 1185905741 /nfs/dbraw/zinc/90/57/41/1185905741.db2.gz NVNWXRSAPLXVIY-LPHOPBHVSA-N 2 2 375.517 0.987 20 0 GCADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000430682155 1185956676 /nfs/dbraw/zinc/95/66/76/1185956676.db2.gz SDHXFCMLSIYSMG-UHFFFAOYSA-N 2 2 375.473 0.129 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430939930 1186060417 /nfs/dbraw/zinc/06/04/17/1186060417.db2.gz MYRHAXFGJUETOT-SJLPKXTDSA-N 2 2 394.541 0.330 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430939930 1186060426 /nfs/dbraw/zinc/06/04/26/1186060426.db2.gz MYRHAXFGJUETOT-SJLPKXTDSA-N 2 2 394.541 0.330 20 0 GCADLP CCCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CC[NH2+]C1 ZINC000430960913 1186070332 /nfs/dbraw/zinc/07/03/32/1186070332.db2.gz ANYJEXOOWUUXHZ-OAHLLOKOSA-N 2 2 386.504 0.086 20 0 GCADLP COc1ccccc1[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431030274 1186107792 /nfs/dbraw/zinc/10/77/92/1186107792.db2.gz KZKABDDDWGOUDY-SFHVURJKSA-N 2 2 384.484 0.814 20 0 GCADLP COc1cncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001087181434 1186117607 /nfs/dbraw/zinc/11/76/07/1186117607.db2.gz RFUHCYBFAGQZLX-XYVMCAHJSA-N 2 2 391.516 0.921 20 0 GCADLP COc1cncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001087181434 1186117612 /nfs/dbraw/zinc/11/76/12/1186117612.db2.gz RFUHCYBFAGQZLX-XYVMCAHJSA-N 2 2 391.516 0.921 20 0 GCADLP C[C@@H]1CN(C[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@H](C)O1 ZINC000563012126 1186132642 /nfs/dbraw/zinc/13/26/42/1186132642.db2.gz UNANFZGQFDOQQQ-SOXVBUEASA-N 2 2 382.549 0.130 20 0 GCADLP C[C@@H]1CN(C[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@H](C)O1 ZINC000563012126 1186132645 /nfs/dbraw/zinc/13/26/45/1186132645.db2.gz UNANFZGQFDOQQQ-SOXVBUEASA-N 2 2 382.549 0.130 20 0 GCADLP CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000276943321 1186166429 /nfs/dbraw/zinc/16/64/29/1186166429.db2.gz KHBBIZSWWHRDFQ-JKSUJKDBSA-N 2 2 387.488 0.559 20 0 GCADLP CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000276943311 1186167124 /nfs/dbraw/zinc/16/71/24/1186167124.db2.gz KHBBIZSWWHRDFQ-CVEARBPZSA-N 2 2 387.488 0.559 20 0 GCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000684586210 1186200388 /nfs/dbraw/zinc/20/03/88/1186200388.db2.gz HGBLNRAHNUTKQF-IAGOWNOFSA-N 2 2 399.561 0.281 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000933995186 1186209831 /nfs/dbraw/zinc/20/98/31/1186209831.db2.gz AODRFJICDMTRJP-UHFFFAOYSA-N 2 2 387.572 0.818 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000933995186 1186209836 /nfs/dbraw/zinc/20/98/36/1186209836.db2.gz AODRFJICDMTRJP-UHFFFAOYSA-N 2 2 387.572 0.818 20 0 GCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000563097838 1186226310 /nfs/dbraw/zinc/22/63/10/1186226310.db2.gz HHNRFVFDXOAHJE-AEFFLSMTSA-N 2 2 388.512 0.986 20 0 GCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000563097838 1186226315 /nfs/dbraw/zinc/22/63/15/1186226315.db2.gz HHNRFVFDXOAHJE-AEFFLSMTSA-N 2 2 388.512 0.986 20 0 GCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000563097840 1186226840 /nfs/dbraw/zinc/22/68/40/1186226840.db2.gz HHNRFVFDXOAHJE-FUHWJXTLSA-N 2 2 388.512 0.986 20 0 GCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000563097840 1186226843 /nfs/dbraw/zinc/22/68/43/1186226843.db2.gz HHNRFVFDXOAHJE-FUHWJXTLSA-N 2 2 388.512 0.986 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCN3CC[NH2+]CC3)C2)cc1 ZINC000891973881 1186272497 /nfs/dbraw/zinc/27/24/97/1186272497.db2.gz YVCQEWBORLLVHN-IBGZPJMESA-N 2 2 375.517 0.400 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCN3CC[NH2+]CC3)C2)cc1 ZINC000891973881 1186272503 /nfs/dbraw/zinc/27/25/03/1186272503.db2.gz YVCQEWBORLLVHN-IBGZPJMESA-N 2 2 375.517 0.400 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000151342667 1186286682 /nfs/dbraw/zinc/28/66/82/1186286682.db2.gz NTNHOTRQMRDWMK-ROUUACIJSA-N 2 2 377.533 0.998 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000584295138 1186312791 /nfs/dbraw/zinc/31/27/91/1186312791.db2.gz RZGXOIVNUUGQAI-HNNXBMFYSA-N 2 2 386.504 0.086 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000582076192 1186399358 /nfs/dbraw/zinc/39/93/58/1186399358.db2.gz FQRKQWIJGWJVLH-RCCFBDPRSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000582076192 1186399364 /nfs/dbraw/zinc/39/93/64/1186399364.db2.gz FQRKQWIJGWJVLH-RCCFBDPRSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000582076190 1186399381 /nfs/dbraw/zinc/39/93/81/1186399381.db2.gz FQRKQWIJGWJVLH-KZNAEPCWSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000582076190 1186399384 /nfs/dbraw/zinc/39/93/84/1186399384.db2.gz FQRKQWIJGWJVLH-KZNAEPCWSA-N 2 2 382.549 0.791 20 0 GCADLP C[C@@H](c1cccc(NC(=O)C(=O)NCC[N@H+](C)CCO)c1)[NH+]1CCOCC1 ZINC000892219025 1186459508 /nfs/dbraw/zinc/45/95/08/1186459508.db2.gz NPIWXXXXWHSZEZ-HNNXBMFYSA-N 2 2 378.473 0.059 20 0 GCADLP C[C@@H](c1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)c1)[NH+]1CCOCC1 ZINC000892219025 1186459510 /nfs/dbraw/zinc/45/95/10/1186459510.db2.gz NPIWXXXXWHSZEZ-HNNXBMFYSA-N 2 2 378.473 0.059 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000582315903 1186492946 /nfs/dbraw/zinc/49/29/46/1186492946.db2.gz NNHITOURUSDOLL-RTBURBONSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000582315903 1186492950 /nfs/dbraw/zinc/49/29/50/1186492950.db2.gz NNHITOURUSDOLL-RTBURBONSA-N 3 2 391.560 0.404 20 0 GCADLP O=C(C[N@H+]1CCC[C@H](OCCO)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548733552 1186501790 /nfs/dbraw/zinc/50/17/90/1186501790.db2.gz WPVAYSZELJGECI-FQEVSTJZSA-N 2 2 391.512 0.608 20 0 GCADLP O=C(C[N@@H+]1CCC[C@H](OCCO)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548733552 1186501793 /nfs/dbraw/zinc/50/17/93/1186501793.db2.gz WPVAYSZELJGECI-FQEVSTJZSA-N 2 2 391.512 0.608 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[NH2+]C[C@](C)(F)C3)ccn2)CC1 ZINC000582408239 1186524035 /nfs/dbraw/zinc/52/40/35/1186524035.db2.gz NNQASWWXHQAHND-SFHVURJKSA-N 2 2 378.452 0.635 20 0 GCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000582538902 1186560480 /nfs/dbraw/zinc/56/04/80/1186560480.db2.gz KEFMIVOSUILOLU-LLLOQXOTSA-N 2 2 392.544 0.686 20 0 GCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000582538902 1186560483 /nfs/dbraw/zinc/56/04/83/1186560483.db2.gz KEFMIVOSUILOLU-LLLOQXOTSA-N 2 2 392.544 0.686 20 0 GCADLP C[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000563206601 1186564256 /nfs/dbraw/zinc/56/42/56/1186564256.db2.gz NUKHYKHAOMBXGT-AYOQOUSVSA-N 2 2 376.476 0.926 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000582563421 1186568376 /nfs/dbraw/zinc/56/83/76/1186568376.db2.gz XCRQJJUTSYIDAL-IRXDYDNUSA-N 2 2 396.532 0.319 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000582563421 1186568381 /nfs/dbraw/zinc/56/83/81/1186568381.db2.gz XCRQJJUTSYIDAL-IRXDYDNUSA-N 2 2 396.532 0.319 20 0 GCADLP C[NH+]1CCC(O)(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000077752537 1186654459 /nfs/dbraw/zinc/65/44/59/1186654459.db2.gz JNAULGHPJZXIAO-GOSISDBHSA-N 2 2 376.501 0.643 20 0 GCADLP C[NH+]1CCC(O)(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000077752537 1186654471 /nfs/dbraw/zinc/65/44/71/1186654471.db2.gz JNAULGHPJZXIAO-GOSISDBHSA-N 2 2 376.501 0.643 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000472264243 1186688343 /nfs/dbraw/zinc/68/83/43/1186688343.db2.gz JXKLIEJHIWLKFV-MRXNPFEDSA-N 2 2 398.529 0.705 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000472264243 1186688347 /nfs/dbraw/zinc/68/83/47/1186688347.db2.gz JXKLIEJHIWLKFV-MRXNPFEDSA-N 2 2 398.529 0.705 20 0 GCADLP CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000582847700 1186711025 /nfs/dbraw/zinc/71/10/25/1186711025.db2.gz BQUSBLKBXZJCAN-KURKYZTESA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000582847700 1186711029 /nfs/dbraw/zinc/71/10/29/1186711029.db2.gz BQUSBLKBXZJCAN-KURKYZTESA-N 2 2 380.533 0.687 20 0 GCADLP Cc1nccnc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685049436 1186728831 /nfs/dbraw/zinc/72/88/31/1186728831.db2.gz MUCXYEPYFDGKBA-QGZVFWFLSA-N 2 2 387.532 0.785 20 0 GCADLP Cc1nccnc1N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685049436 1186728833 /nfs/dbraw/zinc/72/88/33/1186728833.db2.gz MUCXYEPYFDGKBA-QGZVFWFLSA-N 2 2 387.532 0.785 20 0 GCADLP CC(C)[C@H](CCO)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000161917178 1186737110 /nfs/dbraw/zinc/73/71/10/1186737110.db2.gz KSDGYUXWVOBIBG-HNNXBMFYSA-N 2 2 375.477 0.009 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000685068370 1186754530 /nfs/dbraw/zinc/75/45/30/1186754530.db2.gz PLMNTOLDVQSFCR-HOCLYGCPSA-N 2 2 393.557 0.990 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000685068370 1186754534 /nfs/dbraw/zinc/75/45/34/1186754534.db2.gz PLMNTOLDVQSFCR-HOCLYGCPSA-N 2 2 393.557 0.990 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000685068371 1186754895 /nfs/dbraw/zinc/75/48/95/1186754895.db2.gz PLMNTOLDVQSFCR-ZBFHGGJFSA-N 2 2 393.557 0.990 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000685068371 1186754901 /nfs/dbraw/zinc/75/49/01/1186754901.db2.gz PLMNTOLDVQSFCR-ZBFHGGJFSA-N 2 2 393.557 0.990 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000472278086 1186757578 /nfs/dbraw/zinc/75/75/78/1186757578.db2.gz QZFDVBNJASFHLH-MRXNPFEDSA-N 2 2 398.529 0.705 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000472278086 1186757580 /nfs/dbraw/zinc/75/75/80/1186757580.db2.gz QZFDVBNJASFHLH-MRXNPFEDSA-N 2 2 398.529 0.705 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000583107570 1186771602 /nfs/dbraw/zinc/77/16/02/1186771602.db2.gz YTCOADXWYDSBGB-IBGZPJMESA-N 3 2 390.576 0.934 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000583107570 1186771603 /nfs/dbraw/zinc/77/16/03/1186771603.db2.gz YTCOADXWYDSBGB-IBGZPJMESA-N 3 2 390.576 0.934 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC[C@H]21 ZINC000657741356 1186794005 /nfs/dbraw/zinc/79/40/05/1186794005.db2.gz JRNWDAVLYSYRDQ-KZNAEPCWSA-N 2 2 378.517 0.252 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC[C@H]21 ZINC000657741356 1186794007 /nfs/dbraw/zinc/79/40/07/1186794007.db2.gz JRNWDAVLYSYRDQ-KZNAEPCWSA-N 2 2 378.517 0.252 20 0 GCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000292445271 1186799871 /nfs/dbraw/zinc/79/98/71/1186799871.db2.gz OWICYVCWIUDULS-SJLPKXTDSA-N 2 2 380.558 0.779 20 0 GCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000292445271 1186799876 /nfs/dbraw/zinc/79/98/76/1186799876.db2.gz OWICYVCWIUDULS-SJLPKXTDSA-N 2 2 380.558 0.779 20 0 GCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743346 1186800621 /nfs/dbraw/zinc/80/06/21/1186800621.db2.gz APNMERHMYIDYIQ-ROUUACIJSA-N 2 2 380.533 0.500 20 0 GCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743346 1186800627 /nfs/dbraw/zinc/80/06/27/1186800627.db2.gz APNMERHMYIDYIQ-ROUUACIJSA-N 2 2 380.533 0.500 20 0 GCADLP O=C(COC1CC[NH2+]CC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583259723 1186809927 /nfs/dbraw/zinc/80/99/27/1186809927.db2.gz BXZHCOVJSUHWLE-UHFFFAOYSA-N 2 2 375.473 0.005 20 0 GCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000685131309 1186846024 /nfs/dbraw/zinc/84/60/24/1186846024.db2.gz YOLFMAXHWVXVCT-UHFFFAOYSA-N 2 2 387.488 0.548 20 0 GCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158421 1186890966 /nfs/dbraw/zinc/89/09/66/1186890966.db2.gz UQKNNICZTZXOTC-LPHOPBHVSA-N 3 2 398.573 0.634 20 0 GCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158421 1186890971 /nfs/dbraw/zinc/89/09/71/1186890971.db2.gz UQKNNICZTZXOTC-LPHOPBHVSA-N 3 2 398.573 0.634 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000583585751 1186892491 /nfs/dbraw/zinc/89/24/91/1186892491.db2.gz NWJMZONRJQNMQO-QZTJIDSGSA-N 2 2 394.560 0.936 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000583585751 1186892496 /nfs/dbraw/zinc/89/24/96/1186892496.db2.gz NWJMZONRJQNMQO-QZTJIDSGSA-N 2 2 394.560 0.936 20 0 GCADLP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000685176405 1186912062 /nfs/dbraw/zinc/91/20/62/1186912062.db2.gz BSJBZRBZQSJUBB-CHWSQXEVSA-N 2 2 382.427 0.212 20 0 GCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000685176405 1186912064 /nfs/dbraw/zinc/91/20/64/1186912064.db2.gz BSJBZRBZQSJUBB-CHWSQXEVSA-N 2 2 382.427 0.212 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)CCC(F)(F)F ZINC000685176405 1186912066 /nfs/dbraw/zinc/91/20/66/1186912066.db2.gz BSJBZRBZQSJUBB-CHWSQXEVSA-N 2 2 382.427 0.212 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)CCC(F)(F)F ZINC000685176405 1186912068 /nfs/dbraw/zinc/91/20/68/1186912068.db2.gz BSJBZRBZQSJUBB-CHWSQXEVSA-N 2 2 382.427 0.212 20 0 GCADLP CC(C)C[C@H](CCO)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685179190 1186914972 /nfs/dbraw/zinc/91/49/72/1186914972.db2.gz XOGHFRHUZCPYSV-HKUYNNGSSA-N 2 2 396.576 0.774 20 0 GCADLP CC(C)C[C@H](CCO)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685179190 1186914973 /nfs/dbraw/zinc/91/49/73/1186914973.db2.gz XOGHFRHUZCPYSV-HKUYNNGSSA-N 2 2 396.576 0.774 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000583718973 1186926340 /nfs/dbraw/zinc/92/63/40/1186926340.db2.gz NUGSLBMLYOBTIS-HOTGVXAUSA-N 2 2 377.489 0.273 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583749253 1186930961 /nfs/dbraw/zinc/93/09/61/1186930961.db2.gz AIHMYUJMAZAWFK-ROUUACIJSA-N 2 2 384.484 0.661 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583749253 1186930964 /nfs/dbraw/zinc/93/09/64/1186930964.db2.gz AIHMYUJMAZAWFK-ROUUACIJSA-N 2 2 384.484 0.661 20 0 GCADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CC1 ZINC000583753441 1186932246 /nfs/dbraw/zinc/93/22/46/1186932246.db2.gz CEGTWEOWINQMIU-GOSISDBHSA-N 2 2 398.504 0.376 20 0 GCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250291445 1186936703 /nfs/dbraw/zinc/93/67/03/1186936703.db2.gz TVJCUKCSTMVANN-FGTMMUONSA-N 2 2 393.576 0.589 20 0 GCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250291445 1186936705 /nfs/dbraw/zinc/93/67/05/1186936705.db2.gz TVJCUKCSTMVANN-FGTMMUONSA-N 2 2 393.576 0.589 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000685231982 1186960915 /nfs/dbraw/zinc/96/09/15/1186960915.db2.gz GEJRIWRXRQPLDZ-FGTMMUONSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000685231982 1186960917 /nfs/dbraw/zinc/96/09/17/1186960917.db2.gz GEJRIWRXRQPLDZ-FGTMMUONSA-N 2 2 380.533 0.687 20 0 GCADLP COc1ccc([C@H](CNC(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)[NH+]2CCCCC2)cc1 ZINC000278543344 1186973254 /nfs/dbraw/zinc/97/32/54/1186973254.db2.gz AIWROIRHBJBJCL-IPMKNSEASA-N 2 2 377.485 0.376 20 0 GCADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001719735697 1186988918 /nfs/dbraw/zinc/98/89/18/1186988918.db2.gz DFJAJEYDHARKQM-QBPKDAKJSA-N 2 2 391.516 0.313 20 0 GCADLP CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000584221374 1187016979 /nfs/dbraw/zinc/01/69/79/1187016979.db2.gz XEDDIGNWDOTFPW-OALUTQOASA-N 2 2 375.517 0.214 20 0 GCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000584351459 1187037445 /nfs/dbraw/zinc/03/74/45/1187037445.db2.gz JUCYXZIYHDRRIX-QYZOEREBSA-N 2 2 397.541 0.044 20 0 GCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000584351459 1187037447 /nfs/dbraw/zinc/03/74/47/1187037447.db2.gz JUCYXZIYHDRRIX-QYZOEREBSA-N 2 2 397.541 0.044 20 0 GCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000081334848 1187044526 /nfs/dbraw/zinc/04/45/26/1187044526.db2.gz GWEPWNWAQBDTHN-QZTJIDSGSA-N 2 2 380.533 0.357 20 0 GCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000081364190 1187045756 /nfs/dbraw/zinc/04/57/56/1187045756.db2.gz GMRKGZSBESOIBO-QZTJIDSGSA-N 2 2 380.533 0.357 20 0 GCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000081364190 1187045759 /nfs/dbraw/zinc/04/57/59/1187045759.db2.gz GMRKGZSBESOIBO-QZTJIDSGSA-N 2 2 380.533 0.357 20 0 GCADLP CN(C(=O)C[C@H]1CCCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000087318232 1187056262 /nfs/dbraw/zinc/05/62/62/1187056262.db2.gz VZZRKDKIGSDIPW-GOSISDBHSA-N 2 2 380.533 0.642 20 0 GCADLP C[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000584422192 1187056722 /nfs/dbraw/zinc/05/67/22/1187056722.db2.gz PNCYRJFLUPMQCE-FHLIZLRMSA-N 2 2 389.475 0.107 20 0 GCADLP C[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000584422195 1187056787 /nfs/dbraw/zinc/05/67/87/1187056787.db2.gz PNCYRJFLUPMQCE-ZTFGCOKTSA-N 2 2 389.475 0.107 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000635554357 1187076294 /nfs/dbraw/zinc/07/62/94/1187076294.db2.gz MIIPQROBUAVPRY-INIZCTEOSA-N 2 2 388.516 0.740 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000635554357 1187076300 /nfs/dbraw/zinc/07/63/00/1187076300.db2.gz MIIPQROBUAVPRY-INIZCTEOSA-N 2 2 388.516 0.740 20 0 GCADLP O=C(CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000139032079 1187078773 /nfs/dbraw/zinc/07/87/73/1187078773.db2.gz BDYMMFZCIYEOSZ-KRWDZBQOSA-N 2 2 386.500 0.610 20 0 GCADLP O=C(CC[N@H+]1CCC[C@H](N2CCNC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000139032079 1187078775 /nfs/dbraw/zinc/07/87/75/1187078775.db2.gz BDYMMFZCIYEOSZ-KRWDZBQOSA-N 2 2 386.500 0.610 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000511262887 1187094491 /nfs/dbraw/zinc/09/44/91/1187094491.db2.gz WCCDXDFQIBAUBU-QGZVFWFLSA-N 2 2 386.504 0.963 20 0 GCADLP O=C(Cn1cnnn1)N1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000685454569 1187131456 /nfs/dbraw/zinc/13/14/56/1187131456.db2.gz VOKMCQQHLLSNSX-UHFFFAOYSA-N 2 2 399.499 0.492 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001023979176 1187210392 /nfs/dbraw/zinc/21/03/92/1187210392.db2.gz RPPPZHOYJDZQMH-YLFCFFPRSA-N 2 2 391.516 0.345 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2O)CC[N@H+]1C ZINC001023979176 1187210401 /nfs/dbraw/zinc/21/04/01/1187210401.db2.gz RPPPZHOYJDZQMH-YLFCFFPRSA-N 2 2 391.516 0.345 20 0 GCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658262185 1187262707 /nfs/dbraw/zinc/26/27/07/1187262707.db2.gz ATVPJFVZDLNLNP-OAHLLOKOSA-N 2 2 392.504 0.143 20 0 GCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658262185 1187262710 /nfs/dbraw/zinc/26/27/10/1187262710.db2.gz ATVPJFVZDLNLNP-OAHLLOKOSA-N 2 2 392.504 0.143 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000658424049 1187294364 /nfs/dbraw/zinc/29/43/64/1187294364.db2.gz YLTDMZIQGLQUPH-HNNXBMFYSA-N 2 2 389.500 0.469 20 0 GCADLP Cc1nc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736202 1187386796 /nfs/dbraw/zinc/38/67/96/1187386796.db2.gz SMURRSXLJGHMLO-HNNXBMFYSA-N 2 2 385.472 0.261 20 0 GCADLP Cc1nc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736202 1187386800 /nfs/dbraw/zinc/38/68/00/1187386800.db2.gz SMURRSXLJGHMLO-HNNXBMFYSA-N 2 2 385.472 0.261 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCc2ccc(O)cc2C1 ZINC000658684684 1187411839 /nfs/dbraw/zinc/41/18/39/1187411839.db2.gz JRXILODPJMOOCN-UHFFFAOYSA-N 2 2 388.512 0.761 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCc2ccc(O)cc2C1 ZINC000658684684 1187411844 /nfs/dbraw/zinc/41/18/44/1187411844.db2.gz JRXILODPJMOOCN-UHFFFAOYSA-N 2 2 388.512 0.761 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCN(C)CC1 ZINC000612337294 1187465842 /nfs/dbraw/zinc/46/58/42/1187465842.db2.gz PRAWFGDQEMIOQZ-OALUTQOASA-N 2 2 381.565 0.765 20 0 GCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000375906483 1187482433 /nfs/dbraw/zinc/48/24/33/1187482433.db2.gz PHWVFBWHGMOKEL-ZDUSSCGKSA-N 2 2 379.427 0.475 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612440700 1187490591 /nfs/dbraw/zinc/49/05/91/1187490591.db2.gz UUUAXGJKWRQOMB-IEBWSBKVSA-N 2 2 392.544 0.833 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612440700 1187490594 /nfs/dbraw/zinc/49/05/94/1187490594.db2.gz UUUAXGJKWRQOMB-IEBWSBKVSA-N 2 2 392.544 0.833 20 0 GCADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612440699 1187490684 /nfs/dbraw/zinc/49/06/84/1187490684.db2.gz UUUAXGJKWRQOMB-HKUYNNGSSA-N 2 2 392.544 0.833 20 0 GCADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612440699 1187490687 /nfs/dbraw/zinc/49/06/87/1187490687.db2.gz UUUAXGJKWRQOMB-HKUYNNGSSA-N 2 2 392.544 0.833 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+](C)C1 ZINC000413896065 1187573538 /nfs/dbraw/zinc/57/35/38/1187573538.db2.gz FVYUCQFRCWBKAW-RBUKOAKNSA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+](C)C1 ZINC000413896065 1187573540 /nfs/dbraw/zinc/57/35/40/1187573540.db2.gz FVYUCQFRCWBKAW-RBUKOAKNSA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413896065 1187573542 /nfs/dbraw/zinc/57/35/42/1187573542.db2.gz FVYUCQFRCWBKAW-RBUKOAKNSA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413896065 1187573544 /nfs/dbraw/zinc/57/35/44/1187573544.db2.gz FVYUCQFRCWBKAW-RBUKOAKNSA-N 2 2 389.496 0.841 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000612777654 1187580281 /nfs/dbraw/zinc/58/02/81/1187580281.db2.gz YNVMBYQIGBUTCP-UHFFFAOYSA-N 2 2 394.560 0.794 20 0 GCADLP C[C@]1(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]C1 ZINC000612881345 1187611285 /nfs/dbraw/zinc/61/12/85/1187611285.db2.gz QODFFHLIGQIJBN-BEFAXECRSA-N 2 2 389.504 0.333 20 0 GCADLP C[C@]1(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]C1 ZINC000612881345 1187611289 /nfs/dbraw/zinc/61/12/89/1187611289.db2.gz QODFFHLIGQIJBN-BEFAXECRSA-N 2 2 389.504 0.333 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000612897068 1187611973 /nfs/dbraw/zinc/61/19/73/1187611973.db2.gz YUUXOCORGGYVAT-KURKYZTESA-N 2 2 383.496 0.929 20 0 GCADLP Cc1csc2ncc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(=O)n12 ZINC000376169322 1187643092 /nfs/dbraw/zinc/64/30/92/1187643092.db2.gz YLPKQTVUSSKZPN-CYBMUJFWSA-N 2 2 375.498 0.963 20 0 GCADLP Cc1csc2ncc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(=O)n12 ZINC000376169322 1187643095 /nfs/dbraw/zinc/64/30/95/1187643095.db2.gz YLPKQTVUSSKZPN-CYBMUJFWSA-N 2 2 375.498 0.963 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)CC2)CC1 ZINC000892522094 1187664746 /nfs/dbraw/zinc/66/47/46/1187664746.db2.gz PNVZGBISFJRLFV-UXHICEINSA-N 3 2 393.576 0.786 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)CC2)CC1 ZINC000892522094 1187664750 /nfs/dbraw/zinc/66/47/50/1187664750.db2.gz PNVZGBISFJRLFV-UXHICEINSA-N 3 2 393.576 0.786 20 0 GCADLP C[NH+](C)CC1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000376301159 1187753519 /nfs/dbraw/zinc/75/35/19/1187753519.db2.gz GNVLDROGRJHVCB-KRWDZBQOSA-N 2 2 380.533 0.405 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)CC1 ZINC000549046262 1187795631 /nfs/dbraw/zinc/79/56/31/1187795631.db2.gz JSKSQACIIHTZIZ-QZTJIDSGSA-N 2 2 377.533 0.998 20 0 GCADLP CC1(C)OC[C@H](C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)O1 ZINC000892594454 1187805960 /nfs/dbraw/zinc/80/59/60/1187805960.db2.gz LWUNSGYKLNLYLU-HNNXBMFYSA-N 2 2 384.502 0.275 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)C2)c1 ZINC000892609347 1187825653 /nfs/dbraw/zinc/82/56/53/1187825653.db2.gz NSBCFLFYMKYZAA-QXAKKESOSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)C2)c1 ZINC000892609347 1187825655 /nfs/dbraw/zinc/82/56/55/1187825655.db2.gz NSBCFLFYMKYZAA-QXAKKESOSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)C2)c1 ZINC000892609346 1187825877 /nfs/dbraw/zinc/82/58/77/1187825877.db2.gz NSBCFLFYMKYZAA-QRQLOZEOSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)C2)c1 ZINC000892609346 1187825881 /nfs/dbraw/zinc/82/58/81/1187825881.db2.gz NSBCFLFYMKYZAA-QRQLOZEOSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000892611555 1187827404 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ZXCVMIBITRUDRS-UHFFFAOYSA-N 2 2 377.514 0.461 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345055 1187945377 /nfs/dbraw/zinc/94/53/77/1187945377.db2.gz VRMHIKUHLRQYKK-IEBWSBKVSA-N 3 2 393.576 0.602 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345055 1187945378 /nfs/dbraw/zinc/94/53/78/1187945378.db2.gz VRMHIKUHLRQYKK-IEBWSBKVSA-N 3 2 393.576 0.602 20 0 GCADLP CO[C@@]1(C)CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345005 1187945669 /nfs/dbraw/zinc/94/56/69/1187945669.db2.gz PJFSAXBNUMQYOY-PXNSSMCTSA-N 2 2 380.533 0.641 20 0 GCADLP CO[C@@]1(C)CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345005 1187945671 /nfs/dbraw/zinc/94/56/71/1187945671.db2.gz PJFSAXBNUMQYOY-PXNSSMCTSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)C(=O)N1CCOC2(CCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344848 1187946040 /nfs/dbraw/zinc/94/60/40/1187946040.db2.gz MRKRTJQMKWJWFJ-KRWDZBQOSA-N 2 2 378.517 0.395 20 0 GCADLP CN(C(=O)C(=O)N1CCOC2(CCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344848 1187946041 /nfs/dbraw/zinc/94/60/41/1187946041.db2.gz MRKRTJQMKWJWFJ-KRWDZBQOSA-N 2 2 378.517 0.395 20 0 GCADLP CN(C[C@H]1CCCCO1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344588 1187946069 /nfs/dbraw/zinc/94/60/69/1187946069.db2.gz HQRXHWIQTFHNMJ-QZTJIDSGSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C[C@H]1CCCCO1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344588 1187946073 /nfs/dbraw/zinc/94/60/73/1187946073.db2.gz HQRXHWIQTFHNMJ-QZTJIDSGSA-N 2 2 380.533 0.641 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C2CC2)O1 ZINC000659344538 1187946527 /nfs/dbraw/zinc/94/65/27/1187946527.db2.gz CLFBNNJZBRXOQT-LZQZEXGQSA-N 2 2 392.544 0.639 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C2CC2)O1 ZINC000659344538 1187946528 /nfs/dbraw/zinc/94/65/28/1187946528.db2.gz CLFBNNJZBRXOQT-LZQZEXGQSA-N 2 2 392.544 0.639 20 0 GCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000659344560 1187946665 /nfs/dbraw/zinc/94/66/65/1187946665.db2.gz FWUFCQZTURBDAW-SFHVURJKSA-N 3 2 379.549 0.166 20 0 GCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000659344560 1187946669 /nfs/dbraw/zinc/94/66/69/1187946669.db2.gz FWUFCQZTURBDAW-SFHVURJKSA-N 3 2 379.549 0.166 20 0 GCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344560 1187946671 /nfs/dbraw/zinc/94/66/71/1187946671.db2.gz FWUFCQZTURBDAW-SFHVURJKSA-N 3 2 379.549 0.166 20 0 GCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344560 1187946674 /nfs/dbraw/zinc/94/66/74/1187946674.db2.gz FWUFCQZTURBDAW-SFHVURJKSA-N 3 2 379.549 0.166 20 0 GCADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000376587136 1187954692 /nfs/dbraw/zinc/95/46/92/1187954692.db2.gz YZIMIQZDUXOJFO-ZWKOTPCHSA-N 2 2 387.532 0.867 20 0 GCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000659424842 1187956558 /nfs/dbraw/zinc/95/65/58/1187956558.db2.gz GZMNEYVSIWUUJW-INIZCTEOSA-N 2 2 386.456 0.341 20 0 GCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000659424842 1187956559 /nfs/dbraw/zinc/95/65/59/1187956559.db2.gz GZMNEYVSIWUUJW-INIZCTEOSA-N 2 2 386.456 0.341 20 0 GCADLP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650967919 1187957027 /nfs/dbraw/zinc/95/70/27/1187957027.db2.gz CITOFQNLWIUYEC-GOSISDBHSA-N 2 2 380.533 0.730 20 0 GCADLP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650967919 1187957030 /nfs/dbraw/zinc/95/70/30/1187957030.db2.gz CITOFQNLWIUYEC-GOSISDBHSA-N 2 2 380.533 0.730 20 0 GCADLP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000659454058 1187959761 /nfs/dbraw/zinc/95/97/61/1187959761.db2.gz CWLRCQAJEPOSTA-HNNXBMFYSA-N 2 2 391.520 0.661 20 0 GCADLP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000659454058 1187959765 /nfs/dbraw/zinc/95/97/65/1187959765.db2.gz CWLRCQAJEPOSTA-HNNXBMFYSA-N 2 2 391.520 0.661 20 0 GCADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659551596 1187970897 /nfs/dbraw/zinc/97/08/97/1187970897.db2.gz WXQJLBNNXCYPCI-OALUTQOASA-N 2 2 375.517 0.480 20 0 GCADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659551596 1187970902 /nfs/dbraw/zinc/97/09/02/1187970902.db2.gz WXQJLBNNXCYPCI-OALUTQOASA-N 2 2 375.517 0.480 20 0 GCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000659685309 1187996201 /nfs/dbraw/zinc/99/62/01/1187996201.db2.gz LHMUQDGZYQSING-CQSZACIVSA-N 2 2 381.908 0.302 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000659684751 1187996402 /nfs/dbraw/zinc/99/64/02/1187996402.db2.gz LBCJRUXXPRDKMW-MOPGFXCFSA-N 2 2 394.560 0.698 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000659684752 1187996480 /nfs/dbraw/zinc/99/64/80/1187996480.db2.gz LBCJRUXXPRDKMW-OALUTQOASA-N 2 2 394.560 0.698 20 0 GCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000659686791 1187997495 /nfs/dbraw/zinc/99/74/95/1187997495.db2.gz JPSIWOAUHTYCQQ-UHFFFAOYSA-N 2 2 392.500 0.210 20 0 GCADLP CCCNC(=O)C1CC[NH+](CC(O)C[NH+]2CCC(C(=O)NCCC)CC2)CC1 ZINC000181800291 1188067734 /nfs/dbraw/zinc/06/77/34/1188067734.db2.gz DTJDSMDXIXHMFM-UHFFFAOYSA-N 2 2 396.576 0.824 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000415395780 1188071009 /nfs/dbraw/zinc/07/10/09/1188071009.db2.gz OIYCSQJSBWTGJU-GOSISDBHSA-N 2 2 387.528 0.831 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@H]3C[NH2+]C)cc2)CC1 ZINC000415490417 1188090843 /nfs/dbraw/zinc/09/08/43/1188090843.db2.gz YJLGMPRXKBKORG-IBGZPJMESA-N 2 2 387.528 0.973 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000415517402 1188097313 /nfs/dbraw/zinc/09/73/13/1188097313.db2.gz HKKZNUDLVBKRBJ-AEFFLSMTSA-N 2 2 387.528 0.958 20 0 GCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000415551862 1188104415 /nfs/dbraw/zinc/10/44/15/1188104415.db2.gz DXKHYHGFWLZZHO-LSDHHAIUSA-N 2 2 387.484 0.222 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000415574216 1188110093 /nfs/dbraw/zinc/11/00/93/1188110093.db2.gz CZZYAOZJBXNHNL-YSIASYRMSA-N 2 2 399.539 0.958 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415778185 1188162840 /nfs/dbraw/zinc/16/28/40/1188162840.db2.gz JGAAUPVHAFMHBO-IEBWSBKVSA-N 2 2 385.512 0.583 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@@H]1C[NH3+] ZINC000415837327 1189376115 /nfs/dbraw/zinc/37/61/15/1189376115.db2.gz CMIMELPHXNPLEV-AEFFLSMTSA-N 2 2 387.528 0.816 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415847272 1189380001 /nfs/dbraw/zinc/38/00/01/1189380001.db2.gz KYAHBTRSPBMCEV-ZFWWWQNUSA-N 2 2 375.473 0.608 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000415866738 1189388146 /nfs/dbraw/zinc/38/81/46/1189388146.db2.gz OPONSVJUOODQCH-INMHGKMJSA-N 2 2 390.484 0.339 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415872997 1189393713 /nfs/dbraw/zinc/39/37/13/1189393713.db2.gz UCXDJAOJPIKUQV-QZTJIDSGSA-N 2 2 385.512 0.440 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415979681 1189411480 /nfs/dbraw/zinc/41/14/80/1189411480.db2.gz XMQYDFHRKHTLTC-UHFFFAOYSA-N 2 2 397.483 0.902 20 0 GCADLP COCC(=O)NC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000613687671 1189427439 /nfs/dbraw/zinc/42/74/39/1189427439.db2.gz HLSLJKADXLWOEW-INIZCTEOSA-N 2 2 389.500 0.346 20 0 GCADLP Cc1cc(C(=O)NC2CC[NH+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)no1 ZINC000378351994 1189488183 /nfs/dbraw/zinc/48/81/83/1189488183.db2.gz VLADJXOTWDDUJT-UHFFFAOYSA-N 2 2 399.499 0.919 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000431867061 1189500196 /nfs/dbraw/zinc/50/01/96/1189500196.db2.gz JCCLDFPIYJYQPH-UHFFFAOYSA-N 2 2 375.473 0.767 20 0 GCADLP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363832231 1189511041 /nfs/dbraw/zinc/51/10/41/1189511041.db2.gz YKLYYTLPUIUUIU-HXUWFJFHSA-N 3 2 394.608 0.822 20 0 GCADLP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363832231 1189511044 /nfs/dbraw/zinc/51/10/44/1189511044.db2.gz YKLYYTLPUIUUIU-HXUWFJFHSA-N 3 2 394.608 0.822 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000511570516 1189557144 /nfs/dbraw/zinc/55/71/44/1189557144.db2.gz DTBSHPRNRJQYEK-KBAYOESNSA-N 2 2 381.480 0.951 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000511570516 1189557149 /nfs/dbraw/zinc/55/71/49/1189557149.db2.gz DTBSHPRNRJQYEK-KBAYOESNSA-N 2 2 381.480 0.951 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)C2)CC1 ZINC000363901658 1189560540 /nfs/dbraw/zinc/56/05/40/1189560540.db2.gz KFWDKTWZJNKDNB-INIZCTEOSA-N 2 2 399.495 0.795 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)C2)CC1 ZINC000363901658 1189560542 /nfs/dbraw/zinc/56/05/42/1189560542.db2.gz KFWDKTWZJNKDNB-INIZCTEOSA-N 2 2 399.495 0.795 20 0 GCADLP COc1ncc(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363904556 1189563175 /nfs/dbraw/zinc/56/31/75/1189563175.db2.gz NMTZFSUGJYSWHC-CQSZACIVSA-N 2 2 375.473 0.622 20 0 GCADLP COc1ncc(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363904556 1189563177 /nfs/dbraw/zinc/56/31/77/1189563177.db2.gz NMTZFSUGJYSWHC-CQSZACIVSA-N 2 2 375.473 0.622 20 0 GCADLP CC(C)(CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCOCC1 ZINC000416812205 1189586038 /nfs/dbraw/zinc/58/60/38/1189586038.db2.gz DHWRYJLNEOLZSW-ZDUSSCGKSA-N 2 2 381.443 0.233 20 0 GCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001111787069 1189587692 /nfs/dbraw/zinc/58/76/92/1189587692.db2.gz YYAQRIGXQRCQME-YZLZLFLDSA-N 2 2 380.533 0.593 20 0 GCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001111787069 1189587699 /nfs/dbraw/zinc/58/76/99/1189587699.db2.gz YYAQRIGXQRCQME-YZLZLFLDSA-N 2 2 380.533 0.593 20 0 GCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001111787069 1189587705 /nfs/dbraw/zinc/58/77/05/1189587705.db2.gz YYAQRIGXQRCQME-YZLZLFLDSA-N 2 2 380.533 0.593 20 0 GCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001111787069 1189587709 /nfs/dbraw/zinc/58/77/09/1189587709.db2.gz YYAQRIGXQRCQME-YZLZLFLDSA-N 2 2 380.533 0.593 20 0 GCADLP O=C(NCCCN1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416861147 1189589232 /nfs/dbraw/zinc/58/92/32/1189589232.db2.gz JIWTUMQDGKMJKP-UHFFFAOYSA-N 2 2 375.517 0.613 20 0 GCADLP CN(C(=O)c1cn(CC2(C)COC2)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363971086 1189597571 /nfs/dbraw/zinc/59/75/71/1189597571.db2.gz XRDSBHPNHGIWMI-MRXNPFEDSA-N 2 2 376.505 0.555 20 0 GCADLP CN(C(=O)c1cn(CC2(C)COC2)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363971086 1189597574 /nfs/dbraw/zinc/59/75/74/1189597574.db2.gz XRDSBHPNHGIWMI-MRXNPFEDSA-N 2 2 376.505 0.555 20 0 GCADLP CC[NH2+]CC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000417151480 1189625555 /nfs/dbraw/zinc/62/55/55/1189625555.db2.gz GXLPFAKIERZPQH-UHFFFAOYSA-N 2 2 375.521 0.630 20 0 GCADLP C[NH2+]CCC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000417166476 1189627105 /nfs/dbraw/zinc/62/71/05/1189627105.db2.gz ZONAKYDGDRWHHZ-UHFFFAOYSA-N 2 2 375.521 0.630 20 0 GCADLP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660171260 1189632410 /nfs/dbraw/zinc/63/24/10/1189632410.db2.gz QRHKUFWDICJOTJ-RTBURBONSA-N 2 2 392.544 0.787 20 0 GCADLP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660171255 1189632504 /nfs/dbraw/zinc/63/25/04/1189632504.db2.gz QRHKUFWDICJOTJ-MOPGFXCFSA-N 2 2 392.544 0.787 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000368596995 1189641576 /nfs/dbraw/zinc/64/15/76/1189641576.db2.gz WJUXRBUGTCHFEU-UHFFFAOYSA-N 2 2 387.546 0.950 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417317225 1189643036 /nfs/dbraw/zinc/64/30/36/1189643036.db2.gz HSFRRGSAFKDRHB-GOSISDBHSA-N 2 2 391.516 0.100 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417361577 1189652420 /nfs/dbraw/zinc/65/24/20/1189652420.db2.gz CITULKKCZDIFEZ-INIZCTEOSA-N 2 2 376.505 0.793 20 0 GCADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417362668 1189652675 /nfs/dbraw/zinc/65/26/75/1189652675.db2.gz FEFHDUXGYIVMGG-IAGOWNOFSA-N 2 2 388.516 0.937 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417362189 1189653442 /nfs/dbraw/zinc/65/34/42/1189653442.db2.gz DMBAPEGMVXBRKE-IRXDYDNUSA-N 2 2 388.516 0.889 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417368202 1189654588 /nfs/dbraw/zinc/65/45/88/1189654588.db2.gz NRPRDRVZSCJTKY-MRXNPFEDSA-N 2 2 376.505 0.937 20 0 GCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+](C2CC2)C1 ZINC000582106787 1189666318 /nfs/dbraw/zinc/66/63/18/1189666318.db2.gz QCFGSXUGWBRDRF-KRWDZBQOSA-N 2 2 387.532 0.724 20 0 GCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+](C2CC2)C1 ZINC000582106787 1189666323 /nfs/dbraw/zinc/66/63/23/1189666323.db2.gz QCFGSXUGWBRDRF-KRWDZBQOSA-N 2 2 387.532 0.724 20 0 GCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417502901 1189674012 /nfs/dbraw/zinc/67/40/12/1189674012.db2.gz KGCSKQQDUOSBSR-CYBMUJFWSA-N 2 2 381.443 0.233 20 0 GCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417502901 1189674015 /nfs/dbraw/zinc/67/40/15/1189674015.db2.gz KGCSKQQDUOSBSR-CYBMUJFWSA-N 2 2 381.443 0.233 20 0 GCADLP C[C@H]([C@H](C)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCOCC1 ZINC000417517964 1189675943 /nfs/dbraw/zinc/67/59/43/1189675943.db2.gz JYLYEZAMSVLKRC-MJBXVCDLSA-N 2 2 381.443 0.231 20 0 GCADLP C[C@H]([C@H](C)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCOCC1 ZINC000417517961 1189676101 /nfs/dbraw/zinc/67/61/01/1189676101.db2.gz JYLYEZAMSVLKRC-BFHYXJOUSA-N 2 2 381.443 0.231 20 0 GCADLP COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000584840215 1189686781 /nfs/dbraw/zinc/68/67/81/1189686781.db2.gz QKLKXOLSJBYJDT-GFCCVEGCSA-N 2 2 384.502 0.744 20 0 GCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604087 1189688183 /nfs/dbraw/zinc/68/81/83/1189688183.db2.gz TXCIRVBMAJGMMB-OALUTQOASA-N 2 2 376.501 0.608 20 0 GCADLP COC[C@@]1(CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000417602671 1189690120 /nfs/dbraw/zinc/69/01/20/1189690120.db2.gz OZNTVXUJVGUQCS-CTNGQTDRSA-N 2 2 390.528 0.998 20 0 GCADLP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417629836 1189691970 /nfs/dbraw/zinc/69/19/70/1189691970.db2.gz VXFFTXDCQGSPBZ-GJZGRUSLSA-N 2 2 377.493 0.319 20 0 GCADLP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417629836 1189691978 /nfs/dbraw/zinc/69/19/78/1189691978.db2.gz VXFFTXDCQGSPBZ-GJZGRUSLSA-N 2 2 377.493 0.319 20 0 GCADLP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417627289 1189692894 /nfs/dbraw/zinc/69/28/94/1189692894.db2.gz SIENXEUWEBOIBB-LSDHHAIUSA-N 2 2 377.493 0.176 20 0 GCADLP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417627289 1189692899 /nfs/dbraw/zinc/69/28/99/1189692899.db2.gz SIENXEUWEBOIBB-LSDHHAIUSA-N 2 2 377.493 0.176 20 0 GCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]1 ZINC000417626823 1189693272 /nfs/dbraw/zinc/69/32/72/1189693272.db2.gz RRAAGVOFGQFXMU-HZPDHXFCSA-N 2 2 389.504 0.285 20 0 GCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]1 ZINC000417626823 1189693275 /nfs/dbraw/zinc/69/32/75/1189693275.db2.gz RRAAGVOFGQFXMU-HZPDHXFCSA-N 2 2 389.504 0.285 20 0 GCADLP CO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000668911636 1189718321 /nfs/dbraw/zinc/71/83/21/1189718321.db2.gz VHSYJMHNXAFIFV-MJGOQNOKSA-N 2 2 394.560 0.983 20 0 GCADLP CO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000668911636 1189718328 /nfs/dbraw/zinc/71/83/28/1189718328.db2.gz VHSYJMHNXAFIFV-MJGOQNOKSA-N 2 2 394.560 0.983 20 0 GCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000579349046 1189722731 /nfs/dbraw/zinc/72/27/31/1189722731.db2.gz YVWJGJNBXSBBEU-ZDUSSCGKSA-N 2 2 379.486 0.849 20 0 GCADLP O=C(CCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000579594086 1189727553 /nfs/dbraw/zinc/72/75/53/1189727553.db2.gz YNTBQPWXGQVQNE-SJORKVTESA-N 2 2 387.484 0.100 20 0 GCADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)CC2)CC1 ZINC000643152184 1189754156 /nfs/dbraw/zinc/75/41/56/1189754156.db2.gz LDFOTJWIPZIZAZ-UHFFFAOYSA-N 2 2 389.500 0.897 20 0 GCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000364453053 1189808129 /nfs/dbraw/zinc/80/81/29/1189808129.db2.gz ADVQHJQLKYZNMW-AEFFLSMTSA-N 2 2 396.557 0.652 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000660470338 1189842070 /nfs/dbraw/zinc/84/20/70/1189842070.db2.gz OCZLBRYZFRVYOG-PKOBYXMFSA-N 2 2 388.512 0.244 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000660470338 1189842080 /nfs/dbraw/zinc/84/20/80/1189842080.db2.gz OCZLBRYZFRVYOG-PKOBYXMFSA-N 2 2 388.512 0.244 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H](O)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661066160 1189986436 /nfs/dbraw/zinc/98/64/36/1189986436.db2.gz YVMQRSUFSLFSTA-GUDVDZBRSA-N 2 2 394.560 0.765 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H](O)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661066160 1189986437 /nfs/dbraw/zinc/98/64/37/1189986437.db2.gz YVMQRSUFSLFSTA-GUDVDZBRSA-N 2 2 394.560 0.765 20 0 GCADLP C[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662751818 1190018515 /nfs/dbraw/zinc/01/85/15/1190018515.db2.gz DPMNRLRPWZGFEQ-ZDUSSCGKSA-N 2 2 388.447 0.607 20 0 GCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661232711 1190019986 /nfs/dbraw/zinc/01/99/86/1190019986.db2.gz JXBMVGBVZZEDTA-SQNIBIBYSA-N 2 2 378.517 0.395 20 0 GCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661232711 1190019993 /nfs/dbraw/zinc/01/99/93/1190019993.db2.gz JXBMVGBVZZEDTA-SQNIBIBYSA-N 2 2 378.517 0.395 20 0 GCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662789466 1190030667 /nfs/dbraw/zinc/03/06/67/1190030667.db2.gz BTPKGHNTYQDWDP-CRAIPNDOSA-N 2 2 388.516 0.786 20 0 GCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662789466 1190030672 /nfs/dbraw/zinc/03/06/72/1190030672.db2.gz BTPKGHNTYQDWDP-CRAIPNDOSA-N 2 2 388.516 0.786 20 0 GCADLP Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)C4(O)C[NH2+]C4)CC3)n2)cc1 ZINC000662787483 1190031227 /nfs/dbraw/zinc/03/12/27/1190031227.db2.gz AZTYQBFJUDUFBS-UHFFFAOYSA-N 2 2 385.468 0.456 20 0 GCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662840613 1190049745 /nfs/dbraw/zinc/04/97/45/1190049745.db2.gz DOINKVUCOKBNJR-RBUKOAKNSA-N 2 2 392.544 0.405 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2 ZINC000419234434 1193744605 /nfs/dbraw/zinc/74/46/05/1193744605.db2.gz LYWRFNCNCPYKKK-INIZCTEOSA-N 2 2 392.500 0.278 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2 ZINC000419234434 1193744609 /nfs/dbraw/zinc/74/46/09/1193744609.db2.gz LYWRFNCNCPYKKK-INIZCTEOSA-N 2 2 392.500 0.278 20 0 GCADLP COc1nccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1I ZINC001211757543 1193745175 /nfs/dbraw/zinc/74/51/75/1193745175.db2.gz DOOPZGBDMMRJSK-YUMQZZPRSA-N 2 2 387.181 0.759 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000332988475 1193751001 /nfs/dbraw/zinc/75/10/01/1193751001.db2.gz AOLZVGXRAKSMKC-GOSISDBHSA-N 2 2 381.565 0.907 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)CC2 ZINC000419237856 1193752564 /nfs/dbraw/zinc/75/25/64/1193752564.db2.gz PBHYFCUHCPTYGE-MRXNPFEDSA-N 2 2 390.484 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)CC2 ZINC000419237856 1193752566 /nfs/dbraw/zinc/75/25/66/1193752566.db2.gz PBHYFCUHCPTYGE-MRXNPFEDSA-N 2 2 390.484 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]1C[NH3+])CC2 ZINC000419239788 1193754981 /nfs/dbraw/zinc/75/49/81/1193754981.db2.gz QVCGVXDSPCCUEV-INIZCTEOSA-N 2 2 390.484 0.128 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]1C[NH3+])CC2 ZINC000419239788 1193754985 /nfs/dbraw/zinc/75/49/85/1193754985.db2.gz QVCGVXDSPCCUEV-INIZCTEOSA-N 2 2 390.484 0.128 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000664051740 1193775416 /nfs/dbraw/zinc/77/54/16/1193775416.db2.gz QWSWPEVEBZPZLQ-CVEARBPZSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000664051740 1193775421 /nfs/dbraw/zinc/77/54/21/1193775421.db2.gz QWSWPEVEBZPZLQ-CVEARBPZSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270063 1193778211 /nfs/dbraw/zinc/77/82/11/1193778211.db2.gz COXAQKQGEDPNGA-PBHICJAKSA-N 2 2 385.468 0.777 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419344040 1193837446 /nfs/dbraw/zinc/83/74/46/1193837446.db2.gz RNQGUZKEUUQXNO-QGZVFWFLSA-N 2 2 387.528 0.261 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382607 1193888597 /nfs/dbraw/zinc/88/85/97/1193888597.db2.gz DPLXJEFSBKJXIN-ULQDDVLXSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382607 1193888602 /nfs/dbraw/zinc/88/86/02/1193888602.db2.gz DPLXJEFSBKJXIN-ULQDDVLXSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385167 1193894599 /nfs/dbraw/zinc/89/45/99/1193894599.db2.gz HJASHRYLPJDFOP-OAGGEKHMSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385167 1193894604 /nfs/dbraw/zinc/89/46/04/1193894604.db2.gz HJASHRYLPJDFOP-OAGGEKHMSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419386460 1193896614 /nfs/dbraw/zinc/89/66/14/1193896614.db2.gz IRQCPNNCYJYJTG-IRXDYDNUSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419386460 1193896619 /nfs/dbraw/zinc/89/66/19/1193896619.db2.gz IRQCPNNCYJYJTG-IRXDYDNUSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)c2ccc(Cl)cc2)C1 ZINC000419388407 1193898329 /nfs/dbraw/zinc/89/83/29/1193898329.db2.gz KMXLZQQORSBYSG-CVEARBPZSA-N 2 2 394.903 0.826 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)c2ccc(Cl)cc2)C1 ZINC000419388407 1193898333 /nfs/dbraw/zinc/89/83/33/1193898333.db2.gz KMXLZQQORSBYSG-CVEARBPZSA-N 2 2 394.903 0.826 20 0 GCADLP COC(=O)[C@@H]1[C@H](C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1(F)F ZINC000894211789 1193917718 /nfs/dbraw/zinc/91/77/18/1193917718.db2.gz UBXUEWSMEIBJMQ-BBRMVZONSA-N 2 2 382.411 0.764 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419392538 1193918908 /nfs/dbraw/zinc/91/89/08/1193918908.db2.gz OMPHVLJHRVXEMV-KBRIMQKVSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419392538 1193918909 /nfs/dbraw/zinc/91/89/09/1193918909.db2.gz OMPHVLJHRVXEMV-KBRIMQKVSA-N 2 2 394.903 0.648 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419393307 1193919311 /nfs/dbraw/zinc/91/93/11/1193919311.db2.gz PUOFVYBZLPKNBE-YESZJQIVSA-N 2 2 394.903 0.681 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419393307 1193919312 /nfs/dbraw/zinc/91/93/12/1193919312.db2.gz PUOFVYBZLPKNBE-YESZJQIVSA-N 2 2 394.903 0.681 20 0 GCADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)C1CCOCC1 ZINC000261769566 1193925710 /nfs/dbraw/zinc/92/57/10/1193925710.db2.gz FOXRNRWIKKWDEW-PKOBYXMFSA-N 2 2 377.485 0.324 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000419394048 1193930387 /nfs/dbraw/zinc/93/03/87/1193930387.db2.gz RKNBJVZKBRHLDV-HZPDHXFCSA-N 2 2 382.892 0.683 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000419394048 1193930390 /nfs/dbraw/zinc/93/03/90/1193930390.db2.gz RKNBJVZKBRHLDV-HZPDHXFCSA-N 2 2 382.892 0.683 20 0 GCADLP [NH3+][C@@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000261916892 1193931692 /nfs/dbraw/zinc/93/16/92/1193931692.db2.gz YFRAGYVCYHDNLF-LJQANCHMSA-N 2 2 377.485 0.768 20 0 GCADLP C[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000261982803 1193934621 /nfs/dbraw/zinc/93/46/21/1193934621.db2.gz CWRNETWWQNGPRF-YLJYHZDGSA-N 2 2 389.519 0.842 20 0 GCADLP C[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664176205 1193950795 /nfs/dbraw/zinc/95/07/95/1193950795.db2.gz SVSJBRAUYSVCOY-LJQANCHMSA-N 2 2 381.565 0.910 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000433823249 1193950950 /nfs/dbraw/zinc/95/09/50/1193950950.db2.gz NQAYETBRXFEXAZ-LJQANCHMSA-N 2 2 394.608 0.822 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419393907 1193952746 /nfs/dbraw/zinc/95/27/46/1193952746.db2.gz RBBQTAIEDPDWTQ-RRQGHBQHSA-N 2 2 394.903 0.635 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419393907 1193952747 /nfs/dbraw/zinc/95/27/47/1193952747.db2.gz RBBQTAIEDPDWTQ-RRQGHBQHSA-N 2 2 394.903 0.635 20 0 GCADLP CCCCN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000647829722 1193954645 /nfs/dbraw/zinc/95/46/45/1193954645.db2.gz QRLVNZHRCNSSKP-CQSZACIVSA-N 2 2 394.520 0.601 20 0 GCADLP CCCCN(C(=O)C[N@H+]1CC[C@H](C[NH3+])C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000647829722 1193954647 /nfs/dbraw/zinc/95/46/47/1193954647.db2.gz QRLVNZHRCNSSKP-CQSZACIVSA-N 2 2 394.520 0.601 20 0 GCADLP CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000513477737 1193955435 /nfs/dbraw/zinc/95/54/35/1193955435.db2.gz UUGDHNKENLZISK-QZTJIDSGSA-N 2 2 394.560 0.935 20 0 GCADLP CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000513477737 1193955436 /nfs/dbraw/zinc/95/54/36/1193955436.db2.gz UUGDHNKENLZISK-QZTJIDSGSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000664218555 1193970521 /nfs/dbraw/zinc/97/05/21/1193970521.db2.gz FDPNNJIQXUVHLY-MOPGFXCFSA-N 2 2 381.565 0.766 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000280042941 1193974399 /nfs/dbraw/zinc/97/43/99/1193974399.db2.gz OFFSCUUKNCERND-MRXNPFEDSA-N 2 2 379.505 0.884 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419397956 1194018407 /nfs/dbraw/zinc/01/84/07/1194018407.db2.gz YVGGMQCHDBSXQJ-JQFCIGGWSA-N 2 2 396.919 0.800 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419397956 1194018410 /nfs/dbraw/zinc/01/84/10/1194018410.db2.gz YVGGMQCHDBSXQJ-JQFCIGGWSA-N 2 2 396.919 0.800 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000419397317 1194018451 /nfs/dbraw/zinc/01/84/51/1194018451.db2.gz XHAFTWBAASSTKK-SJORKVTESA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000419397317 1194018456 /nfs/dbraw/zinc/01/84/56/1194018456.db2.gz XHAFTWBAASSTKK-SJORKVTESA-N 2 2 394.903 0.778 20 0 GCADLP CC1(C)CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419405293 1194021358 /nfs/dbraw/zinc/02/13/58/1194021358.db2.gz UUCNWKIZLOEQPD-KRWDZBQOSA-N 2 2 390.553 0.931 20 0 GCADLP CC1(C)CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419405293 1194021362 /nfs/dbraw/zinc/02/13/62/1194021362.db2.gz UUCNWKIZLOEQPD-KRWDZBQOSA-N 2 2 390.553 0.931 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421850 1194023498 /nfs/dbraw/zinc/02/34/98/1194023498.db2.gz WILCBQVMUMCOTJ-QRQLOZEOSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421850 1194023502 /nfs/dbraw/zinc/02/35/02/1194023502.db2.gz WILCBQVMUMCOTJ-QRQLOZEOSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411732 1194029745 /nfs/dbraw/zinc/02/97/45/1194029745.db2.gz IEVDYCJRAPMVHG-JKSUJKDBSA-N 2 2 398.454 0.492 20 0 GCADLP CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411732 1194029749 /nfs/dbraw/zinc/02/97/49/1194029749.db2.gz IEVDYCJRAPMVHG-JKSUJKDBSA-N 2 2 398.454 0.492 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419414439 1194031714 /nfs/dbraw/zinc/03/17/14/1194031714.db2.gz MCLAWHCKNPKYCW-NEWSRXKRSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419414439 1194031717 /nfs/dbraw/zinc/03/17/17/1194031717.db2.gz MCLAWHCKNPKYCW-NEWSRXKRSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419503667 1194047066 /nfs/dbraw/zinc/04/70/66/1194047066.db2.gz HWPFEBQFYDITPH-NVXWUHKLSA-N 2 2 391.491 0.321 20 0 GCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419504916 1194047090 /nfs/dbraw/zinc/04/70/90/1194047090.db2.gz KTPYLBKXMUXHNG-HZPDHXFCSA-N 2 2 391.491 0.260 20 0 GCADLP [NH3+]C1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000419510082 1194050152 /nfs/dbraw/zinc/05/01/52/1194050152.db2.gz SWPNVKHJHYRKFH-UHFFFAOYSA-N 2 2 377.464 0.014 20 0 GCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419511618 1194051210 /nfs/dbraw/zinc/05/12/10/1194051210.db2.gz WAVFFDOYFKJJDA-MRXNPFEDSA-N 2 2 377.464 0.014 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419513293 1194051657 /nfs/dbraw/zinc/05/16/57/1194051657.db2.gz ZAZIIXSZNBUUOI-KRWDZBQOSA-N 2 2 393.507 0.698 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)CC1 ZINC000419669228 1194078588 /nfs/dbraw/zinc/07/85/88/1194078588.db2.gz ZKLNPBQLEDJUQP-UHFFFAOYSA-N 2 2 378.473 0.738 20 0 GCADLP CN(C)c1[nH+]cc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)n1C ZINC000419701752 1194088379 /nfs/dbraw/zinc/08/83/79/1194088379.db2.gz ALCXNUZPOLGZSG-UHFFFAOYSA-N 2 2 380.518 0.938 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419720020 1194092385 /nfs/dbraw/zinc/09/23/85/1194092385.db2.gz HEVKMWPAOKWVKO-RHSMWYFYSA-N 2 2 391.422 0.930 20 0 GCADLP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000419846347 1194113920 /nfs/dbraw/zinc/11/39/20/1194113920.db2.gz HDTODMHKWWJITC-GOSISDBHSA-N 2 2 383.452 0.752 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NC3CCC([NH3+])CC3)CC2)nc(C(C)C)[nH+]1 ZINC000419860024 1194123553 /nfs/dbraw/zinc/12/35/53/1194123553.db2.gz AEJHDBCHZKFQEC-UHFFFAOYSA-N 2 2 388.516 0.943 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419894833 1194135190 /nfs/dbraw/zinc/13/51/90/1194135190.db2.gz RJCVWVRMBZTPJP-UHOSZYNNSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419894833 1194135193 /nfs/dbraw/zinc/13/51/93/1194135193.db2.gz RJCVWVRMBZTPJP-UHOSZYNNSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419894827 1194135221 /nfs/dbraw/zinc/13/52/21/1194135221.db2.gz RJCVWVRMBZTPJP-QRQLOZEOSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419894827 1194135223 /nfs/dbraw/zinc/13/52/23/1194135223.db2.gz RJCVWVRMBZTPJP-QRQLOZEOSA-N 3 2 393.576 0.650 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419896986 1194135927 /nfs/dbraw/zinc/13/59/27/1194135927.db2.gz VEJHSLSZXOOMQJ-ROUUACIJSA-N 3 2 381.565 0.508 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419896986 1194135932 /nfs/dbraw/zinc/13/59/32/1194135932.db2.gz VEJHSLSZXOOMQJ-ROUUACIJSA-N 3 2 381.565 0.508 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000419910407 1194142073 /nfs/dbraw/zinc/14/20/73/1194142073.db2.gz HVHJHYBCSGLVCA-MRXNPFEDSA-N 2 2 388.516 0.673 20 0 GCADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC2)cn1 ZINC000419956156 1194144029 /nfs/dbraw/zinc/14/40/29/1194144029.db2.gz SGGTWRCOHNVDKY-MRXNPFEDSA-N 2 2 378.521 0.299 20 0 GCADLP CCCn1cc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC2)cn1 ZINC000419956156 1194144031 /nfs/dbraw/zinc/14/40/31/1194144031.db2.gz SGGTWRCOHNVDKY-MRXNPFEDSA-N 2 2 378.521 0.299 20 0 GCADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC2)cn1 ZINC000419956153 1194144311 /nfs/dbraw/zinc/14/43/11/1194144311.db2.gz SGGTWRCOHNVDKY-INIZCTEOSA-N 2 2 378.521 0.299 20 0 GCADLP CCCn1cc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC2)cn1 ZINC000419956153 1194144317 /nfs/dbraw/zinc/14/43/17/1194144317.db2.gz SGGTWRCOHNVDKY-INIZCTEOSA-N 2 2 378.521 0.299 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000419985728 1194153044 /nfs/dbraw/zinc/15/30/44/1194153044.db2.gz XABUJAYIIKOZGZ-HOTGVXAUSA-N 2 2 376.501 0.872 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000420032346 1194161091 /nfs/dbraw/zinc/16/10/91/1194161091.db2.gz HWIHTEOVRLKCNR-SOUVJXGZSA-N 2 2 377.489 0.430 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420041980 1194167014 /nfs/dbraw/zinc/16/70/14/1194167014.db2.gz QFJIYAMKWXGGDT-ZBFHGGJFSA-N 2 2 394.541 0.664 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420044519 1194167649 /nfs/dbraw/zinc/16/76/49/1194167649.db2.gz TZRSAPIRVMJXOB-XYJFISCASA-N 2 2 388.512 0.949 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420044519 1194167650 /nfs/dbraw/zinc/16/76/50/1194167650.db2.gz TZRSAPIRVMJXOB-XYJFISCASA-N 2 2 388.512 0.949 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420046168 1194168297 /nfs/dbraw/zinc/16/82/97/1194168297.db2.gz VKOZOAVZNJYNDX-AEFFLSMTSA-N 2 2 388.512 0.868 20 0 GCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)c1C ZINC000420054488 1194170070 /nfs/dbraw/zinc/17/00/70/1194170070.db2.gz HEMPJURUOFMSHH-KGLIPLIRSA-N 2 2 378.473 0.895 20 0 GCADLP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420088341 1194175574 /nfs/dbraw/zinc/17/55/74/1194175574.db2.gz DNPXCDJMJHOWGI-MAUKXSAKSA-N 2 2 392.450 0.833 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420160738 1194191406 /nfs/dbraw/zinc/19/14/06/1194191406.db2.gz VICDYFIBZLWRMO-BHIYHBOVSA-N 3 2 395.592 0.896 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420160738 1194191409 /nfs/dbraw/zinc/19/14/09/1194191409.db2.gz VICDYFIBZLWRMO-BHIYHBOVSA-N 3 2 395.592 0.896 20 0 GCADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000420202437 1194203673 /nfs/dbraw/zinc/20/36/73/1194203673.db2.gz PSKWCEFQQXZRLX-KRWDZBQOSA-N 2 2 394.903 0.479 20 0 GCADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000420202437 1194203675 /nfs/dbraw/zinc/20/36/75/1194203675.db2.gz PSKWCEFQQXZRLX-KRWDZBQOSA-N 2 2 394.903 0.479 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000420202069 1194203713 /nfs/dbraw/zinc/20/37/13/1194203713.db2.gz PBQSWEYZTOMDGS-CRAIPNDOSA-N 2 2 390.484 0.005 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000420202781 1194204083 /nfs/dbraw/zinc/20/40/83/1194204083.db2.gz JWDFJJVAZPZJCJ-UHFFFAOYSA-N 3 2 387.528 0.260 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501648044 1194219362 /nfs/dbraw/zinc/21/93/62/1194219362.db2.gz XPZCLUFLBRHIGS-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501648044 1194219368 /nfs/dbraw/zinc/21/93/68/1194219368.db2.gz XPZCLUFLBRHIGS-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501648044 1194219371 /nfs/dbraw/zinc/21/93/71/1194219371.db2.gz XPZCLUFLBRHIGS-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501648044 1194219374 /nfs/dbraw/zinc/21/93/74/1194219374.db2.gz XPZCLUFLBRHIGS-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP NS(=O)(=O)c1ccc(CCNC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420357985 1194223986 /nfs/dbraw/zinc/22/39/86/1194223986.db2.gz IMHVTVREYZNYPD-KRWDZBQOSA-N 2 2 382.530 0.490 20 0 GCADLP CCCn1c(N)c(C(=O)C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(=O)[nH]c1=O ZINC000420379117 1194225121 /nfs/dbraw/zinc/22/51/21/1194225121.db2.gz MPWDOCPDIMOOJP-XJKSGUPXSA-N 2 2 393.488 0.342 20 0 GCADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420390216 1194226715 /nfs/dbraw/zinc/22/67/15/1194226715.db2.gz ZARDKNMVWYZCEX-OAHLLOKOSA-N 2 2 387.444 0.731 20 0 GCADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420390216 1194226719 /nfs/dbraw/zinc/22/67/19/1194226719.db2.gz ZARDKNMVWYZCEX-OAHLLOKOSA-N 2 2 387.444 0.731 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420390638 1194226786 /nfs/dbraw/zinc/22/67/86/1194226786.db2.gz ACBAHXGDHJRBQF-IPYPFGDCSA-N 2 2 380.514 0.528 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420390638 1194226787 /nfs/dbraw/zinc/22/67/87/1194226787.db2.gz ACBAHXGDHJRBQF-IPYPFGDCSA-N 2 2 380.514 0.528 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(=O)[nH]c1=O ZINC000420403196 1194228749 /nfs/dbraw/zinc/22/87/49/1194228749.db2.gz KUGGRPYAEQJZMY-UONOGXRCSA-N 2 2 394.520 0.601 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(=O)[nH]c1=O ZINC000420403196 1194228755 /nfs/dbraw/zinc/22/87/55/1194228755.db2.gz KUGGRPYAEQJZMY-UONOGXRCSA-N 2 2 394.520 0.601 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000420408183 1194229296 /nfs/dbraw/zinc/22/92/96/1194229296.db2.gz PDKXLQVDXWTWCS-VQIMIIECSA-N 2 2 388.512 0.692 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000420408183 1194229298 /nfs/dbraw/zinc/22/92/98/1194229298.db2.gz PDKXLQVDXWTWCS-VQIMIIECSA-N 2 2 388.512 0.692 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000420918426 1194274960 /nfs/dbraw/zinc/27/49/60/1194274960.db2.gz WDOQLGKNWSGHGS-IBGZPJMESA-N 2 2 388.512 0.688 20 0 GCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000420918426 1194274964 /nfs/dbraw/zinc/27/49/64/1194274964.db2.gz WDOQLGKNWSGHGS-IBGZPJMESA-N 2 2 388.512 0.688 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000421133315 1194298699 /nfs/dbraw/zinc/29/86/99/1194298699.db2.gz VNJQMQHKIUAVOA-BRWVUGGUSA-N 2 2 382.549 0.932 20 0 GCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000421133315 1194298703 /nfs/dbraw/zinc/29/87/03/1194298703.db2.gz VNJQMQHKIUAVOA-BRWVUGGUSA-N 2 2 382.549 0.932 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000421214983 1194306014 /nfs/dbraw/zinc/30/60/14/1194306014.db2.gz CRQLXYKBFVAIFH-ZWKOTPCHSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000421214983 1194306019 /nfs/dbraw/zinc/30/60/19/1194306019.db2.gz CRQLXYKBFVAIFH-ZWKOTPCHSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000421223926 1194312145 /nfs/dbraw/zinc/31/21/45/1194312145.db2.gz KDZPDKGZIFXXGT-GOSISDBHSA-N 2 2 387.484 0.814 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983035169 1194344241 /nfs/dbraw/zinc/34/42/41/1194344241.db2.gz LCTUBYYZJHOIGB-QBPKDAKJSA-N 2 2 377.489 0.203 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983035169 1194344244 /nfs/dbraw/zinc/34/42/44/1194344244.db2.gz LCTUBYYZJHOIGB-QBPKDAKJSA-N 2 2 377.489 0.203 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)O2)C[C@H](C)[NH+]1C ZINC000329339781 1194380981 /nfs/dbraw/zinc/38/09/81/1194380981.db2.gz NXJRCFFJHBOYKG-COYYTBTLSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)O2)C[C@H](C)[NH+]1C ZINC000329339781 1194380990 /nfs/dbraw/zinc/38/09/90/1194380990.db2.gz NXJRCFFJHBOYKG-COYYTBTLSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)O2)C[C@H](C)[NH+]1C ZINC000329339781 1194380994 /nfs/dbraw/zinc/38/09/94/1194380994.db2.gz NXJRCFFJHBOYKG-COYYTBTLSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)O2)C[C@H](C)[NH+]1C ZINC000329339781 1194380998 /nfs/dbraw/zinc/38/09/98/1194380998.db2.gz NXJRCFFJHBOYKG-COYYTBTLSA-N 2 2 380.533 0.636 20 0 GCADLP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000271728085 1194407745 /nfs/dbraw/zinc/40/77/45/1194407745.db2.gz RMLTWDQSSBJLIG-UHFFFAOYSA-N 2 2 398.891 0.355 20 0 GCADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1cccc(OC)c1 ZINC000272283174 1194446231 /nfs/dbraw/zinc/44/62/31/1194446231.db2.gz DEHHXEUIEXBXIA-IAGOWNOFSA-N 2 2 385.530 0.956 20 0 GCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000647924124 1194506840 /nfs/dbraw/zinc/50/68/40/1194506840.db2.gz HFEDHBKMMQPVRJ-UHFFFAOYSA-N 2 2 398.504 0.472 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000273095172 1194538236 /nfs/dbraw/zinc/53/82/36/1194538236.db2.gz UMNWGCUAZANBOY-FXAWDEMLSA-N 2 2 399.499 0.559 20 0 GCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000647926726 1194550435 /nfs/dbraw/zinc/55/04/35/1194550435.db2.gz KLWIQGATHGWULE-UHFFFAOYSA-N 2 2 394.541 0.474 20 0 GCADLP Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c(OCC[NH+](C)C)c1 ZINC000273580354 1194573904 /nfs/dbraw/zinc/57/39/04/1194573904.db2.gz ZRHCSKHCYLVFSU-UHFFFAOYSA-N 2 2 378.473 0.010 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000422281707 1194599685 /nfs/dbraw/zinc/59/96/85/1194599685.db2.gz YCIIXFILMBXTJK-QGZVFWFLSA-N 2 2 398.548 0.029 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000422281707 1194599689 /nfs/dbraw/zinc/59/96/89/1194599689.db2.gz YCIIXFILMBXTJK-QGZVFWFLSA-N 2 2 398.548 0.029 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000422306303 1194605094 /nfs/dbraw/zinc/60/50/94/1194605094.db2.gz YZHAOVGSPZMEOK-IEBWSBKVSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000422306303 1194605098 /nfs/dbraw/zinc/60/50/98/1194605098.db2.gz YZHAOVGSPZMEOK-IEBWSBKVSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000422306303 1194605100 /nfs/dbraw/zinc/60/51/00/1194605100.db2.gz YZHAOVGSPZMEOK-IEBWSBKVSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000422306303 1194605111 /nfs/dbraw/zinc/60/51/11/1194605111.db2.gz YZHAOVGSPZMEOK-IEBWSBKVSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)(C)C[NH+](C)C ZINC000422353051 1194617661 /nfs/dbraw/zinc/61/76/61/1194617661.db2.gz GCXGWJVQAXVFST-INIZCTEOSA-N 2 2 398.548 0.077 20 0 GCADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000422426949 1194638603 /nfs/dbraw/zinc/63/86/03/1194638603.db2.gz PUHLOCZWCVOOJF-HNNXBMFYSA-N 2 2 375.498 0.966 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOCC1CCCC1 ZINC000422468340 1194646436 /nfs/dbraw/zinc/64/64/36/1194646436.db2.gz ZCFFAXHTXDCLSG-UHFFFAOYSA-N 2 2 382.549 0.794 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOCC1CCCC1 ZINC000422468340 1194646439 /nfs/dbraw/zinc/64/64/39/1194646439.db2.gz ZCFFAXHTXDCLSG-UHFFFAOYSA-N 2 2 382.549 0.794 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc(C)[nH+]1 ZINC000422585655 1194668878 /nfs/dbraw/zinc/66/88/78/1194668878.db2.gz DJHYZJJXIBWJRJ-KRWDZBQOSA-N 2 2 387.484 0.080 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc(C)[nH+]1 ZINC000422585655 1194668882 /nfs/dbraw/zinc/66/88/82/1194668882.db2.gz DJHYZJJXIBWJRJ-KRWDZBQOSA-N 2 2 387.484 0.080 20 0 GCADLP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)N1CCCS1(=O)=O ZINC000503659792 1194704782 /nfs/dbraw/zinc/70/47/82/1194704782.db2.gz SRMPDSYCXYWLNH-QGZVFWFLSA-N 2 2 388.578 0.531 20 0 GCADLP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)N1CCCS1(=O)=O ZINC000503659792 1194704784 /nfs/dbraw/zinc/70/47/84/1194704784.db2.gz SRMPDSYCXYWLNH-QGZVFWFLSA-N 2 2 388.578 0.531 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000549963645 1194715221 /nfs/dbraw/zinc/71/52/21/1194715221.db2.gz GVQZHSZCTQEULM-KRWDZBQOSA-N 2 2 376.501 0.321 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423010039 1194716831 /nfs/dbraw/zinc/71/68/31/1194716831.db2.gz FQXONBUKQGFHKW-FQEVSTJZSA-N 2 2 399.539 0.145 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)CC2)c1 ZINC000423009284 1194716841 /nfs/dbraw/zinc/71/68/41/1194716841.db2.gz CMOPDNWMRSOSRV-HXUWFJFHSA-N 2 2 399.539 0.145 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000423064908 1194723549 /nfs/dbraw/zinc/72/35/49/1194723549.db2.gz ZVQGFYIFNICXQA-QGZVFWFLSA-N 2 2 380.533 0.404 20 0 GCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000423258237 1194744464 /nfs/dbraw/zinc/74/44/64/1194744464.db2.gz LVHCRWONXFNXDV-DLBZAZTESA-N 2 2 388.512 0.968 20 0 GCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000423258240 1194744469 /nfs/dbraw/zinc/74/44/69/1194744469.db2.gz LVHCRWONXFNXDV-SJORKVTESA-N 2 2 388.512 0.968 20 0 GCADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000423271463 1194745545 /nfs/dbraw/zinc/74/55/45/1194745545.db2.gz HNXLXROQBZCKHO-QGZVFWFLSA-N 2 2 376.505 0.277 20 0 GCADLP CCCn1cc(C[N@H+]2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000423271463 1194745548 /nfs/dbraw/zinc/74/55/48/1194745548.db2.gz HNXLXROQBZCKHO-QGZVFWFLSA-N 2 2 376.505 0.277 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423301202 1194748071 /nfs/dbraw/zinc/74/80/71/1194748071.db2.gz STTCZGSOAFEJRZ-ICSRJNTNSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423301202 1194748074 /nfs/dbraw/zinc/74/80/74/1194748074.db2.gz STTCZGSOAFEJRZ-ICSRJNTNSA-N 2 2 399.539 0.225 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423527662 1194763441 /nfs/dbraw/zinc/76/34/41/1194763441.db2.gz MKODOAQPTODQIE-BHIYHBOVSA-N 3 2 393.576 0.732 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423527662 1194763444 /nfs/dbraw/zinc/76/34/44/1194763444.db2.gz MKODOAQPTODQIE-BHIYHBOVSA-N 3 2 393.576 0.732 20 0 GCADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423541623 1194765099 /nfs/dbraw/zinc/76/50/99/1194765099.db2.gz FRASDDIZDBZGPX-QFBILLFUSA-N 2 2 387.528 0.881 20 0 GCADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423541623 1194765100 /nfs/dbraw/zinc/76/51/00/1194765100.db2.gz FRASDDIZDBZGPX-QFBILLFUSA-N 2 2 387.528 0.881 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000423665330 1194781477 /nfs/dbraw/zinc/78/14/77/1194781477.db2.gz HFEZHHFJZRHKKY-HOTGVXAUSA-N 2 2 388.516 0.753 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423680882 1194785085 /nfs/dbraw/zinc/78/50/85/1194785085.db2.gz LPDXUEIUTNESAQ-UHFFFAOYSA-N 3 2 389.544 0.458 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423680882 1194785087 /nfs/dbraw/zinc/78/50/87/1194785087.db2.gz LPDXUEIUTNESAQ-UHFFFAOYSA-N 3 2 389.544 0.458 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727807 1194789820 /nfs/dbraw/zinc/78/98/20/1194789820.db2.gz KXYULZVLZCNIIB-HCXYKTFWSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727807 1194789821 /nfs/dbraw/zinc/78/98/21/1194789821.db2.gz KXYULZVLZCNIIB-HCXYKTFWSA-N 2 2 394.560 0.935 20 0 GCADLP [NH3+]CC[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC000423733140 1194792152 /nfs/dbraw/zinc/79/21/52/1194792152.db2.gz BIYCJRKRQFBRSU-ZDUSSCGKSA-N 2 2 387.406 0.906 20 0 GCADLP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)[C@@H](C)[NH3+] ZINC000423740207 1194792803 /nfs/dbraw/zinc/79/28/03/1194792803.db2.gz IQBYUSYHHDTEMG-VQIMIIECSA-N 3 2 381.565 0.303 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)COC3CC[NH2+]CC3)CC2)c1 ZINC000423796541 1194793862 /nfs/dbraw/zinc/79/38/62/1194793862.db2.gz GSSBMHJGUNUULH-UHFFFAOYSA-N 2 2 377.485 0.987 20 0 GCADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1S(=O)(=O)N(C)C ZINC000424331311 1194808433 /nfs/dbraw/zinc/80/84/33/1194808433.db2.gz JMNKLMOOWAQIQX-ZIAGYGMSSA-N 2 2 384.502 0.744 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424463556 1194813632 /nfs/dbraw/zinc/81/36/32/1194813632.db2.gz HPGVOMBBNQOLPL-AWEZNQCLSA-N 2 2 376.457 0.488 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424463556 1194813635 /nfs/dbraw/zinc/81/36/35/1194813635.db2.gz HPGVOMBBNQOLPL-AWEZNQCLSA-N 2 2 376.457 0.488 20 0 GCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000514141508 1194853349 /nfs/dbraw/zinc/85/33/49/1194853349.db2.gz GCTZZUNIWXCUKB-KDURUIRLSA-N 3 2 396.576 0.741 20 0 GCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000514141508 1194853351 /nfs/dbraw/zinc/85/33/51/1194853351.db2.gz GCTZZUNIWXCUKB-KDURUIRLSA-N 3 2 396.576 0.741 20 0 GCADLP C[C@H]1C[NH+](CCOC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000514141509 1194853463 /nfs/dbraw/zinc/85/34/63/1194853463.db2.gz GCTZZUNIWXCUKB-OALUTQOASA-N 3 2 396.576 0.741 20 0 GCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514611673 1194887695 /nfs/dbraw/zinc/88/76/95/1194887695.db2.gz BIHJQSSPFSXZCH-AEFFLSMTSA-N 2 2 394.541 0.472 20 0 GCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514611673 1194887698 /nfs/dbraw/zinc/88/76/98/1194887698.db2.gz BIHJQSSPFSXZCH-AEFFLSMTSA-N 2 2 394.541 0.472 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000435102050 1194889456 /nfs/dbraw/zinc/88/94/56/1194889456.db2.gz FPQSIRKVSNBFPU-KRWDZBQOSA-N 2 2 380.489 0.784 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1F ZINC000435277728 1194914477 /nfs/dbraw/zinc/91/44/77/1194914477.db2.gz KGEFYGLTSITPFV-MRXNPFEDSA-N 2 2 395.479 0.215 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1F ZINC000435277728 1194914478 /nfs/dbraw/zinc/91/44/78/1194914478.db2.gz KGEFYGLTSITPFV-MRXNPFEDSA-N 2 2 395.479 0.215 20 0 GCADLP COc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc(Cl)c1OCC(N)=O ZINC000435377636 1194924335 /nfs/dbraw/zinc/92/43/35/1194924335.db2.gz DTGSJRQLVGKKLS-UHFFFAOYSA-N 2 2 384.864 0.076 20 0 GCADLP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc(Cl)c1OCC(N)=O ZINC000435377636 1194924338 /nfs/dbraw/zinc/92/43/38/1194924338.db2.gz DTGSJRQLVGKKLS-UHFFFAOYSA-N 2 2 384.864 0.076 20 0 GCADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652731235 1194926070 /nfs/dbraw/zinc/92/60/70/1194926070.db2.gz FGUMWRFBCXVMIJ-BHIYHBOVSA-N 2 2 388.512 0.542 20 0 GCADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652731235 1194926072 /nfs/dbraw/zinc/92/60/72/1194926072.db2.gz FGUMWRFBCXVMIJ-BHIYHBOVSA-N 2 2 388.512 0.542 20 0 GCADLP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000514927881 1194929838 /nfs/dbraw/zinc/92/98/38/1194929838.db2.gz WAMJHHNWHZUTOO-UHFFFAOYSA-N 3 2 393.576 0.509 20 0 GCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1 ZINC000505695824 1194932872 /nfs/dbraw/zinc/93/28/72/1194932872.db2.gz QNJLWQSFKLCUHX-PXNSSMCTSA-N 2 2 378.517 0.111 20 0 GCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1 ZINC000505695824 1194932875 /nfs/dbraw/zinc/93/28/75/1194932875.db2.gz QNJLWQSFKLCUHX-PXNSSMCTSA-N 2 2 378.517 0.111 20 0 GCADLP CC(C)OCC[NH+]1CCC(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000435560287 1194943751 /nfs/dbraw/zinc/94/37/51/1194943751.db2.gz MMFJQJMIJVDKOU-SFHVURJKSA-N 2 2 386.537 0.210 20 0 GCADLP CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435611975 1194947225 /nfs/dbraw/zinc/94/72/25/1194947225.db2.gz DLGWKBVREHTKMW-ZDUSSCGKSA-N 2 2 384.502 0.745 20 0 GCADLP CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435611975 1194947228 /nfs/dbraw/zinc/94/72/28/1194947228.db2.gz DLGWKBVREHTKMW-ZDUSSCGKSA-N 2 2 384.502 0.745 20 0 GCADLP CC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435623823 1194947510 /nfs/dbraw/zinc/94/75/10/1194947510.db2.gz DLUKXIBIKQNMBE-OAHLLOKOSA-N 2 2 380.514 0.687 20 0 GCADLP CC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435623823 1194947513 /nfs/dbraw/zinc/94/75/13/1194947513.db2.gz DLUKXIBIKQNMBE-OAHLLOKOSA-N 2 2 380.514 0.687 20 0 GCADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436064199 1194983624 /nfs/dbraw/zinc/98/36/24/1194983624.db2.gz ZEDKGTKYDVSMIR-QGZVFWFLSA-N 2 2 389.500 0.694 20 0 GCADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436064199 1194983625 /nfs/dbraw/zinc/98/36/25/1194983625.db2.gz ZEDKGTKYDVSMIR-QGZVFWFLSA-N 2 2 389.500 0.694 20 0 GCADLP COc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(OC)c1 ZINC000436069642 1194983796 /nfs/dbraw/zinc/98/37/96/1194983796.db2.gz YXCHHFJVVZWITB-OAHLLOKOSA-N 2 2 378.473 0.962 20 0 GCADLP COc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(OC)c1 ZINC000436069642 1194983797 /nfs/dbraw/zinc/98/37/97/1194983797.db2.gz YXCHHFJVVZWITB-OAHLLOKOSA-N 2 2 378.473 0.962 20 0 GCADLP CS(=O)(=O)c1cccc(OCC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436052656 1194983803 /nfs/dbraw/zinc/98/38/03/1194983803.db2.gz OAJJYGXJFFXYGN-HNNXBMFYSA-N 2 2 383.514 0.788 20 0 GCADLP CS(=O)(=O)c1cccc(OCC[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436052656 1194983805 /nfs/dbraw/zinc/98/38/05/1194983805.db2.gz OAJJYGXJFFXYGN-HNNXBMFYSA-N 2 2 383.514 0.788 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414879606 1194988042 /nfs/dbraw/zinc/98/80/42/1194988042.db2.gz PEVAGXWUEWPXFL-INIZCTEOSA-N 2 2 396.495 0.806 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(c2ncc(Cl)c(N3CC[NH+](C[C@@H](C)O)CC3)n2)CC1 ZINC000436439715 1195007055 /nfs/dbraw/zinc/00/70/55/1195007055.db2.gz PAHNAUAGLSFXSQ-HUUCEWRRSA-N 2 2 398.939 0.136 20 0 GCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333697761 1195035347 /nfs/dbraw/zinc/03/53/47/1195035347.db2.gz DJGASXNOWMOWLZ-SJLPKXTDSA-N 2 2 378.517 0.443 20 0 GCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333697761 1195035352 /nfs/dbraw/zinc/03/53/52/1195035352.db2.gz DJGASXNOWMOWLZ-SJLPKXTDSA-N 2 2 378.517 0.443 20 0 GCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000288534802 1195063408 /nfs/dbraw/zinc/06/34/08/1195063408.db2.gz LGYAWJMNSWFVRC-UHFFFAOYSA-N 2 2 383.496 0.947 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000437462664 1195112740 /nfs/dbraw/zinc/11/27/40/1195112740.db2.gz ZLPYSUOPSWVMNO-UHFFFAOYSA-N 2 2 393.463 0.348 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000437462664 1195112742 /nfs/dbraw/zinc/11/27/42/1195112742.db2.gz ZLPYSUOPSWVMNO-UHFFFAOYSA-N 2 2 393.463 0.348 20 0 GCADLP C[C@H](CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000517021691 1195125302 /nfs/dbraw/zinc/12/53/02/1195125302.db2.gz PVUQSEPDJBYTHX-KURKYZTESA-N 2 2 382.549 0.935 20 0 GCADLP C[C@H](CCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000517021691 1195125304 /nfs/dbraw/zinc/12/53/04/1195125304.db2.gz PVUQSEPDJBYTHX-KURKYZTESA-N 2 2 382.549 0.935 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000414911718 1195140695 /nfs/dbraw/zinc/14/06/95/1195140695.db2.gz HAAQDDIKXVLKFU-UHFFFAOYSA-N 2 2 388.390 0.893 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000517136655 1195140704 /nfs/dbraw/zinc/14/07/04/1195140704.db2.gz PSPHYECHCFMICX-DLBZAZTESA-N 2 2 383.537 0.291 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000517263672 1195163950 /nfs/dbraw/zinc/16/39/50/1195163950.db2.gz UNWMVVPJYMCHOF-SFHVURJKSA-N 2 2 380.533 0.689 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000517263672 1195163953 /nfs/dbraw/zinc/16/39/53/1195163953.db2.gz UNWMVVPJYMCHOF-SFHVURJKSA-N 2 2 380.533 0.689 20 0 GCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000517400498 1195176752 /nfs/dbraw/zinc/17/67/52/1195176752.db2.gz VKEXJROCTBHGGN-SFHVURJKSA-N 2 2 382.549 0.792 20 0 GCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438335620 1195207539 /nfs/dbraw/zinc/20/75/39/1195207539.db2.gz GDBQZLKGAIJYIM-UHFFFAOYSA-N 2 2 398.511 1.395 20 0 GCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438335620 1195207541 /nfs/dbraw/zinc/20/75/41/1195207541.db2.gz GDBQZLKGAIJYIM-UHFFFAOYSA-N 2 2 398.511 1.395 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCOCC1 ZINC000550002747 1195217088 /nfs/dbraw/zinc/21/70/88/1195217088.db2.gz UQXUKEIVEOKFLB-KRWDZBQOSA-N 2 2 382.549 0.840 20 0 GCADLP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414973947 1195275134 /nfs/dbraw/zinc/27/51/34/1195275134.db2.gz JNMJGIIEZMWQTA-DOTOQJQBSA-N 2 2 378.517 0.934 20 0 GCADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000518406044 1195288536 /nfs/dbraw/zinc/28/85/36/1195288536.db2.gz PQTWHDFZRBYPFW-LJQANCHMSA-N 2 2 394.560 0.794 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000426385642 1195320478 /nfs/dbraw/zinc/32/04/78/1195320478.db2.gz PRKCHYDIJAVQPF-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000426385642 1195320482 /nfs/dbraw/zinc/32/04/82/1195320482.db2.gz PRKCHYDIJAVQPF-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000426385642 1195320486 /nfs/dbraw/zinc/32/04/86/1195320486.db2.gz PRKCHYDIJAVQPF-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000426385642 1195320489 /nfs/dbraw/zinc/32/04/89/1195320489.db2.gz PRKCHYDIJAVQPF-HOJAQTOUSA-N 2 2 390.528 0.889 20 0 GCADLP CCCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000439646597 1195339359 /nfs/dbraw/zinc/33/93/59/1195339359.db2.gz LBYGRUQRXNDDTP-DOTOQJQBSA-N 2 2 389.562 0.501 20 0 GCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439682808 1195341363 /nfs/dbraw/zinc/34/13/63/1195341363.db2.gz GDLUHGAYEUICEE-MOPGFXCFSA-N 2 2 394.560 0.794 20 0 GCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439682808 1195341366 /nfs/dbraw/zinc/34/13/66/1195341366.db2.gz GDLUHGAYEUICEE-MOPGFXCFSA-N 2 2 394.560 0.794 20 0 GCADLP CCn1cc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](OCC[NH+](CC)CC)C3)C2=O)cn1 ZINC000473643996 1195427125 /nfs/dbraw/zinc/42/71/25/1195427125.db2.gz BNVOWEFSWGEYCZ-DLBZAZTESA-N 2 2 377.489 0.968 20 0 GCADLP CCn1cc(N2C(=O)C[C@@H]([N@H+]3CC[C@H](OCC[NH+](CC)CC)C3)C2=O)cn1 ZINC000473643996 1195427127 /nfs/dbraw/zinc/42/71/27/1195427127.db2.gz BNVOWEFSWGEYCZ-DLBZAZTESA-N 2 2 377.489 0.968 20 0 GCADLP CCn1cc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](OCC[NH+](CC)CC)C3)C2=O)cn1 ZINC000473643999 1195427535 /nfs/dbraw/zinc/42/75/35/1195427535.db2.gz BNVOWEFSWGEYCZ-IRXDYDNUSA-N 2 2 377.489 0.968 20 0 GCADLP CCn1cc(N2C(=O)C[C@H]([N@H+]3CC[C@H](OCC[NH+](CC)CC)C3)C2=O)cn1 ZINC000473643999 1195427540 /nfs/dbraw/zinc/42/75/40/1195427540.db2.gz BNVOWEFSWGEYCZ-IRXDYDNUSA-N 2 2 377.489 0.968 20 0 GCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000550088211 1195432340 /nfs/dbraw/zinc/43/23/40/1195432340.db2.gz XNAQFDDAKFKQMN-IBGZPJMESA-N 2 2 388.512 0.688 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550094590 1195433407 /nfs/dbraw/zinc/43/34/07/1195433407.db2.gz CJOHUHYITFDZKH-QGZVFWFLSA-N 2 2 391.516 0.351 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550094590 1195433410 /nfs/dbraw/zinc/43/34/10/1195433410.db2.gz CJOHUHYITFDZKH-QGZVFWFLSA-N 2 2 391.516 0.351 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000550098697 1195434862 /nfs/dbraw/zinc/43/48/62/1195434862.db2.gz XDNQQOUJPBPJGL-KRWDZBQOSA-N 2 2 389.500 0.203 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000550098697 1195434864 /nfs/dbraw/zinc/43/48/64/1195434864.db2.gz XDNQQOUJPBPJGL-KRWDZBQOSA-N 2 2 389.500 0.203 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000550103737 1195436501 /nfs/dbraw/zinc/43/65/01/1195436501.db2.gz SARCCRVFESGIMB-KRWDZBQOSA-N 2 2 396.532 0.320 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000550103737 1195436504 /nfs/dbraw/zinc/43/65/04/1195436504.db2.gz SARCCRVFESGIMB-KRWDZBQOSA-N 2 2 396.532 0.320 20 0 GCADLP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000111267194 1195437985 /nfs/dbraw/zinc/43/79/85/1195437985.db2.gz JJCXILHIWNTWJZ-LJQANCHMSA-N 2 2 388.512 0.593 20 0 GCADLP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000111267194 1195437988 /nfs/dbraw/zinc/43/79/88/1195437988.db2.gz JJCXILHIWNTWJZ-LJQANCHMSA-N 2 2 388.512 0.593 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+][C@@H]2COCC2(C)C)CC3)CC1 ZINC000894559178 1195443443 /nfs/dbraw/zinc/44/34/43/1195443443.db2.gz MPKASPBVJOFQAU-MAUKXSAKSA-N 2 2 375.517 0.848 20 0 GCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000473724581 1195450917 /nfs/dbraw/zinc/45/09/17/1195450917.db2.gz PVNKUDJYYCEIGB-HNNXBMFYSA-N 2 2 390.532 0.995 20 0 GCADLP CN(C(=O)C(=O)NCc1cc[nH]n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550203286 1195460103 /nfs/dbraw/zinc/46/01/03/1195460103.db2.gz AJKCVCSTHBYFKV-QZTJIDSGSA-N 2 2 390.532 0.822 20 0 GCADLP CN(C(=O)C(=O)NCc1cc[nH]n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550203286 1195460106 /nfs/dbraw/zinc/46/01/06/1195460106.db2.gz AJKCVCSTHBYFKV-QZTJIDSGSA-N 2 2 390.532 0.822 20 0 GCADLP O=C(NCC1CC[NH+](CCO)CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000111796835 1195461945 /nfs/dbraw/zinc/46/19/45/1195461945.db2.gz MDEWMHVRECOCLA-FQEVSTJZSA-N 2 2 390.528 0.891 20 0 GCADLP O=C(NCC1CC[NH+](CCO)CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000111796835 1195461948 /nfs/dbraw/zinc/46/19/48/1195461948.db2.gz MDEWMHVRECOCLA-FQEVSTJZSA-N 2 2 390.528 0.891 20 0 GCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)C1 ZINC000550238228 1195466713 /nfs/dbraw/zinc/46/67/13/1195466713.db2.gz YEFYKUMQEXEEKO-NRFANRHFSA-N 2 2 393.576 0.463 20 0 GCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)C1 ZINC000550238228 1195466717 /nfs/dbraw/zinc/46/67/17/1195466717.db2.gz YEFYKUMQEXEEKO-NRFANRHFSA-N 2 2 393.576 0.463 20 0 GCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)C1 ZINC000550238228 1195466722 /nfs/dbraw/zinc/46/67/22/1195466722.db2.gz YEFYKUMQEXEEKO-NRFANRHFSA-N 2 2 393.576 0.463 20 0 GCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)C1 ZINC000550238228 1195466725 /nfs/dbraw/zinc/46/67/25/1195466725.db2.gz YEFYKUMQEXEEKO-NRFANRHFSA-N 2 2 393.576 0.463 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000519588446 1195489666 /nfs/dbraw/zinc/48/96/66/1195489666.db2.gz HVANAGQDODLGJX-RTBURBONSA-N 2 2 394.560 0.936 20 0 GCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000507219504 1195503430 /nfs/dbraw/zinc/50/34/30/1195503430.db2.gz YPOYVBORIFHDJS-UHFFFAOYSA-N 2 2 377.408 0.950 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000664883774 1195551250 /nfs/dbraw/zinc/55/12/50/1195551250.db2.gz MUPDWNFYGLLBMW-CIQAELJKSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000664883774 1195551252 /nfs/dbraw/zinc/55/12/52/1195551252.db2.gz MUPDWNFYGLLBMW-CIQAELJKSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000664883774 1195551260 /nfs/dbraw/zinc/55/12/60/1195551260.db2.gz MUPDWNFYGLLBMW-CIQAELJKSA-N 2 2 395.548 0.478 20 0 GCADLP CN1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000519753534 1195569545 /nfs/dbraw/zinc/56/95/45/1195569545.db2.gz VIPCLUOARFSUKQ-GOSISDBHSA-N 2 2 391.516 0.182 20 0 GCADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000519779548 1195571056 /nfs/dbraw/zinc/57/10/56/1195571056.db2.gz UJMUKELXKLVEAE-UHFFFAOYSA-N 2 2 392.544 0.692 20 0 GCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)cn1 ZINC000519821043 1195576251 /nfs/dbraw/zinc/57/62/51/1195576251.db2.gz QUSJHJMCZNYPRM-RCCFBDPRSA-N 2 2 388.516 0.040 20 0 GCADLP Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)cn1 ZINC000519821043 1195576253 /nfs/dbraw/zinc/57/62/53/1195576253.db2.gz QUSJHJMCZNYPRM-RCCFBDPRSA-N 2 2 388.516 0.040 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000519859395 1195578316 /nfs/dbraw/zinc/57/83/16/1195578316.db2.gz STKFKWZDAGXTNL-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000519859395 1195578319 /nfs/dbraw/zinc/57/83/19/1195578319.db2.gz STKFKWZDAGXTNL-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000519859393 1195578549 /nfs/dbraw/zinc/57/85/49/1195578549.db2.gz STKFKWZDAGXTNL-KRWDZBQOSA-N 2 2 382.549 0.792 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000519859393 1195578551 /nfs/dbraw/zinc/57/85/51/1195578551.db2.gz STKFKWZDAGXTNL-KRWDZBQOSA-N 2 2 382.549 0.792 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)c2)CC1 ZINC000415771463 1195578577 /nfs/dbraw/zinc/57/85/77/1195578577.db2.gz RYGUZIFPUOLJRT-UHFFFAOYSA-N 2 2 399.539 0.975 20 0 GCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000441240074 1195613875 /nfs/dbraw/zinc/61/38/75/1195613875.db2.gz AFAQJLVWXXDJKS-KZNAEPCWSA-N 2 2 382.549 0.397 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550355388 1195641802 /nfs/dbraw/zinc/64/18/02/1195641802.db2.gz FCIRITOLXSEXHD-KZNAEPCWSA-N 2 2 382.549 0.839 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000550355975 1195642580 /nfs/dbraw/zinc/64/25/80/1195642580.db2.gz KODUYLWWXOLDJF-SJORKVTESA-N 2 2 384.565 0.942 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550356772 1195642940 /nfs/dbraw/zinc/64/29/40/1195642940.db2.gz SGMLDKVSLCBYDN-GOSISDBHSA-N 2 2 398.548 0.077 20 0 GCADLP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550363639 1195644381 /nfs/dbraw/zinc/64/43/81/1195644381.db2.gz VSROABLLQLNFFX-GOSISDBHSA-N 2 2 380.533 0.618 20 0 GCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550363639 1195644383 /nfs/dbraw/zinc/64/43/83/1195644383.db2.gz VSROABLLQLNFFX-GOSISDBHSA-N 2 2 380.533 0.618 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550362270 1195645418 /nfs/dbraw/zinc/64/54/18/1195645418.db2.gz LDXRQAQFQNZTJP-SOLBZPMBSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550362270 1195645422 /nfs/dbraw/zinc/64/54/22/1195645422.db2.gz LDXRQAQFQNZTJP-SOLBZPMBSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000550374936 1195650049 /nfs/dbraw/zinc/65/00/49/1195650049.db2.gz BQLNXYPYJSVQHP-GOSISDBHSA-N 2 2 382.549 0.839 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000550383558 1195651466 /nfs/dbraw/zinc/65/14/66/1195651466.db2.gz MIVOLAJOZNYYEU-OALUTQOASA-N 2 2 393.576 0.461 20 0 GCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000653415972 1195660246 /nfs/dbraw/zinc/66/02/46/1195660246.db2.gz DSCSWNNOHLNANO-GOSISDBHSA-N 2 2 376.501 0.066 20 0 GCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000653415972 1195660247 /nfs/dbraw/zinc/66/02/47/1195660247.db2.gz DSCSWNNOHLNANO-GOSISDBHSA-N 2 2 376.501 0.066 20 0 GCADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N1CCOCC1 ZINC000328843805 1195670221 /nfs/dbraw/zinc/67/02/21/1195670221.db2.gz PRCSBBYHLPHCRR-ZWKOTPCHSA-N 2 2 388.578 0.832 20 0 GCADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N1CCOCC1 ZINC000328843805 1195670223 /nfs/dbraw/zinc/67/02/23/1195670223.db2.gz PRCSBBYHLPHCRR-ZWKOTPCHSA-N 2 2 388.578 0.832 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+][C@@H]2CCCOCC2)CC3)CC1 ZINC000328841638 1195670263 /nfs/dbraw/zinc/67/02/63/1195670263.db2.gz OTTZMIVGUBCLBT-DLBZAZTESA-N 2 2 375.517 0.992 20 0 GCADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334003807 1195734234 /nfs/dbraw/zinc/73/42/34/1195734234.db2.gz LMOKDDXJDARDEY-HZSPNIEDSA-N 2 2 393.454 0.721 20 0 GCADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334003807 1195734236 /nfs/dbraw/zinc/73/42/36/1195734236.db2.gz LMOKDDXJDARDEY-HZSPNIEDSA-N 2 2 393.454 0.721 20 0 GCADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334003809 1195734483 /nfs/dbraw/zinc/73/44/83/1195734483.db2.gz LMOKDDXJDARDEY-RDBSUJKOSA-N 2 2 393.454 0.721 20 0 GCADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334003809 1195734487 /nfs/dbraw/zinc/73/44/87/1195734487.db2.gz LMOKDDXJDARDEY-RDBSUJKOSA-N 2 2 393.454 0.721 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000729497313 1195744821 /nfs/dbraw/zinc/74/48/21/1195744821.db2.gz RKUDXWSELKWYEW-LZLYRXPVSA-N 2 2 384.546 0.357 20 0 GCADLP CN(C(=O)CCc1ncccn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520471705 1195749466 /nfs/dbraw/zinc/74/94/66/1195749466.db2.gz SOIBIEXKBXDGOX-UHFFFAOYSA-N 2 2 388.516 0.106 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000983917329 1195786956 /nfs/dbraw/zinc/78/69/56/1195786956.db2.gz HZKYXRQLOFSYHQ-NRSFXHEJSA-N 2 2 391.516 0.654 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000983917329 1195786959 /nfs/dbraw/zinc/78/69/59/1195786959.db2.gz HZKYXRQLOFSYHQ-NRSFXHEJSA-N 2 2 391.516 0.654 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000520597504 1195796286 /nfs/dbraw/zinc/79/62/86/1195796286.db2.gz QBJYEADBIKIAEO-SFHVURJKSA-N 2 2 393.532 0.788 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000520597504 1195796288 /nfs/dbraw/zinc/79/62/88/1195796288.db2.gz QBJYEADBIKIAEO-SFHVURJKSA-N 2 2 393.532 0.788 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000520597504 1195796290 /nfs/dbraw/zinc/79/62/90/1195796290.db2.gz QBJYEADBIKIAEO-SFHVURJKSA-N 2 2 393.532 0.788 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000520597504 1195796292 /nfs/dbraw/zinc/79/62/92/1195796292.db2.gz QBJYEADBIKIAEO-SFHVURJKSA-N 2 2 393.532 0.788 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000665127620 1195799535 /nfs/dbraw/zinc/79/95/35/1195799535.db2.gz IRWDWRDMMAPGCZ-ZWKOTPCHSA-N 2 2 397.564 0.191 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000665127620 1195799540 /nfs/dbraw/zinc/79/95/40/1195799540.db2.gz IRWDWRDMMAPGCZ-ZWKOTPCHSA-N 2 2 397.564 0.191 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCO1)CC2 ZINC000417667809 1195804762 /nfs/dbraw/zinc/80/47/62/1195804762.db2.gz JCSPMATWECQDMZ-INIZCTEOSA-N 2 2 378.473 0.350 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCO1)CC2 ZINC000417667809 1195804766 /nfs/dbraw/zinc/80/47/66/1195804766.db2.gz JCSPMATWECQDMZ-INIZCTEOSA-N 2 2 378.473 0.350 20 0 GCADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000579593955 1195835833 /nfs/dbraw/zinc/83/58/33/1195835833.db2.gz NESIKSXMRHSVPD-INIZCTEOSA-N 2 2 376.457 0.731 20 0 GCADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000579593955 1195835837 /nfs/dbraw/zinc/83/58/37/1195835837.db2.gz NESIKSXMRHSVPD-INIZCTEOSA-N 2 2 376.457 0.731 20 0 GCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000186140991 1195859260 /nfs/dbraw/zinc/85/92/60/1195859260.db2.gz JUIZSQVUXICCNV-RBUKOAKNSA-N 2 2 381.565 0.766 20 0 GCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000186140991 1195859263 /nfs/dbraw/zinc/85/92/63/1195859263.db2.gz JUIZSQVUXICCNV-RBUKOAKNSA-N 2 2 381.565 0.766 20 0 GCADLP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508223856 1195909862 /nfs/dbraw/zinc/90/98/62/1195909862.db2.gz HXONDBOXUKIFNM-SFHVURJKSA-N 2 2 380.533 0.549 20 0 GCADLP Cc1nc(C[NH+]2CCC(C(=O)N(C)CC(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC000428201803 1195920438 /nfs/dbraw/zinc/92/04/38/1195920438.db2.gz FOZUCCQEVRYMTI-UHFFFAOYSA-N 2 2 379.530 0.554 20 0 GCADLP O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000520819483 1195925956 /nfs/dbraw/zinc/92/59/56/1195925956.db2.gz BLAFZCZLWMBLLH-WOJBJXKFSA-N 2 2 384.524 0.807 20 0 GCADLP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000521218179 1195979403 /nfs/dbraw/zinc/97/94/03/1195979403.db2.gz CMRNYIULROGXRL-QZTJIDSGSA-N 2 2 387.528 0.429 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC(=O)N(CCOC)C3=O)CC2)CC1 ZINC000521296920 1195986154 /nfs/dbraw/zinc/98/61/54/1195986154.db2.gz WHWGAUDKRQQHNV-KRWDZBQOSA-N 2 2 394.516 0.027 20 0 GCADLP O=C(C[N@@H+]1CCCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1)N1CCCC1 ZINC000521618575 1196007788 /nfs/dbraw/zinc/00/77/88/1196007788.db2.gz RXILDUNDAXXZBN-SFHVURJKSA-N 2 2 388.516 0.578 20 0 GCADLP O=C(C[N@H+]1CCCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1)N1CCCC1 ZINC000521618575 1196007789 /nfs/dbraw/zinc/00/77/89/1196007789.db2.gz RXILDUNDAXXZBN-SFHVURJKSA-N 2 2 388.516 0.578 20 0 GCADLP O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccccc1Cn1cc[nH+]c1 ZINC000442953572 1196012511 /nfs/dbraw/zinc/01/25/11/1196012511.db2.gz YDURPGORUKZZRE-UHFFFAOYSA-N 2 2 378.498 0.914 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000522017981 1196036305 /nfs/dbraw/zinc/03/63/05/1196036305.db2.gz NMZLPUAAIWUOIQ-WMZOPIPTSA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000522017981 1196036308 /nfs/dbraw/zinc/03/63/08/1196036308.db2.gz NMZLPUAAIWUOIQ-WMZOPIPTSA-N 2 2 380.533 0.593 20 0 GCADLP C[C@@H](O)C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H](C)CO ZINC000443334786 1196040835 /nfs/dbraw/zinc/04/08/35/1196040835.db2.gz NCJUPFKNOVFQQP-DLBZAZTESA-N 2 2 379.501 0.199 20 0 GCADLP C[C@@H](O)C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H](C)CO ZINC000443334786 1196040837 /nfs/dbraw/zinc/04/08/37/1196040837.db2.gz NCJUPFKNOVFQQP-DLBZAZTESA-N 2 2 379.501 0.199 20 0 GCADLP COCC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000550478814 1196052441 /nfs/dbraw/zinc/05/24/41/1196052441.db2.gz KZXGIUGPUOEPAW-INIZCTEOSA-N 2 2 376.501 0.544 20 0 GCADLP COCC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000550478814 1196052444 /nfs/dbraw/zinc/05/24/44/1196052444.db2.gz KZXGIUGPUOEPAW-INIZCTEOSA-N 2 2 376.501 0.544 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC001087610540 1196052554 /nfs/dbraw/zinc/05/25/54/1196052554.db2.gz OOWJFMLNKPHJMV-HGTKMLMNSA-N 2 2 388.472 0.424 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCCN1C(=O)CNC1=O ZINC001087610540 1196052557 /nfs/dbraw/zinc/05/25/57/1196052557.db2.gz OOWJFMLNKPHJMV-HGTKMLMNSA-N 2 2 388.472 0.424 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC001087610540 1196052559 /nfs/dbraw/zinc/05/25/59/1196052559.db2.gz OOWJFMLNKPHJMV-HGTKMLMNSA-N 2 2 388.472 0.424 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCCN1C(=O)CNC1=O ZINC001087610540 1196052563 /nfs/dbraw/zinc/05/25/63/1196052563.db2.gz OOWJFMLNKPHJMV-HGTKMLMNSA-N 2 2 388.472 0.424 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cncc(OC)n1 ZINC001087622626 1196052960 /nfs/dbraw/zinc/05/29/60/1196052960.db2.gz XRMDHSUHBZKQCA-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cncc(OC)n1 ZINC001087622626 1196052961 /nfs/dbraw/zinc/05/29/61/1196052961.db2.gz XRMDHSUHBZKQCA-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cncc(OC)n1 ZINC001087622626 1196052962 /nfs/dbraw/zinc/05/29/62/1196052962.db2.gz XRMDHSUHBZKQCA-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cncc(OC)n1 ZINC001087622626 1196052964 /nfs/dbraw/zinc/05/29/64/1196052964.db2.gz XRMDHSUHBZKQCA-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001087622245 1196053342 /nfs/dbraw/zinc/05/33/42/1196053342.db2.gz BGYHTXFKMCCWQC-XMTFNYHQSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001087622245 1196053346 /nfs/dbraw/zinc/05/33/46/1196053346.db2.gz BGYHTXFKMCCWQC-XMTFNYHQSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001087622245 1196053348 /nfs/dbraw/zinc/05/33/48/1196053348.db2.gz BGYHTXFKMCCWQC-XMTFNYHQSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001087622245 1196053352 /nfs/dbraw/zinc/05/33/52/1196053352.db2.gz BGYHTXFKMCCWQC-XMTFNYHQSA-N 2 2 380.533 0.687 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000550494280 1196056501 /nfs/dbraw/zinc/05/65/01/1196056501.db2.gz NBTWMBRFCLHWAW-UHFFFAOYSA-N 3 2 393.576 0.652 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](CC)C[C@@H]3C)[nH]n2)[C@@H](C)C1 ZINC000614708756 1196090956 /nfs/dbraw/zinc/09/09/56/1196090956.db2.gz AWGIRMUZKZIABQ-GJZGRUSLSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](CC)C[C@@H]3C)[nH]n2)[C@@H](C)C1 ZINC000614708756 1196090960 /nfs/dbraw/zinc/09/09/60/1196090960.db2.gz AWGIRMUZKZIABQ-GJZGRUSLSA-N 2 2 376.505 0.742 20 0 GCADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895686026 1196107656 /nfs/dbraw/zinc/10/76/56/1196107656.db2.gz QFWHOGUGWJBPHD-KRWDZBQOSA-N 2 2 386.496 0.669 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000474720445 1196145817 /nfs/dbraw/zinc/14/58/17/1196145817.db2.gz BVUIZLUIGOOGLD-QZTJIDSGSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000474720445 1196145819 /nfs/dbraw/zinc/14/58/19/1196145819.db2.gz BVUIZLUIGOOGLD-QZTJIDSGSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000474720445 1196145821 /nfs/dbraw/zinc/14/58/21/1196145821.db2.gz BVUIZLUIGOOGLD-QZTJIDSGSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000474720445 1196145824 /nfs/dbraw/zinc/14/58/24/1196145824.db2.gz BVUIZLUIGOOGLD-QZTJIDSGSA-N 2 2 380.533 0.546 20 0 GCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400902 1196146733 /nfs/dbraw/zinc/14/67/33/1196146733.db2.gz OPZMPTIMFFUAQA-YJBOKZPZSA-N 2 2 376.505 0.313 20 0 GCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400902 1196146734 /nfs/dbraw/zinc/14/67/34/1196146734.db2.gz OPZMPTIMFFUAQA-YJBOKZPZSA-N 2 2 376.505 0.313 20 0 GCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400902 1196146736 /nfs/dbraw/zinc/14/67/36/1196146736.db2.gz OPZMPTIMFFUAQA-YJBOKZPZSA-N 2 2 376.505 0.313 20 0 GCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400902 1196146737 /nfs/dbraw/zinc/14/67/37/1196146737.db2.gz OPZMPTIMFFUAQA-YJBOKZPZSA-N 2 2 376.505 0.313 20 0 GCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400901 1196146891 /nfs/dbraw/zinc/14/68/91/1196146891.db2.gz OPZMPTIMFFUAQA-QAPCUYQASA-N 2 2 376.505 0.313 20 0 GCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400901 1196146894 /nfs/dbraw/zinc/14/68/94/1196146894.db2.gz OPZMPTIMFFUAQA-QAPCUYQASA-N 2 2 376.505 0.313 20 0 GCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400901 1196146896 /nfs/dbraw/zinc/14/68/96/1196146896.db2.gz OPZMPTIMFFUAQA-QAPCUYQASA-N 2 2 376.505 0.313 20 0 GCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400901 1196146898 /nfs/dbraw/zinc/14/68/98/1196146898.db2.gz OPZMPTIMFFUAQA-QAPCUYQASA-N 2 2 376.505 0.313 20 0 GCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000896506441 1196151927 /nfs/dbraw/zinc/15/19/27/1196151927.db2.gz ODXLUCXTWIVKRI-MRXNPFEDSA-N 2 2 388.516 0.835 20 0 GCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000896506441 1196151928 /nfs/dbraw/zinc/15/19/28/1196151928.db2.gz ODXLUCXTWIVKRI-MRXNPFEDSA-N 2 2 388.516 0.835 20 0 GCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000896506441 1196151930 /nfs/dbraw/zinc/15/19/30/1196151930.db2.gz ODXLUCXTWIVKRI-MRXNPFEDSA-N 2 2 388.516 0.835 20 0 GCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000896506441 1196151931 /nfs/dbraw/zinc/15/19/31/1196151931.db2.gz ODXLUCXTWIVKRI-MRXNPFEDSA-N 2 2 388.516 0.835 20 0 GCADLP C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896553156 1196162452 /nfs/dbraw/zinc/16/24/52/1196162452.db2.gz RVMHLTJBHDVLRO-NVXWUHKLSA-N 2 2 397.564 0.726 20 0 GCADLP C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896553156 1196162455 /nfs/dbraw/zinc/16/24/55/1196162455.db2.gz RVMHLTJBHDVLRO-NVXWUHKLSA-N 2 2 397.564 0.726 20 0 GCADLP C[C@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896553135 1196162589 /nfs/dbraw/zinc/16/25/89/1196162589.db2.gz RVMHLTJBHDVLRO-DOTOQJQBSA-N 2 2 397.564 0.726 20 0 GCADLP C[C@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896553135 1196162591 /nfs/dbraw/zinc/16/25/91/1196162591.db2.gz RVMHLTJBHDVLRO-DOTOQJQBSA-N 2 2 397.564 0.726 20 0 GCADLP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896553826 1196162682 /nfs/dbraw/zinc/16/26/82/1196162682.db2.gz BUSVLNSKWQWUAS-IAGOWNOFSA-N 2 2 397.564 0.680 20 0 GCADLP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896553826 1196162684 /nfs/dbraw/zinc/16/26/84/1196162684.db2.gz BUSVLNSKWQWUAS-IAGOWNOFSA-N 2 2 397.564 0.680 20 0 GCADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000329090076 1196162843 /nfs/dbraw/zinc/16/28/43/1196162843.db2.gz IVSKYXVREAYUMH-GOSISDBHSA-N 2 2 385.512 0.361 20 0 GCADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000329090076 1196162845 /nfs/dbraw/zinc/16/28/45/1196162845.db2.gz IVSKYXVREAYUMH-GOSISDBHSA-N 2 2 385.512 0.361 20 0 GCADLP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896553827 1196162882 /nfs/dbraw/zinc/16/28/82/1196162882.db2.gz BUSVLNSKWQWUAS-IRXDYDNUSA-N 2 2 397.564 0.680 20 0 GCADLP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896553827 1196162883 /nfs/dbraw/zinc/16/28/83/1196162883.db2.gz BUSVLNSKWQWUAS-IRXDYDNUSA-N 2 2 397.564 0.680 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[NH+]2C)CC1=O ZINC000896564868 1196164950 /nfs/dbraw/zinc/16/49/50/1196164950.db2.gz TZZJWYUUYHYVEG-BSDSXHPESA-N 2 2 379.549 0.070 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[NH+]2C)CC1=O ZINC000896564868 1196164952 /nfs/dbraw/zinc/16/49/52/1196164952.db2.gz TZZJWYUUYHYVEG-BSDSXHPESA-N 2 2 379.549 0.070 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1=O ZINC000896564868 1196164954 /nfs/dbraw/zinc/16/49/54/1196164954.db2.gz TZZJWYUUYHYVEG-BSDSXHPESA-N 2 2 379.549 0.070 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1=O ZINC000896564868 1196164956 /nfs/dbraw/zinc/16/49/56/1196164956.db2.gz TZZJWYUUYHYVEG-BSDSXHPESA-N 2 2 379.549 0.070 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2CN(C)CC[NH+]2C)CC1=O ZINC000896564870 1196165295 /nfs/dbraw/zinc/16/52/95/1196165295.db2.gz TZZJWYUUYHYVEG-TVFCKZIOSA-N 2 2 379.549 0.070 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2CN(C)CC[NH+]2C)CC1=O ZINC000896564870 1196165299 /nfs/dbraw/zinc/16/52/99/1196165299.db2.gz TZZJWYUUYHYVEG-TVFCKZIOSA-N 2 2 379.549 0.070 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1=O ZINC000896564870 1196165302 /nfs/dbraw/zinc/16/53/02/1196165302.db2.gz TZZJWYUUYHYVEG-TVFCKZIOSA-N 2 2 379.549 0.070 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1=O ZINC000896564870 1196165304 /nfs/dbraw/zinc/16/53/04/1196165304.db2.gz TZZJWYUUYHYVEG-TVFCKZIOSA-N 2 2 379.549 0.070 20 0 GCADLP CN(C(=O)CC[C@H]1CCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329138181 1196167216 /nfs/dbraw/zinc/16/72/16/1196167216.db2.gz DQVOEKDNTMKWOS-GOSISDBHSA-N 2 2 380.533 0.642 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329249474 1196179856 /nfs/dbraw/zinc/17/98/56/1196179856.db2.gz ASMMBGJXBUDHTA-ZWKOTPCHSA-N 2 2 378.517 0.395 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329249474 1196179858 /nfs/dbraw/zinc/17/98/58/1196179858.db2.gz ASMMBGJXBUDHTA-ZWKOTPCHSA-N 2 2 378.517 0.395 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329249474 1196179861 /nfs/dbraw/zinc/17/98/61/1196179861.db2.gz ASMMBGJXBUDHTA-ZWKOTPCHSA-N 2 2 378.517 0.395 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329249474 1196179865 /nfs/dbraw/zinc/17/98/65/1196179865.db2.gz ASMMBGJXBUDHTA-ZWKOTPCHSA-N 2 2 378.517 0.395 20 0 GCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329374390 1196189673 /nfs/dbraw/zinc/18/96/73/1196189673.db2.gz LBJQSQYLHLOMFO-KZNAEPCWSA-N 2 2 378.517 0.252 20 0 GCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329469375 1196199005 /nfs/dbraw/zinc/19/90/05/1196199005.db2.gz XMJFXGZUTVPGJM-MOPGFXCFSA-N 2 2 392.544 0.644 20 0 GCADLP CC[C@H]1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329487013 1196200381 /nfs/dbraw/zinc/20/03/81/1196200381.db2.gz GMAPRCKGABVZEY-MJGOQNOKSA-N 2 2 394.560 0.888 20 0 GCADLP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329651286 1196215711 /nfs/dbraw/zinc/21/57/11/1196215711.db2.gz CSLUJFFXMRFZHX-JKSUJKDBSA-N 2 2 393.532 0.438 20 0 GCADLP CCn1nc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011446 1196216405 /nfs/dbraw/zinc/21/64/05/1196216405.db2.gz NMIFMFAIORMVNT-VYCZESIESA-N 2 2 390.532 0.606 20 0 GCADLP CCn1nc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011446 1196216408 /nfs/dbraw/zinc/21/64/08/1196216408.db2.gz NMIFMFAIORMVNT-VYCZESIESA-N 2 2 390.532 0.606 20 0 GCADLP CCn1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011446 1196216410 /nfs/dbraw/zinc/21/64/10/1196216410.db2.gz NMIFMFAIORMVNT-VYCZESIESA-N 2 2 390.532 0.606 20 0 GCADLP CCn1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011446 1196216413 /nfs/dbraw/zinc/21/64/13/1196216413.db2.gz NMIFMFAIORMVNT-VYCZESIESA-N 2 2 390.532 0.606 20 0 GCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011358 1196216615 /nfs/dbraw/zinc/21/66/15/1196216615.db2.gz JTJJEFUNGJQHNS-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011358 1196216616 /nfs/dbraw/zinc/21/66/16/1196216616.db2.gz JTJJEFUNGJQHNS-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011358 1196216619 /nfs/dbraw/zinc/21/66/19/1196216619.db2.gz JTJJEFUNGJQHNS-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011358 1196216622 /nfs/dbraw/zinc/21/66/22/1196216622.db2.gz JTJJEFUNGJQHNS-XLMAVXFVSA-N 2 2 389.500 0.485 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnc(C5CC5)o4)CC[C@@H]3C2)O1 ZINC001088011848 1196217016 /nfs/dbraw/zinc/21/70/16/1196217016.db2.gz GMOZHLNLHSWBDI-MXASKKJJSA-N 2 2 389.500 0.946 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnc(C5CC5)o4)CC[C@@H]3C2)O1 ZINC001088011848 1196217018 /nfs/dbraw/zinc/21/70/18/1196217018.db2.gz GMOZHLNLHSWBDI-MXASKKJJSA-N 2 2 389.500 0.946 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C5CC5)o4)CC[C@@H]3C2)O1 ZINC001088011848 1196217021 /nfs/dbraw/zinc/21/70/21/1196217021.db2.gz GMOZHLNLHSWBDI-MXASKKJJSA-N 2 2 389.500 0.946 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C5CC5)o4)CC[C@@H]3C2)O1 ZINC001088011848 1196217024 /nfs/dbraw/zinc/21/70/24/1196217024.db2.gz GMOZHLNLHSWBDI-MXASKKJJSA-N 2 2 389.500 0.946 20 0 GCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1C ZINC001088012216 1196217257 /nfs/dbraw/zinc/21/72/57/1196217257.db2.gz YJOYPFLESVAYJR-WCXIOVBPSA-N 2 2 390.532 0.377 20 0 GCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1C ZINC001088012216 1196217260 /nfs/dbraw/zinc/21/72/60/1196217260.db2.gz YJOYPFLESVAYJR-WCXIOVBPSA-N 2 2 390.532 0.377 20 0 GCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1C ZINC001088012216 1196217264 /nfs/dbraw/zinc/21/72/64/1196217264.db2.gz YJOYPFLESVAYJR-WCXIOVBPSA-N 2 2 390.532 0.377 20 0 GCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1C ZINC001088012216 1196217269 /nfs/dbraw/zinc/21/72/69/1196217269.db2.gz YJOYPFLESVAYJR-WCXIOVBPSA-N 2 2 390.532 0.377 20 0 GCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011722 1196217596 /nfs/dbraw/zinc/21/75/96/1196217596.db2.gz AFYOBMNEMOEHGG-NRSFXHEJSA-N 2 2 390.532 0.606 20 0 GCADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011722 1196217600 /nfs/dbraw/zinc/21/76/00/1196217600.db2.gz AFYOBMNEMOEHGG-NRSFXHEJSA-N 2 2 390.532 0.606 20 0 GCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011722 1196217602 /nfs/dbraw/zinc/21/76/02/1196217602.db2.gz AFYOBMNEMOEHGG-NRSFXHEJSA-N 2 2 390.532 0.606 20 0 GCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011722 1196217605 /nfs/dbraw/zinc/21/76/05/1196217605.db2.gz AFYOBMNEMOEHGG-NRSFXHEJSA-N 2 2 390.532 0.606 20 0 GCADLP C[NH+](C)[C@@]1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCSC1 ZINC000443900083 1196223939 /nfs/dbraw/zinc/22/39/39/1196223939.db2.gz MNWZCTRRKVPHSK-QGZVFWFLSA-N 2 2 382.534 0.774 20 0 GCADLP CC[C@H]1CC[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000329824991 1196232832 /nfs/dbraw/zinc/23/28/32/1196232832.db2.gz QTAFZVWMXYKAKJ-ZWKOTPCHSA-N 2 2 380.533 0.641 20 0 GCADLP Cc1cc(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000329888677 1196236278 /nfs/dbraw/zinc/23/62/78/1196236278.db2.gz ZGTYYEHAUOIPGC-UHFFFAOYSA-N 2 2 377.489 0.222 20 0 GCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000330035252 1196247831 /nfs/dbraw/zinc/24/78/31/1196247831.db2.gz XENSSMYSFFPMSO-UHFFFAOYSA-N 2 2 399.499 0.603 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2(C(=O)N3CC[NH+](CC)CC3)CCOCC2)CC1 ZINC000330099484 1196252620 /nfs/dbraw/zinc/25/26/20/1196252620.db2.gz DAWVNFMAQUWSGP-UHFFFAOYSA-N 2 2 380.533 0.502 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC[C@@H]21 ZINC000330127263 1196254686 /nfs/dbraw/zinc/25/46/86/1196254686.db2.gz MSEYIUYLSYGAQY-KURKYZTESA-N 2 2 378.517 0.110 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC[C@@H]21 ZINC000330127263 1196254688 /nfs/dbraw/zinc/25/46/88/1196254688.db2.gz MSEYIUYLSYGAQY-KURKYZTESA-N 2 2 378.517 0.110 20 0 GCADLP CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000281419389 1196294503 /nfs/dbraw/zinc/29/45/03/1196294503.db2.gz OPLLONZSEVCSHI-OAHLLOKOSA-N 2 2 387.488 0.513 20 0 GCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000281419389 1196294506 /nfs/dbraw/zinc/29/45/06/1196294506.db2.gz OPLLONZSEVCSHI-OAHLLOKOSA-N 2 2 387.488 0.513 20 0 GCADLP CNc1nc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)nc(N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)[nH+]1 ZINC000896914385 1196368594 /nfs/dbraw/zinc/36/85/94/1196368594.db2.gz DBHMVFWVQHBJRD-IQGAEYHTSA-N 3 2 386.548 0.111 20 0 GCADLP CNc1nc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)nc(N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)[nH+]1 ZINC000896914385 1196368596 /nfs/dbraw/zinc/36/85/96/1196368596.db2.gz DBHMVFWVQHBJRD-IQGAEYHTSA-N 3 2 386.548 0.111 20 0 GCADLP 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)[nH+]1 ZINC000896914385 1196368599 /nfs/dbraw/zinc/36/85/99/1196368599.db2.gz DBHMVFWVQHBJRD-IQGAEYHTSA-N 3 2 386.548 0.111 20 0 GCADLP 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)[nH+]1 ZINC000896914385 1196368601 /nfs/dbraw/zinc/36/86/01/1196368601.db2.gz DBHMVFWVQHBJRD-IQGAEYHTSA-N 3 2 386.548 0.111 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000103151059 1196373922 /nfs/dbraw/zinc/37/39/22/1196373922.db2.gz GKIDFJNFPUMVCZ-UHFFFAOYSA-N 2 2 384.480 0.913 20 0 GCADLP C[C@@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCO1 ZINC000655709914 1196397427 /nfs/dbraw/zinc/39/74/27/1196397427.db2.gz PENPFDGDAGEKCG-LZQZEXGQSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@@H](NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCO1 ZINC000655709914 1196397430 /nfs/dbraw/zinc/39/74/30/1196397430.db2.gz PENPFDGDAGEKCG-LZQZEXGQSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000655709914 1196397432 /nfs/dbraw/zinc/39/74/32/1196397432.db2.gz PENPFDGDAGEKCG-LZQZEXGQSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000655709914 1196397435 /nfs/dbraw/zinc/39/74/35/1196397435.db2.gz PENPFDGDAGEKCG-LZQZEXGQSA-N 2 2 376.501 0.424 20 0 GCADLP CC(C)(CNC(=O)C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1)[NH+]1CCOCC1 ZINC000639765853 1196491191 /nfs/dbraw/zinc/49/11/91/1196491191.db2.gz IDIXIGLYHVCLLH-WMZOPIPTSA-N 2 2 383.533 0.513 20 0 GCADLP O=C(CCNC(=O)NCCC[NH+]1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000523657273 1196543712 /nfs/dbraw/zinc/54/37/12/1196543712.db2.gz KTIZDRXJGMXCSU-UHFFFAOYSA-N 2 2 388.516 0.905 20 0 GCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367195582 1196561801 /nfs/dbraw/zinc/56/18/01/1196561801.db2.gz JNXMFBSKRXQQCE-ZWKOTPCHSA-N 2 2 381.565 0.765 20 0 GCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367195582 1196561806 /nfs/dbraw/zinc/56/18/06/1196561806.db2.gz JNXMFBSKRXQQCE-ZWKOTPCHSA-N 2 2 381.565 0.765 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925174404 1196595979 /nfs/dbraw/zinc/59/59/79/1196595979.db2.gz CUMUVNUMKQOFIS-GPMSIDNRSA-N 2 2 398.573 0.481 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925174404 1196595982 /nfs/dbraw/zinc/59/59/82/1196595982.db2.gz CUMUVNUMKQOFIS-GPMSIDNRSA-N 2 2 398.573 0.481 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925174404 1196595984 /nfs/dbraw/zinc/59/59/84/1196595984.db2.gz CUMUVNUMKQOFIS-GPMSIDNRSA-N 2 2 398.573 0.481 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925174404 1196595989 /nfs/dbraw/zinc/59/59/89/1196595989.db2.gz CUMUVNUMKQOFIS-GPMSIDNRSA-N 2 2 398.573 0.481 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925174399 1196596314 /nfs/dbraw/zinc/59/63/14/1196596314.db2.gz CUMUVNUMKQOFIS-FRQCXROJSA-N 2 2 398.573 0.481 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925174399 1196596317 /nfs/dbraw/zinc/59/63/17/1196596317.db2.gz CUMUVNUMKQOFIS-FRQCXROJSA-N 2 2 398.573 0.481 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925174399 1196596318 /nfs/dbraw/zinc/59/63/18/1196596318.db2.gz CUMUVNUMKQOFIS-FRQCXROJSA-N 2 2 398.573 0.481 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925174399 1196596321 /nfs/dbraw/zinc/59/63/21/1196596321.db2.gz CUMUVNUMKQOFIS-FRQCXROJSA-N 2 2 398.573 0.481 20 0 GCADLP CCC[C@@]1(C)C(=O)NCC[NH+]1CCOCC[N@@H+]1CCNC(=O)[C@]1(C)CCC ZINC000445890562 1196597753 /nfs/dbraw/zinc/59/77/53/1196597753.db2.gz OMMFNPKIWCMAQV-PMACEKPBSA-N 2 2 382.549 0.984 20 0 GCADLP CCC[C@@]1(C)C(=O)NCC[NH+]1CCOCC[N@H+]1CCNC(=O)[C@]1(C)CCC ZINC000445890562 1196597757 /nfs/dbraw/zinc/59/77/57/1196597757.db2.gz OMMFNPKIWCMAQV-PMACEKPBSA-N 2 2 382.549 0.984 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000524780257 1196624146 /nfs/dbraw/zinc/62/41/46/1196624146.db2.gz WGBVCZZZOMHHBV-IRXDYDNUSA-N 2 2 388.516 0.902 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000524780257 1196624150 /nfs/dbraw/zinc/62/41/50/1196624150.db2.gz WGBVCZZZOMHHBV-IRXDYDNUSA-N 2 2 388.516 0.902 20 0 GCADLP C[C@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000524780255 1196624177 /nfs/dbraw/zinc/62/41/77/1196624177.db2.gz WGBVCZZZOMHHBV-DLBZAZTESA-N 2 2 388.516 0.902 20 0 GCADLP C[C@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000524780255 1196624179 /nfs/dbraw/zinc/62/41/79/1196624179.db2.gz WGBVCZZZOMHHBV-DLBZAZTESA-N 2 2 388.516 0.902 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446257593 1196629022 /nfs/dbraw/zinc/62/90/22/1196629022.db2.gz GQAUXUIMVQCHFZ-YRISNDGFSA-N 2 2 394.560 0.922 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446257593 1196629024 /nfs/dbraw/zinc/62/90/24/1196629024.db2.gz GQAUXUIMVQCHFZ-YRISNDGFSA-N 2 2 394.560 0.922 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631986488 1196763111 /nfs/dbraw/zinc/76/31/11/1196763111.db2.gz DVYDCLAXANKMNM-GOSISDBHSA-N 2 2 395.573 0.997 20 0 GCADLP CN(C(=O)[C@H]1CCC[C@H](O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000527129623 1196765841 /nfs/dbraw/zinc/76/58/41/1196765841.db2.gz LSTZFTJXIXRGRE-WMZOPIPTSA-N 2 2 380.533 0.234 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000448530731 1196813994 /nfs/dbraw/zinc/81/39/94/1196813994.db2.gz FXANHBQNKPRUPV-UHFFFAOYSA-N 2 2 385.472 0.695 20 0 GCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528451997 1196860140 /nfs/dbraw/zinc/86/01/40/1196860140.db2.gz QAJVSWHUSMYKKD-MIALQEHNSA-N 2 2 394.560 0.743 20 0 GCADLP C[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)[C@@H]1C1CC1 ZINC000528454603 1196861261 /nfs/dbraw/zinc/86/12/61/1196861261.db2.gz YMBVXAUUFIBFHT-RYGJVYDSSA-N 2 2 376.545 0.975 20 0 GCADLP C[C@]1(CO)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@]1(C)CO ZINC000528749715 1196884201 /nfs/dbraw/zinc/88/42/01/1196884201.db2.gz XOCPLWTUHLQJJF-OYRHEFFESA-N 2 2 375.513 0.644 20 0 GCADLP C[C@]1(CO)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@]1(C)CO ZINC000528749715 1196884210 /nfs/dbraw/zinc/88/42/10/1196884210.db2.gz XOCPLWTUHLQJJF-OYRHEFFESA-N 2 2 375.513 0.644 20 0 GCADLP CC[C@@H](C)[C@H](OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000475657132 1196885838 /nfs/dbraw/zinc/88/58/38/1196885838.db2.gz SGFOCLGJYPVJDX-APWZRJJASA-N 2 2 382.549 0.744 20 0 GCADLP CCCn1c(N)c(C(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(=O)[nH]c1=O ZINC000530241251 1196969465 /nfs/dbraw/zinc/96/94/65/1196969465.db2.gz OSNPZDBJBJKNQP-AWEZNQCLSA-N 2 2 393.488 0.214 20 0 GCADLP COC[C@@]1(C(=O)OC)CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451332819 1196989064 /nfs/dbraw/zinc/98/90/64/1196989064.db2.gz IRDQTXFONJERFB-OXQOHEQNSA-N 2 2 390.484 0.630 20 0 GCADLP COC[C@@]1(C(=O)OC)CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451332819 1196989066 /nfs/dbraw/zinc/98/90/66/1196989066.db2.gz IRDQTXFONJERFB-OXQOHEQNSA-N 2 2 390.484 0.630 20 0 GCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000530809060 1197018342 /nfs/dbraw/zinc/01/83/42/1197018342.db2.gz ADYJAIHNMPGEHD-UHFFFAOYSA-N 2 2 386.456 0.918 20 0 GCADLP COC[C@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000451928476 1197024250 /nfs/dbraw/zinc/02/42/50/1197024250.db2.gz OTDPMWOYPLYOEC-OAQYLSRUSA-N 2 2 375.513 0.970 20 0 GCADLP COC[C@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000451928476 1197024256 /nfs/dbraw/zinc/02/42/56/1197024256.db2.gz OTDPMWOYPLYOEC-OAQYLSRUSA-N 2 2 375.513 0.970 20 0 GCADLP COCCNS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655728900 1197098857 /nfs/dbraw/zinc/09/88/57/1197098857.db2.gz ZXIJGLHKNOXLMG-GOSISDBHSA-N 2 2 397.541 0.954 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC1=O ZINC000171728993 1197158851 /nfs/dbraw/zinc/15/88/51/1197158851.db2.gz FLICKPXXKFASPK-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC1=O ZINC000171728993 1197158853 /nfs/dbraw/zinc/15/88/53/1197158853.db2.gz FLICKPXXKFASPK-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1=O ZINC000171728993 1197158856 /nfs/dbraw/zinc/15/88/56/1197158856.db2.gz FLICKPXXKFASPK-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)CC1=O ZINC000171728993 1197158859 /nfs/dbraw/zinc/15/88/59/1197158859.db2.gz FLICKPXXKFASPK-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986429883 1197169923 /nfs/dbraw/zinc/16/99/23/1197169923.db2.gz ZUKMNDYORILSRM-YYIAUSFCSA-N 2 2 383.496 0.916 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986429883 1197169927 /nfs/dbraw/zinc/16/99/27/1197169927.db2.gz ZUKMNDYORILSRM-YYIAUSFCSA-N 2 2 383.496 0.916 20 0 GCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000182820091 1197207488 /nfs/dbraw/zinc/20/74/88/1197207488.db2.gz TZYJVWIFCAJJDG-WBVHZDCISA-N 2 2 386.562 0.621 20 0 GCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000182820091 1197207491 /nfs/dbraw/zinc/20/74/91/1197207491.db2.gz TZYJVWIFCAJJDG-WBVHZDCISA-N 2 2 386.562 0.621 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666125099 1197212201 /nfs/dbraw/zinc/21/22/01/1197212201.db2.gz RSFVXBQZDNWJEQ-KRWDZBQOSA-N 2 2 392.504 0.590 20 0 GCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188742332 1197233293 /nfs/dbraw/zinc/23/32/93/1197233293.db2.gz BZJBVEYMISQWEY-UHFFFAOYSA-N 2 2 385.468 0.696 20 0 GCADLP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188854333 1197234616 /nfs/dbraw/zinc/23/46/16/1197234616.db2.gz ISQHEQYVBYMSJS-UHFFFAOYSA-N 2 2 382.512 0.993 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190220030 1197240122 /nfs/dbraw/zinc/24/01/22/1197240122.db2.gz LCRXLLFDKIZEQY-GHTZIAJQSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190220030 1197240128 /nfs/dbraw/zinc/24/01/28/1197240128.db2.gz LCRXLLFDKIZEQY-GHTZIAJQSA-N 2 2 390.528 0.986 20 0 GCADLP CN1CC[NH+](CCCCNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000532428948 1197294311 /nfs/dbraw/zinc/29/43/11/1197294311.db2.gz OXVWEXWKMVBWRJ-RBUKOAKNSA-N 2 2 381.565 0.957 20 0 GCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000897453383 1197333630 /nfs/dbraw/zinc/33/36/30/1197333630.db2.gz KNRZCKACPAEUGI-MOPGFXCFSA-N 2 2 387.528 0.302 20 0 GCADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000897453383 1197333631 /nfs/dbraw/zinc/33/36/31/1197333631.db2.gz KNRZCKACPAEUGI-MOPGFXCFSA-N 2 2 387.528 0.302 20 0 GCADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000897453384 1197333758 /nfs/dbraw/zinc/33/37/58/1197333758.db2.gz KNRZCKACPAEUGI-OALUTQOASA-N 2 2 387.528 0.302 20 0 GCADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000897453384 1197333760 /nfs/dbraw/zinc/33/37/60/1197333760.db2.gz KNRZCKACPAEUGI-OALUTQOASA-N 2 2 387.528 0.302 20 0 GCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000123574037 1197350817 /nfs/dbraw/zinc/35/08/17/1197350817.db2.gz GRPXNAWICAETKN-AWEZNQCLSA-N 2 2 391.497 0.961 20 0 GCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000123574037 1197350823 /nfs/dbraw/zinc/35/08/23/1197350823.db2.gz GRPXNAWICAETKN-AWEZNQCLSA-N 2 2 391.497 0.961 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)NC3CC3)CC2)CC1 ZINC000127494066 1197361214 /nfs/dbraw/zinc/36/12/14/1197361214.db2.gz YQOLGLMBPKFRCU-GOSISDBHSA-N 2 2 377.533 0.998 20 0 GCADLP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(=O)N1CCCCC1 ZINC000051960130 1197384018 /nfs/dbraw/zinc/38/40/18/1197384018.db2.gz FHATZHSWIHZIMD-QGZVFWFLSA-N 2 2 380.533 0.548 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)c2)CC1 ZINC000194924170 1197400006 /nfs/dbraw/zinc/40/00/06/1197400006.db2.gz HLDAMZJUIDTNLH-HDICACEKSA-N 2 2 385.512 0.393 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2)CC1 ZINC000194924170 1197400010 /nfs/dbraw/zinc/40/00/10/1197400010.db2.gz HLDAMZJUIDTNLH-HDICACEKSA-N 2 2 385.512 0.393 20 0 GCADLP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000195259679 1197400558 /nfs/dbraw/zinc/40/05/58/1197400558.db2.gz OLQYZQBYZZODJX-MRXNPFEDSA-N 2 2 380.533 0.546 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000246038197 1197443667 /nfs/dbraw/zinc/44/36/67/1197443667.db2.gz BBLGYWZRVACYJM-OALUTQOASA-N 2 2 387.528 0.773 20 0 GCADLP COCCn1c(N)c(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(=O)[nH]c1=O ZINC000533408213 1197450106 /nfs/dbraw/zinc/45/01/06/1197450106.db2.gz MIDYXUTZYQTBEK-UHFFFAOYSA-N 2 2 395.504 0.412 20 0 GCADLP COCCn1c(N)c(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(=O)[nH]c1=O ZINC000533408213 1197450108 /nfs/dbraw/zinc/45/01/08/1197450108.db2.gz MIDYXUTZYQTBEK-UHFFFAOYSA-N 2 2 395.504 0.412 20 0 GCADLP CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650373 1197464761 /nfs/dbraw/zinc/46/47/61/1197464761.db2.gz YSKJEWHWGKRIIV-ZIAGYGMSSA-N 2 2 392.504 0.879 20 0 GCADLP CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650373 1197464762 /nfs/dbraw/zinc/46/47/62/1197464762.db2.gz YSKJEWHWGKRIIV-ZIAGYGMSSA-N 2 2 392.504 0.879 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1=O ZINC000246361431 1197465962 /nfs/dbraw/zinc/46/59/62/1197465962.db2.gz FKMXFGOGJAQCRS-XMTFNYHQSA-N 2 2 380.533 0.545 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1=O ZINC000246361431 1197465963 /nfs/dbraw/zinc/46/59/63/1197465963.db2.gz FKMXFGOGJAQCRS-XMTFNYHQSA-N 2 2 380.533 0.545 20 0 GCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000074175448 1197471461 /nfs/dbraw/zinc/47/14/61/1197471461.db2.gz HKAPQWSCQIVVAR-LJQANCHMSA-N 2 2 376.501 0.972 20 0 GCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000074175448 1197471463 /nfs/dbraw/zinc/47/14/63/1197471463.db2.gz HKAPQWSCQIVVAR-LJQANCHMSA-N 2 2 376.501 0.972 20 0 GCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000428571240 1197472029 /nfs/dbraw/zinc/47/20/29/1197472029.db2.gz FCCFSAVEIBBYSY-OAHLLOKOSA-N 2 2 376.505 0.948 20 0 GCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000428571240 1197472030 /nfs/dbraw/zinc/47/20/30/1197472030.db2.gz FCCFSAVEIBBYSY-OAHLLOKOSA-N 2 2 376.505 0.948 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000249766814 1197482866 /nfs/dbraw/zinc/48/28/66/1197482866.db2.gz PRJJQPIYFKXEMG-KGLIPLIRSA-N 2 2 378.439 0.928 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000249766814 1197482868 /nfs/dbraw/zinc/48/28/68/1197482868.db2.gz PRJJQPIYFKXEMG-KGLIPLIRSA-N 2 2 378.439 0.928 20 0 GCADLP [NH3+][C@@H]1C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1c1ccccc1 ZINC000261907640 1197518499 /nfs/dbraw/zinc/51/84/99/1197518499.db2.gz HFXMZQMJHBSDLD-RBUKOAKNSA-N 2 2 380.496 0.942 20 0 GCADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1c1ccccc1 ZINC000261907640 1197518502 /nfs/dbraw/zinc/51/85/02/1197518502.db2.gz HFXMZQMJHBSDLD-RBUKOAKNSA-N 2 2 380.496 0.942 20 0 GCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cn2)CC1 ZINC000261921189 1197519410 /nfs/dbraw/zinc/51/94/10/1197519410.db2.gz BPYZYOBSHNKKGM-QGZVFWFLSA-N 3 2 375.521 0.048 20 0 GCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cn2)CC1 ZINC000261921189 1197519414 /nfs/dbraw/zinc/51/94/14/1197519414.db2.gz BPYZYOBSHNKKGM-QGZVFWFLSA-N 3 2 375.521 0.048 20 0 GCADLP CS(=O)(=O)C1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000262027355 1197522624 /nfs/dbraw/zinc/52/26/24/1197522624.db2.gz BCKCNUPPSOUGSD-KRWDZBQOSA-N 2 2 379.526 0.934 20 0 GCADLP CS(=O)(=O)C1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000262027355 1197522625 /nfs/dbraw/zinc/52/26/25/1197522625.db2.gz BCKCNUPPSOUGSD-KRWDZBQOSA-N 2 2 379.526 0.934 20 0 GCADLP C[N@@H+](CCNC(=O)C1CCN(Cc2noc(C[NH3+])n2)CC1)Cc1ccccc1 ZINC000262291043 1197528801 /nfs/dbraw/zinc/52/88/01/1197528801.db2.gz WAAXZNNNUZIKQZ-UHFFFAOYSA-N 2 2 386.500 0.989 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162421840 1197533601 /nfs/dbraw/zinc/53/36/01/1197533601.db2.gz MRMDGEXMXNMHAE-YJBOKZPZSA-N 2 2 393.513 0.989 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162421840 1197533604 /nfs/dbraw/zinc/53/36/04/1197533604.db2.gz MRMDGEXMXNMHAE-YJBOKZPZSA-N 2 2 393.513 0.989 20 0 GCADLP C[NH+](C)CCn1nccc1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000455671628 1197564211 /nfs/dbraw/zinc/56/42/11/1197564211.db2.gz SQLOZPQBQNOCOO-UHFFFAOYSA-N 2 2 387.492 0.178 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000999711763 1198968846 /nfs/dbraw/zinc/96/88/46/1198968846.db2.gz NEFNQUDTRDPJBA-VSZNYVQBSA-N 2 2 378.517 0.297 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000999711763 1198968849 /nfs/dbraw/zinc/96/88/49/1198968849.db2.gz NEFNQUDTRDPJBA-VSZNYVQBSA-N 2 2 378.517 0.297 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000672014359 1199004870 /nfs/dbraw/zinc/00/48/70/1199004870.db2.gz SMLRQGBVICTZEV-JFIYKMOQSA-N 2 2 380.533 0.402 20 0 GCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000921704340 1199051121 /nfs/dbraw/zinc/05/11/21/1199051121.db2.gz DCYBPXJLWBHDSK-QGZVFWFLSA-N 2 2 379.505 0.932 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000542849540 1199075221 /nfs/dbraw/zinc/07/52/21/1199075221.db2.gz CXHUMHSQOOBVRF-APWZRJJASA-N 2 2 376.501 0.773 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000542849540 1199075223 /nfs/dbraw/zinc/07/52/23/1199075223.db2.gz CXHUMHSQOOBVRF-APWZRJJASA-N 2 2 376.501 0.773 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542849540 1199075226 /nfs/dbraw/zinc/07/52/26/1199075226.db2.gz CXHUMHSQOOBVRF-APWZRJJASA-N 2 2 376.501 0.773 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542849540 1199075230 /nfs/dbraw/zinc/07/52/30/1199075230.db2.gz CXHUMHSQOOBVRF-APWZRJJASA-N 2 2 376.501 0.773 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000265731878 1199081257 /nfs/dbraw/zinc/08/12/57/1199081257.db2.gz SHHNFEUDBWDWBO-RTBURBONSA-N 2 2 376.501 0.907 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000265731878 1199081266 /nfs/dbraw/zinc/08/12/66/1199081266.db2.gz SHHNFEUDBWDWBO-RTBURBONSA-N 2 2 376.501 0.907 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000265731878 1199081274 /nfs/dbraw/zinc/08/12/74/1199081274.db2.gz SHHNFEUDBWDWBO-RTBURBONSA-N 2 2 376.501 0.907 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000265731878 1199081277 /nfs/dbraw/zinc/08/12/77/1199081277.db2.gz SHHNFEUDBWDWBO-RTBURBONSA-N 2 2 376.501 0.907 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000656078833 1199092002 /nfs/dbraw/zinc/09/20/02/1199092002.db2.gz CJEMXVWHNLHAFC-MRXNPFEDSA-N 2 2 382.549 0.623 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000656078833 1199092006 /nfs/dbraw/zinc/09/20/06/1199092006.db2.gz CJEMXVWHNLHAFC-MRXNPFEDSA-N 2 2 382.549 0.623 20 0 GCADLP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265752609 1199122090 /nfs/dbraw/zinc/12/20/90/1199122090.db2.gz PJRSAYSWBCZRSV-MRXNPFEDSA-N 2 2 391.520 0.485 20 0 GCADLP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000265752609 1199122093 /nfs/dbraw/zinc/12/20/93/1199122093.db2.gz PJRSAYSWBCZRSV-MRXNPFEDSA-N 2 2 391.520 0.485 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCc4c3cccc4O)C2)CC1 ZINC000672200561 1199157730 /nfs/dbraw/zinc/15/77/30/1199157730.db2.gz BSOQIZRWZFSOEI-KDOFPFPSSA-N 2 2 386.496 0.780 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCc4c3cccc4O)C2)CC1 ZINC000672200561 1199157734 /nfs/dbraw/zinc/15/77/34/1199157734.db2.gz BSOQIZRWZFSOEI-KDOFPFPSSA-N 2 2 386.496 0.780 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672203825 1199158566 /nfs/dbraw/zinc/15/85/66/1199158566.db2.gz NVRSNGMHZNYNCJ-MOPGFXCFSA-N 3 2 393.576 0.604 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672203825 1199158568 /nfs/dbraw/zinc/15/85/68/1199158568.db2.gz NVRSNGMHZNYNCJ-MOPGFXCFSA-N 3 2 393.576 0.604 20 0 GCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672203825 1199158569 /nfs/dbraw/zinc/15/85/69/1199158569.db2.gz NVRSNGMHZNYNCJ-MOPGFXCFSA-N 3 2 393.576 0.604 20 0 GCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672203825 1199158574 /nfs/dbraw/zinc/15/85/74/1199158574.db2.gz NVRSNGMHZNYNCJ-MOPGFXCFSA-N 3 2 393.576 0.604 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+]1CCN(C)CC1 ZINC000656288362 1199161172 /nfs/dbraw/zinc/16/11/72/1199161172.db2.gz AYHQHYLJZHJBDR-QYZOEREBSA-N 2 2 393.576 0.508 20 0 GCADLP CCn1nc(C)c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000672218568 1199161935 /nfs/dbraw/zinc/16/19/35/1199161935.db2.gz ISUVBMKVORFGHZ-MRXNPFEDSA-N 2 2 390.532 0.421 20 0 GCADLP CCn1nc(C)c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000672218568 1199161938 /nfs/dbraw/zinc/16/19/38/1199161938.db2.gz ISUVBMKVORFGHZ-MRXNPFEDSA-N 2 2 390.532 0.421 20 0 GCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656316413 1199169408 /nfs/dbraw/zinc/16/94/08/1199169408.db2.gz RNKCDXHTVSOWFW-NCXUSEDFSA-N 2 2 392.544 0.879 20 0 GCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656316413 1199169412 /nfs/dbraw/zinc/16/94/12/1199169412.db2.gz RNKCDXHTVSOWFW-NCXUSEDFSA-N 2 2 392.544 0.879 20 0 GCADLP Cc1ncsc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672252559 1199175295 /nfs/dbraw/zinc/17/52/95/1199175295.db2.gz OJBMAOLAMOBBMB-HNNXBMFYSA-N 2 2 379.530 0.695 20 0 GCADLP Cc1ncsc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672252559 1199175298 /nfs/dbraw/zinc/17/52/98/1199175298.db2.gz OJBMAOLAMOBBMB-HNNXBMFYSA-N 2 2 379.530 0.695 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672310085 1199200236 /nfs/dbraw/zinc/20/02/36/1199200236.db2.gz GEDMXJAATHFFHW-KURKYZTESA-N 2 2 378.517 0.347 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672310085 1199200238 /nfs/dbraw/zinc/20/02/38/1199200238.db2.gz GEDMXJAATHFFHW-KURKYZTESA-N 2 2 378.517 0.347 20 0 GCADLP C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H]1C[NH+](C)CCO1 ZINC000672470394 1199240998 /nfs/dbraw/zinc/24/09/98/1199240998.db2.gz DDFNSEWKGAKITD-UCHQMPSGSA-N 2 2 381.521 0.088 20 0 GCADLP C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H]1C[NH+](C)CCO1 ZINC000672470394 1199241005 /nfs/dbraw/zinc/24/10/05/1199241005.db2.gz DDFNSEWKGAKITD-UCHQMPSGSA-N 2 2 381.521 0.088 20 0 GCADLP C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000672470394 1199241009 /nfs/dbraw/zinc/24/10/09/1199241009.db2.gz DDFNSEWKGAKITD-UCHQMPSGSA-N 2 2 381.521 0.088 20 0 GCADLP C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000672470394 1199241013 /nfs/dbraw/zinc/24/10/13/1199241013.db2.gz DDFNSEWKGAKITD-UCHQMPSGSA-N 2 2 381.521 0.088 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)C2)CC1 ZINC000672637176 1199289136 /nfs/dbraw/zinc/28/91/36/1199289136.db2.gz AJGSAWKARFXYAT-MAUKXSAKSA-N 2 2 390.484 0.464 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)C2)CC1 ZINC000672637176 1199289137 /nfs/dbraw/zinc/28/91/37/1199289137.db2.gz AJGSAWKARFXYAT-MAUKXSAKSA-N 2 2 390.484 0.464 20 0 GCADLP COc1ccccc1CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637196 1199289396 /nfs/dbraw/zinc/28/93/96/1199289396.db2.gz BBGQUFNRZKWGOX-QGZVFWFLSA-N 2 2 388.512 0.938 20 0 GCADLP COc1ccccc1CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637196 1199289403 /nfs/dbraw/zinc/28/94/03/1199289403.db2.gz BBGQUFNRZKWGOX-QGZVFWFLSA-N 2 2 388.512 0.938 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC4(CCCC4)C3)C2)CC1 ZINC000672637655 1199289863 /nfs/dbraw/zinc/28/98/63/1199289863.db2.gz LTKWNHFOKONDPD-DLBZAZTESA-N 2 2 392.544 0.879 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC4(CCCC4)C3)C2)CC1 ZINC000672637655 1199289870 /nfs/dbraw/zinc/28/98/70/1199289870.db2.gz LTKWNHFOKONDPD-DLBZAZTESA-N 2 2 392.544 0.879 20 0 GCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637816 1199290383 /nfs/dbraw/zinc/29/03/83/1199290383.db2.gz CUKKXEIDGBRUIM-AEFFLSMTSA-N 3 2 379.549 0.214 20 0 GCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637816 1199290388 /nfs/dbraw/zinc/29/03/88/1199290388.db2.gz CUKKXEIDGBRUIM-AEFFLSMTSA-N 3 2 379.549 0.214 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639539 1199291168 /nfs/dbraw/zinc/29/11/68/1199291168.db2.gz QDZJWBRFJIVVFR-MSOLQXFVSA-N 3 2 391.560 0.215 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639539 1199291169 /nfs/dbraw/zinc/29/11/69/1199291169.db2.gz QDZJWBRFJIVVFR-MSOLQXFVSA-N 3 2 391.560 0.215 20 0 GCADLP COCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672637999 1199292420 /nfs/dbraw/zinc/29/24/20/1199292420.db2.gz CEFHARZCFMOERT-WBVHZDCISA-N 2 2 392.500 0.758 20 0 GCADLP COCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672637999 1199292423 /nfs/dbraw/zinc/29/24/23/1199292423.db2.gz CEFHARZCFMOERT-WBVHZDCISA-N 2 2 392.500 0.758 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639407 1199293161 /nfs/dbraw/zinc/29/31/61/1199293161.db2.gz BZTOXRNUJCDBCZ-SJORKVTESA-N 3 2 379.549 0.262 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639407 1199293169 /nfs/dbraw/zinc/29/31/69/1199293169.db2.gz BZTOXRNUJCDBCZ-SJORKVTESA-N 3 2 379.549 0.262 20 0 GCADLP CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639212 1199293234 /nfs/dbraw/zinc/29/32/34/1199293234.db2.gz KIBCAPUTHVFWCR-SOLBZPMBSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639212 1199293238 /nfs/dbraw/zinc/29/32/38/1199293238.db2.gz KIBCAPUTHVFWCR-SOLBZPMBSA-N 2 2 380.533 0.281 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCC34CCOCC4)C2)CC1 ZINC000672640562 1199293461 /nfs/dbraw/zinc/29/34/61/1199293461.db2.gz JZHJIBJQYOANKF-SJLPKXTDSA-N 2 2 392.544 0.737 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCC34CCOCC4)C2)CC1 ZINC000672640562 1199293464 /nfs/dbraw/zinc/29/34/64/1199293464.db2.gz JZHJIBJQYOANKF-SJLPKXTDSA-N 2 2 392.544 0.737 20 0 GCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639076 1199293600 /nfs/dbraw/zinc/29/36/00/1199293600.db2.gz YOMNUBZJBRPQFQ-DLBZAZTESA-N 3 2 379.549 0.119 20 0 GCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639076 1199293604 /nfs/dbraw/zinc/29/36/04/1199293604.db2.gz YOMNUBZJBRPQFQ-DLBZAZTESA-N 3 2 379.549 0.119 20 0 GCADLP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639076 1199293609 /nfs/dbraw/zinc/29/36/09/1199293609.db2.gz YOMNUBZJBRPQFQ-DLBZAZTESA-N 3 2 379.549 0.119 20 0 GCADLP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639076 1199293615 /nfs/dbraw/zinc/29/36/15/1199293615.db2.gz YOMNUBZJBRPQFQ-DLBZAZTESA-N 3 2 379.549 0.119 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(Cc3cccnc3)C3CC3)C2)CC1 ZINC000672639120 1199293883 /nfs/dbraw/zinc/29/38/83/1199293883.db2.gz ZIOLCSBLMQYXQT-KRWDZBQOSA-N 2 2 385.512 0.857 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(Cc3cccnc3)C3CC3)C2)CC1 ZINC000672639120 1199293889 /nfs/dbraw/zinc/29/38/89/1199293889.db2.gz ZIOLCSBLMQYXQT-KRWDZBQOSA-N 2 2 385.512 0.857 20 0 GCADLP CCc1noc(CC)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639097 1199294031 /nfs/dbraw/zinc/29/40/31/1199294031.db2.gz YVKPFGUVYQEHOU-CQSZACIVSA-N 2 2 391.516 0.700 20 0 GCADLP CCc1noc(CC)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639097 1199294034 /nfs/dbraw/zinc/29/40/34/1199294034.db2.gz YVKPFGUVYQEHOU-CQSZACIVSA-N 2 2 391.516 0.700 20 0 GCADLP CSc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672639173 1199294169 /nfs/dbraw/zinc/29/41/69/1199294169.db2.gz IPLBKKSDYNKCHR-HNNXBMFYSA-N 2 2 391.541 0.704 20 0 GCADLP CSc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672639173 1199294173 /nfs/dbraw/zinc/29/41/73/1199294173.db2.gz IPLBKKSDYNKCHR-HNNXBMFYSA-N 2 2 391.541 0.704 20 0 GCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672639981 1199295505 /nfs/dbraw/zinc/29/55/05/1199295505.db2.gz QNGOXGDOOBQMNR-IKGGRYGDSA-N 2 2 379.549 0.212 20 0 GCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672639981 1199295507 /nfs/dbraw/zinc/29/55/07/1199295507.db2.gz QNGOXGDOOBQMNR-IKGGRYGDSA-N 2 2 379.549 0.212 20 0 GCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640205 1199296318 /nfs/dbraw/zinc/29/63/18/1199296318.db2.gz XHBDRGUPXDJMGT-MSOLQXFVSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640205 1199296320 /nfs/dbraw/zinc/29/63/20/1199296320.db2.gz XHBDRGUPXDJMGT-MSOLQXFVSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640205 1199296323 /nfs/dbraw/zinc/29/63/23/1199296323.db2.gz XHBDRGUPXDJMGT-MSOLQXFVSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640205 1199296326 /nfs/dbraw/zinc/29/63/26/1199296326.db2.gz XHBDRGUPXDJMGT-MSOLQXFVSA-N 3 2 393.576 0.461 20 0 GCADLP COc1cc(C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640139 1199296560 /nfs/dbraw/zinc/29/65/60/1199296560.db2.gz RPAMDCCXTHGWID-QGZVFWFLSA-N 2 2 388.512 0.905 20 0 GCADLP COc1cc(C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640139 1199296563 /nfs/dbraw/zinc/29/65/63/1199296563.db2.gz RPAMDCCXTHGWID-QGZVFWFLSA-N 2 2 388.512 0.905 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000672640970 1199297912 /nfs/dbraw/zinc/29/79/12/1199297912.db2.gz HTDDJIFMDCEYNY-QGZVFWFLSA-N 3 2 393.576 0.604 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000672640970 1199297915 /nfs/dbraw/zinc/29/79/15/1199297915.db2.gz HTDDJIFMDCEYNY-QGZVFWFLSA-N 3 2 393.576 0.604 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640970 1199297921 /nfs/dbraw/zinc/29/79/21/1199297921.db2.gz HTDDJIFMDCEYNY-QGZVFWFLSA-N 3 2 393.576 0.604 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640970 1199297924 /nfs/dbraw/zinc/29/79/24/1199297924.db2.gz HTDDJIFMDCEYNY-QGZVFWFLSA-N 3 2 393.576 0.604 20 0 GCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641184 1199298222 /nfs/dbraw/zinc/29/82/22/1199298222.db2.gz MVUBACAVVBULLU-KRWDZBQOSA-N 3 2 379.549 0.260 20 0 GCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641184 1199298226 /nfs/dbraw/zinc/29/82/26/1199298226.db2.gz MVUBACAVVBULLU-KRWDZBQOSA-N 3 2 379.549 0.260 20 0 GCADLP Cn1cccc1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641527 1199298259 /nfs/dbraw/zinc/29/82/59/1199298259.db2.gz RDTHCRSTWCAXKL-LPHOPBHVSA-N 2 2 387.528 0.973 20 0 GCADLP Cn1cccc1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641527 1199298264 /nfs/dbraw/zinc/29/82/64/1199298264.db2.gz RDTHCRSTWCAXKL-LPHOPBHVSA-N 2 2 387.528 0.973 20 0 GCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640632 1199298595 /nfs/dbraw/zinc/29/85/95/1199298595.db2.gz DYUADZDRMYOXQB-FUHWJXTLSA-N 3 2 393.576 0.460 20 0 GCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640632 1199298600 /nfs/dbraw/zinc/29/86/00/1199298600.db2.gz DYUADZDRMYOXQB-FUHWJXTLSA-N 3 2 393.576 0.460 20 0 GCADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672640939 1199299079 /nfs/dbraw/zinc/29/90/79/1199299079.db2.gz MJNNHDCJNBYYAM-WMZOPIPTSA-N 2 2 380.533 0.593 20 0 GCADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672640939 1199299081 /nfs/dbraw/zinc/29/90/81/1199299081.db2.gz MJNNHDCJNBYYAM-WMZOPIPTSA-N 2 2 380.533 0.593 20 0 GCADLP COC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC(C)CC1 ZINC000672641002 1199299109 /nfs/dbraw/zinc/29/91/09/1199299109.db2.gz JBRTZTRSUIPOFB-BQIYRTECSA-N 2 2 394.560 0.983 20 0 GCADLP COC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC(C)CC1 ZINC000672641002 1199299112 /nfs/dbraw/zinc/29/91/12/1199299112.db2.gz JBRTZTRSUIPOFB-BQIYRTECSA-N 2 2 394.560 0.983 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC[C@H]3CCCCO3)C2)CC1 ZINC000672642130 1199299819 /nfs/dbraw/zinc/29/98/19/1199299819.db2.gz YMRXDRZGABGPEX-SJLPKXTDSA-N 2 2 380.533 0.737 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC[C@H]3CCCCO3)C2)CC1 ZINC000672642130 1199299825 /nfs/dbraw/zinc/29/98/25/1199299825.db2.gz YMRXDRZGABGPEX-SJLPKXTDSA-N 2 2 380.533 0.737 20 0 GCADLP CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672642558 1199300672 /nfs/dbraw/zinc/30/06/72/1199300672.db2.gz NPSCLMLQLDJIAG-CGTJXYLNSA-N 2 2 394.560 0.979 20 0 GCADLP CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672642558 1199300675 /nfs/dbraw/zinc/30/06/75/1199300675.db2.gz NPSCLMLQLDJIAG-CGTJXYLNSA-N 2 2 394.560 0.979 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC[C@@H]3CCCCO3)C2)CC1 ZINC000672642128 1199301171 /nfs/dbraw/zinc/30/11/71/1199301171.db2.gz YMRXDRZGABGPEX-AEFFLSMTSA-N 2 2 380.533 0.737 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC[C@@H]3CCCCO3)C2)CC1 ZINC000672642128 1199301194 /nfs/dbraw/zinc/30/11/94/1199301194.db2.gz YMRXDRZGABGPEX-AEFFLSMTSA-N 2 2 380.533 0.737 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)CC1 ZINC000672642187 1199301432 /nfs/dbraw/zinc/30/14/32/1199301432.db2.gz YTURGDZKPAYZKG-HPBDAGMYSA-N 2 2 390.528 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)CC1 ZINC000672642187 1199301438 /nfs/dbraw/zinc/30/14/38/1199301438.db2.gz YTURGDZKPAYZKG-HPBDAGMYSA-N 2 2 390.528 0.345 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([C@@H]4CCOC4)C3)C2)CC1 ZINC000672642087 1199301726 /nfs/dbraw/zinc/30/17/26/1199301726.db2.gz XMTYJSQADQIBOY-BBWFWOEESA-N 2 2 378.517 0.156 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([C@@H]4CCOC4)C3)C2)CC1 ZINC000672642087 1199301730 /nfs/dbraw/zinc/30/17/30/1199301730.db2.gz XMTYJSQADQIBOY-BBWFWOEESA-N 2 2 378.517 0.156 20 0 GCADLP CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641709 1199302518 /nfs/dbraw/zinc/30/25/18/1199302518.db2.gz SMEHARHQFDXEPI-UTKZUKDTSA-N 2 2 394.560 0.671 20 0 GCADLP CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641709 1199302521 /nfs/dbraw/zinc/30/25/21/1199302521.db2.gz SMEHARHQFDXEPI-UTKZUKDTSA-N 2 2 394.560 0.671 20 0 GCADLP Cc1nc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000672643391 1199302921 /nfs/dbraw/zinc/30/29/21/1199302921.db2.gz WXTSYUOPMDOYIF-HNNXBMFYSA-N 2 2 393.557 0.703 20 0 GCADLP Cc1nc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000672643391 1199302925 /nfs/dbraw/zinc/30/29/25/1199302925.db2.gz WXTSYUOPMDOYIF-HNNXBMFYSA-N 2 2 393.557 0.703 20 0 GCADLP Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672642889 1199304874 /nfs/dbraw/zinc/30/48/74/1199304874.db2.gz IXAMVMRUWHNQEY-WBVHZDCISA-N 2 2 389.500 0.931 20 0 GCADLP Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672642889 1199304877 /nfs/dbraw/zinc/30/48/77/1199304877.db2.gz IXAMVMRUWHNQEY-WBVHZDCISA-N 2 2 389.500 0.931 20 0 GCADLP Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642706 1199304892 /nfs/dbraw/zinc/30/48/92/1199304892.db2.gz FGDJJRPCUKOXAK-CZUORRHYSA-N 2 2 391.516 0.623 20 0 GCADLP Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642706 1199304895 /nfs/dbraw/zinc/30/48/95/1199304895.db2.gz FGDJJRPCUKOXAK-CZUORRHYSA-N 2 2 391.516 0.623 20 0 GCADLP Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672642887 1199305480 /nfs/dbraw/zinc/30/54/80/1199305480.db2.gz IXAMVMRUWHNQEY-RDJZCZTQSA-N 2 2 389.500 0.931 20 0 GCADLP Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672642887 1199305483 /nfs/dbraw/zinc/30/54/83/1199305483.db2.gz IXAMVMRUWHNQEY-RDJZCZTQSA-N 2 2 389.500 0.931 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@H](C4CC4)C3)C2)CC1 ZINC000672643054 1199306041 /nfs/dbraw/zinc/30/60/41/1199306041.db2.gz NNXJXUCRXLBIOY-BQFCYCMXSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@H](C4CC4)C3)C2)CC1 ZINC000672643054 1199306045 /nfs/dbraw/zinc/30/60/45/1199306045.db2.gz NNXJXUCRXLBIOY-BQFCYCMXSA-N 2 2 378.517 0.345 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643002 1199306143 /nfs/dbraw/zinc/30/61/43/1199306143.db2.gz MLHWMPUOEILGLU-BZUAXINKSA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643002 1199306149 /nfs/dbraw/zinc/30/61/49/1199306149.db2.gz MLHWMPUOEILGLU-BZUAXINKSA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000672643002 1199306151 /nfs/dbraw/zinc/30/61/51/1199306151.db2.gz MLHWMPUOEILGLU-BZUAXINKSA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000672643002 1199306155 /nfs/dbraw/zinc/30/61/55/1199306155.db2.gz MLHWMPUOEILGLU-BZUAXINKSA-N 3 2 377.533 0.013 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001002835634 1199307912 /nfs/dbraw/zinc/30/79/12/1199307912.db2.gz QQYIEXGCKKZMMM-IDCNUPLLSA-N 2 2 382.468 0.899 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001002839992 1199311362 /nfs/dbraw/zinc/31/13/62/1199311362.db2.gz MLQDBAQDXVORFN-FYNNLBNCSA-N 2 2 375.473 0.159 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001002839992 1199311369 /nfs/dbraw/zinc/31/13/69/1199311369.db2.gz MLQDBAQDXVORFN-FYNNLBNCSA-N 2 2 375.473 0.159 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672692647 1199317783 /nfs/dbraw/zinc/31/77/83/1199317783.db2.gz HIHOPNDJQWGLLR-MJGOQNOKSA-N 3 2 393.576 0.604 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672692647 1199317787 /nfs/dbraw/zinc/31/77/87/1199317787.db2.gz HIHOPNDJQWGLLR-MJGOQNOKSA-N 3 2 393.576 0.604 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672850754 1199350929 /nfs/dbraw/zinc/35/09/29/1199350929.db2.gz RSLFIAKYDYGVBS-DLBZAZTESA-N 2 2 392.500 0.710 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672850754 1199350939 /nfs/dbraw/zinc/35/09/39/1199350939.db2.gz RSLFIAKYDYGVBS-DLBZAZTESA-N 2 2 392.500 0.710 20 0 GCADLP C[C@@H]1CC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672937155 1199372841 /nfs/dbraw/zinc/37/28/41/1199372841.db2.gz ZCFCHFNLSRIOPB-RKVPGOIHSA-N 2 2 380.533 0.686 20 0 GCADLP C[C@@H]1CC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672937155 1199372846 /nfs/dbraw/zinc/37/28/46/1199372846.db2.gz ZCFCHFNLSRIOPB-RKVPGOIHSA-N 2 2 380.533 0.686 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672937151 1199373292 /nfs/dbraw/zinc/37/32/92/1199373292.db2.gz ZCFCHFNLSRIOPB-DFGXFYAUSA-N 2 2 380.533 0.686 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672937151 1199373299 /nfs/dbraw/zinc/37/32/99/1199373299.db2.gz ZCFCHFNLSRIOPB-DFGXFYAUSA-N 2 2 380.533 0.686 20 0 GCADLP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC2)CCO1 ZINC000499640624 1199388377 /nfs/dbraw/zinc/38/83/77/1199388377.db2.gz LNBWXMYRSMMTCF-HNNXBMFYSA-N 2 2 385.468 0.662 20 0 GCADLP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC2)CCO1 ZINC000499640624 1199388382 /nfs/dbraw/zinc/38/83/82/1199388382.db2.gz LNBWXMYRSMMTCF-HNNXBMFYSA-N 2 2 385.468 0.662 20 0 GCADLP CN(C(=O)C(=O)NCC[C@@H]1CCCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673113520 1199429678 /nfs/dbraw/zinc/42/96/78/1199429678.db2.gz XMHHLRYISDIDIH-ROUUACIJSA-N 2 2 380.533 0.689 20 0 GCADLP CN(C(=O)C(=O)NCC[C@@H]1CCCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673113520 1199429681 /nfs/dbraw/zinc/42/96/81/1199429681.db2.gz XMHHLRYISDIDIH-ROUUACIJSA-N 2 2 380.533 0.689 20 0 GCADLP CC(C)OCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673150995 1199453504 /nfs/dbraw/zinc/45/35/04/1199453504.db2.gz AGEGIFIGGHMXGP-SFHVURJKSA-N 2 2 382.549 0.935 20 0 GCADLP CC(C)OCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673150995 1199453509 /nfs/dbraw/zinc/45/35/09/1199453509.db2.gz AGEGIFIGGHMXGP-SFHVURJKSA-N 2 2 382.549 0.935 20 0 GCADLP C[C@H](CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000066986391 1199474058 /nfs/dbraw/zinc/47/40/58/1199474058.db2.gz ZSDJYFHDMBXYDW-MRXNPFEDSA-N 2 2 376.505 0.353 20 0 GCADLP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673213698 1199482748 /nfs/dbraw/zinc/48/27/48/1199482748.db2.gz LPQQXBIFTDXCKX-SOLBZPMBSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673213698 1199482751 /nfs/dbraw/zinc/48/27/51/1199482751.db2.gz LPQQXBIFTDXCKX-SOLBZPMBSA-N 2 2 380.533 0.545 20 0 GCADLP COC(C)(C)C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673221518 1199486964 /nfs/dbraw/zinc/48/69/64/1199486964.db2.gz PMGOFPVLERVOTO-NVXWUHKLSA-N 2 2 382.549 0.933 20 0 GCADLP COC(C)(C)C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673221518 1199486965 /nfs/dbraw/zinc/48/69/65/1199486965.db2.gz PMGOFPVLERVOTO-NVXWUHKLSA-N 2 2 382.549 0.933 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224136 1199488152 /nfs/dbraw/zinc/48/81/52/1199488152.db2.gz KKTCWSOXNSGCMP-SJLPKXTDSA-N 3 2 395.592 0.706 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224136 1199488154 /nfs/dbraw/zinc/48/81/54/1199488154.db2.gz KKTCWSOXNSGCMP-SJLPKXTDSA-N 3 2 395.592 0.706 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000673287903 1199517615 /nfs/dbraw/zinc/51/76/15/1199517615.db2.gz GQIIDKHUSBBEKF-CRAIPNDOSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1CC(C)(C)O ZINC000673287903 1199517620 /nfs/dbraw/zinc/51/76/20/1199517620.db2.gz GQIIDKHUSBBEKF-CRAIPNDOSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1CC(C)(C)O ZINC000673287903 1199517621 /nfs/dbraw/zinc/51/76/21/1199517621.db2.gz GQIIDKHUSBBEKF-CRAIPNDOSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1CC(C)(C)O ZINC000673287903 1199517625 /nfs/dbraw/zinc/51/76/25/1199517625.db2.gz GQIIDKHUSBBEKF-CRAIPNDOSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CCCO1 ZINC000673287263 1199518782 /nfs/dbraw/zinc/51/87/82/1199518782.db2.gz XINBZZDEKRLMTD-QFBILLFUSA-N 2 2 388.512 0.906 20 0 GCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CCCO1 ZINC000673287263 1199518789 /nfs/dbraw/zinc/51/87/89/1199518789.db2.gz XINBZZDEKRLMTD-QFBILLFUSA-N 2 2 388.512 0.906 20 0 GCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCCO1 ZINC000673287263 1199518792 /nfs/dbraw/zinc/51/87/92/1199518792.db2.gz XINBZZDEKRLMTD-QFBILLFUSA-N 2 2 388.512 0.906 20 0 GCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCCO1 ZINC000673287263 1199518799 /nfs/dbraw/zinc/51/87/99/1199518799.db2.gz XINBZZDEKRLMTD-QFBILLFUSA-N 2 2 388.512 0.906 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000673285800 1199520692 /nfs/dbraw/zinc/52/06/92/1199520692.db2.gz PNVKUQOLQMXRSQ-LJQANCHMSA-N 2 2 386.496 0.613 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000673285800 1199520695 /nfs/dbraw/zinc/52/06/95/1199520695.db2.gz PNVKUQOLQMXRSQ-LJQANCHMSA-N 2 2 386.496 0.613 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@@H](C)O1 ZINC000673285860 1199521009 /nfs/dbraw/zinc/52/10/09/1199521009.db2.gz QMWPTAUFXBEBPG-GPMSIDNRSA-N 2 2 388.512 0.905 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H](C)O1 ZINC000673285860 1199521014 /nfs/dbraw/zinc/52/10/14/1199521014.db2.gz QMWPTAUFXBEBPG-GPMSIDNRSA-N 2 2 388.512 0.905 20 0 GCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673337176 1199548538 /nfs/dbraw/zinc/54/85/38/1199548538.db2.gz QVFYSDYGAXQPQN-GOSISDBHSA-N 3 2 381.565 0.461 20 0 GCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673337176 1199548541 /nfs/dbraw/zinc/54/85/41/1199548541.db2.gz QVFYSDYGAXQPQN-GOSISDBHSA-N 3 2 381.565 0.461 20 0 GCADLP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673337176 1199548545 /nfs/dbraw/zinc/54/85/45/1199548545.db2.gz QVFYSDYGAXQPQN-GOSISDBHSA-N 3 2 381.565 0.461 20 0 GCADLP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673337176 1199548548 /nfs/dbraw/zinc/54/85/48/1199548548.db2.gz QVFYSDYGAXQPQN-GOSISDBHSA-N 3 2 381.565 0.461 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001003647038 1199612727 /nfs/dbraw/zinc/61/27/27/1199612727.db2.gz YHVJUZUMWQRHLQ-IDCNUPLLSA-N 2 2 382.468 0.899 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001003708201 1199634960 /nfs/dbraw/zinc/63/49/60/1199634960.db2.gz LLEVUXBLOWNMQR-FYNNLBNCSA-N 2 2 375.473 0.159 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001003708201 1199634965 /nfs/dbraw/zinc/63/49/65/1199634965.db2.gz LLEVUXBLOWNMQR-FYNNLBNCSA-N 2 2 375.473 0.159 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001003707530 1199642130 /nfs/dbraw/zinc/64/21/30/1199642130.db2.gz GCSGNBHABXDDTA-OVYGPGRDSA-N 2 2 375.473 0.159 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001003707530 1199642133 /nfs/dbraw/zinc/64/21/33/1199642133.db2.gz GCSGNBHABXDDTA-OVYGPGRDSA-N 2 2 375.473 0.159 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673436223 1199644427 /nfs/dbraw/zinc/64/44/27/1199644427.db2.gz IEAAGSZXLYADQZ-RBUKOAKNSA-N 2 2 394.560 0.935 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673436223 1199644434 /nfs/dbraw/zinc/64/44/34/1199644434.db2.gz IEAAGSZXLYADQZ-RBUKOAKNSA-N 2 2 394.560 0.935 20 0 GCADLP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673469359 1199685999 /nfs/dbraw/zinc/68/59/99/1199685999.db2.gz GUFOWMNYVHZVJX-UHOSZYNNSA-N 2 2 394.560 0.933 20 0 GCADLP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673469359 1199686001 /nfs/dbraw/zinc/68/60/01/1199686001.db2.gz GUFOWMNYVHZVJX-UHOSZYNNSA-N 2 2 394.560 0.933 20 0 GCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000069506214 1199699649 /nfs/dbraw/zinc/69/96/49/1199699649.db2.gz ADOPQAAYZGHEGB-KRWDZBQOSA-N 2 2 381.521 0.045 20 0 GCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000922447541 1199790536 /nfs/dbraw/zinc/79/05/36/1199790536.db2.gz IOXCBDPOJRNAIX-CSNJMZFVSA-N 2 2 395.548 0.480 20 0 GCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000922447541 1199790540 /nfs/dbraw/zinc/79/05/40/1199790540.db2.gz IOXCBDPOJRNAIX-CSNJMZFVSA-N 2 2 395.548 0.480 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000673582941 1199829472 /nfs/dbraw/zinc/82/94/72/1199829472.db2.gz XZMVMVYNSKBOLP-IAGOWNOFSA-N 2 2 389.500 0.610 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000673582943 1199829554 /nfs/dbraw/zinc/82/95/54/1199829554.db2.gz XZMVMVYNSKBOLP-SJORKVTESA-N 2 2 389.500 0.610 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](CC)C[C@@H]3C)O2)[C@H](C)C1 ZINC000329383989 1199840676 /nfs/dbraw/zinc/84/06/76/1199840676.db2.gz OUGKLBFZNAGWAQ-USTZCAOPSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](CC)C[C@@H]3C)O2)[C@H](C)C1 ZINC000329383989 1199840681 /nfs/dbraw/zinc/84/06/81/1199840681.db2.gz OUGKLBFZNAGWAQ-USTZCAOPSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](CC)C[C@H]3C)O2)[C@@H](C)C1 ZINC000329383989 1199840683 /nfs/dbraw/zinc/84/06/83/1199840683.db2.gz OUGKLBFZNAGWAQ-USTZCAOPSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](CC)C[C@H]3C)O2)[C@@H](C)C1 ZINC000329383989 1199840688 /nfs/dbraw/zinc/84/06/88/1199840688.db2.gz OUGKLBFZNAGWAQ-USTZCAOPSA-N 2 2 380.533 0.639 20 0 GCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000673608170 1199850090 /nfs/dbraw/zinc/85/00/90/1199850090.db2.gz PVNJOFVGQNEKEA-HNNXBMFYSA-N 2 2 388.516 0.731 20 0 GCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[N@H+](C)CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000673608170 1199850091 /nfs/dbraw/zinc/85/00/91/1199850091.db2.gz PVNJOFVGQNEKEA-HNNXBMFYSA-N 2 2 388.516 0.731 20 0 GCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000922872868 1199887792 /nfs/dbraw/zinc/88/77/92/1199887792.db2.gz OKTFMACFAVZGQO-GOSISDBHSA-N 2 2 397.564 0.193 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668756 1199925904 /nfs/dbraw/zinc/92/59/04/1199925904.db2.gz IWJOLZLDXFKVQK-KNQAVFIVSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668756 1199925905 /nfs/dbraw/zinc/92/59/05/1199925905.db2.gz IWJOLZLDXFKVQK-KNQAVFIVSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668756 1199925906 /nfs/dbraw/zinc/92/59/06/1199925906.db2.gz IWJOLZLDXFKVQK-KNQAVFIVSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668756 1199925908 /nfs/dbraw/zinc/92/59/08/1199925908.db2.gz IWJOLZLDXFKVQK-KNQAVFIVSA-N 3 2 386.540 0.908 20 0 GCADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000673668884 1199926037 /nfs/dbraw/zinc/92/60/37/1199926037.db2.gz BTRSHXFDHAFUQM-QGZVFWFLSA-N 2 2 394.541 0.883 20 0 GCADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000673668884 1199926038 /nfs/dbraw/zinc/92/60/38/1199926038.db2.gz BTRSHXFDHAFUQM-QGZVFWFLSA-N 2 2 394.541 0.883 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673872075 1199963590 /nfs/dbraw/zinc/96/35/90/1199963590.db2.gz IHKJDSXNXSMZTF-ROUUACIJSA-N 2 2 392.504 0.278 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000670468640 1200193814 /nfs/dbraw/zinc/19/38/14/1200193814.db2.gz CSDRHSRUPGSJOR-HNNXBMFYSA-N 2 2 388.468 0.316 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000670468640 1200193817 /nfs/dbraw/zinc/19/38/17/1200193817.db2.gz CSDRHSRUPGSJOR-HNNXBMFYSA-N 2 2 388.468 0.316 20 0 GCADLP COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000675102233 1200352087 /nfs/dbraw/zinc/35/20/87/1200352087.db2.gz SHRPFJQWEDSIJZ-LSDHHAIUSA-N 2 2 391.520 0.207 20 0 GCADLP COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000675102233 1200352091 /nfs/dbraw/zinc/35/20/91/1200352091.db2.gz SHRPFJQWEDSIJZ-LSDHHAIUSA-N 2 2 391.520 0.207 20 0 GCADLP COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000675102232 1200352573 /nfs/dbraw/zinc/35/25/73/1200352573.db2.gz SHRPFJQWEDSIJZ-HUUCEWRRSA-N 2 2 391.520 0.207 20 0 GCADLP COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000675102232 1200352578 /nfs/dbraw/zinc/35/25/78/1200352578.db2.gz SHRPFJQWEDSIJZ-HUUCEWRRSA-N 2 2 391.520 0.207 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4nc(N)ns4)CC3)C2)CC1 ZINC000676154967 1200503822 /nfs/dbraw/zinc/50/38/22/1200503822.db2.gz VNQHBZDYMLLMNB-ZDUSSCGKSA-N 2 2 394.549 0.120 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4nc(N)ns4)CC3)C2)CC1 ZINC000676154967 1200503828 /nfs/dbraw/zinc/50/38/28/1200503828.db2.gz VNQHBZDYMLLMNB-ZDUSSCGKSA-N 2 2 394.549 0.120 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[C@H]1C[NH+](C)CCO1 ZINC000676241423 1200513854 /nfs/dbraw/zinc/51/38/54/1200513854.db2.gz PLCOHJAIYLNSKV-BMGDILEWSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)[C@H]1C[NH+](C)CCO1 ZINC000676241423 1200513857 /nfs/dbraw/zinc/51/38/57/1200513857.db2.gz PLCOHJAIYLNSKV-BMGDILEWSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676241423 1200513861 /nfs/dbraw/zinc/51/38/61/1200513861.db2.gz PLCOHJAIYLNSKV-BMGDILEWSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241423 1200513864 /nfs/dbraw/zinc/51/38/64/1200513864.db2.gz PLCOHJAIYLNSKV-BMGDILEWSA-N 2 2 389.500 0.977 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000676272971 1200524933 /nfs/dbraw/zinc/52/49/33/1200524933.db2.gz RAUKATMIINFZAK-CQSZACIVSA-N 2 2 375.473 0.623 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000676272971 1200524938 /nfs/dbraw/zinc/52/49/38/1200524938.db2.gz RAUKATMIINFZAK-CQSZACIVSA-N 2 2 375.473 0.623 20 0 GCADLP C[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000131945252 1200557258 /nfs/dbraw/zinc/55/72/58/1200557258.db2.gz NGKQTDGIFAGEID-QGZVFWFLSA-N 2 2 394.560 0.746 20 0 GCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000676479902 1200562813 /nfs/dbraw/zinc/56/28/13/1200562813.db2.gz YUIDXNCVGTVLFQ-QGZVFWFLSA-N 2 2 390.532 0.579 20 0 GCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000676479902 1200562820 /nfs/dbraw/zinc/56/28/20/1200562820.db2.gz YUIDXNCVGTVLFQ-QGZVFWFLSA-N 2 2 390.532 0.579 20 0 GCADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000554473221 1200702275 /nfs/dbraw/zinc/70/22/75/1200702275.db2.gz QOWYZDSTGWAGCH-IRXDYDNUSA-N 2 2 376.505 1.306 20 0 GCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000477024201 1200776531 /nfs/dbraw/zinc/77/65/31/1200776531.db2.gz AKGMSWLDYRCHJG-INIZCTEOSA-N 3 2 381.565 0.508 20 0 GCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000477108581 1200829743 /nfs/dbraw/zinc/82/97/43/1200829743.db2.gz QYHAWBMTYUZFME-HKUYNNGSSA-N 2 2 390.528 0.850 20 0 GCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000477108581 1200829746 /nfs/dbraw/zinc/82/97/46/1200829746.db2.gz QYHAWBMTYUZFME-HKUYNNGSSA-N 2 2 390.528 0.850 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000330017647 1200903831 /nfs/dbraw/zinc/90/38/31/1200903831.db2.gz RLWJLYHEUFMBRX-IRXDYDNUSA-N 2 2 378.521 1.409 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000330017647 1200903833 /nfs/dbraw/zinc/90/38/33/1200903833.db2.gz RLWJLYHEUFMBRX-IRXDYDNUSA-N 2 2 378.521 1.409 20 0 GCADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329286263 1201018717 /nfs/dbraw/zinc/01/87/17/1201018717.db2.gz MAHLCCWIYIUIRB-IRXDYDNUSA-N 2 2 376.505 1.306 20 0 GCADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329286263 1201018724 /nfs/dbraw/zinc/01/87/24/1201018724.db2.gz MAHLCCWIYIUIRB-IRXDYDNUSA-N 2 2 376.505 1.306 20 0 GCADLP CN(C(=O)C(=O)NCC[C@H]1CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000867441619 1201185128 /nfs/dbraw/zinc/18/51/28/1201185128.db2.gz TVYUBLQTQDFTTM-RDJZCZTQSA-N 2 2 382.574 0.873 20 0 GCADLP CN(C(=O)C(=O)NCC[C@H]1CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000867441619 1201185132 /nfs/dbraw/zinc/18/51/32/1201185132.db2.gz TVYUBLQTQDFTTM-RDJZCZTQSA-N 2 2 382.574 0.873 20 0 GCADLP CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135900 1201246967 /nfs/dbraw/zinc/24/69/67/1201246967.db2.gz UHGOHPLDRQJXMK-NXWXRZEISA-N 2 2 388.512 0.147 20 0 GCADLP CNC(=O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135900 1201246968 /nfs/dbraw/zinc/24/69/68/1201246968.db2.gz UHGOHPLDRQJXMK-NXWXRZEISA-N 2 2 388.512 0.147 20 0 GCADLP CNC(=O)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079135900 1201246970 /nfs/dbraw/zinc/24/69/70/1201246970.db2.gz UHGOHPLDRQJXMK-NXWXRZEISA-N 2 2 388.512 0.147 20 0 GCADLP CNC(=O)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079135900 1201246971 /nfs/dbraw/zinc/24/69/71/1201246971.db2.gz UHGOHPLDRQJXMK-NXWXRZEISA-N 2 2 388.512 0.147 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)Nc3cc(C)nn3C)C[C@H]2C)CC[N@@H+]1C ZINC001079732206 1201255164 /nfs/dbraw/zinc/25/51/64/1201255164.db2.gz DJWUEVSUOWOHTO-XLNGHYISSA-N 2 2 390.532 0.834 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)Nc3cc(C)nn3C)C[C@H]2C)CC[N@H+]1C ZINC001079732206 1201255167 /nfs/dbraw/zinc/25/51/67/1201255167.db2.gz DJWUEVSUOWOHTO-XLNGHYISSA-N 2 2 390.532 0.834 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3cc(C)nn3C)C[C@H]2C)CC[NH+]1C ZINC001079732206 1201255171 /nfs/dbraw/zinc/25/51/71/1201255171.db2.gz DJWUEVSUOWOHTO-XLNGHYISSA-N 2 2 390.532 0.834 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3cc(C)nn3C)C[C@H]2C)CC[NH+]1C ZINC001079732206 1201255174 /nfs/dbraw/zinc/25/51/74/1201255174.db2.gz DJWUEVSUOWOHTO-XLNGHYISSA-N 2 2 390.532 0.834 20 0 GCADLP C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951514 1201261206 /nfs/dbraw/zinc/26/12/06/1201261206.db2.gz QXKVPBXDYLVGCC-KLHDSHLOSA-N 2 2 393.536 0.126 20 0 GCADLP C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951514 1201261208 /nfs/dbraw/zinc/26/12/08/1201261208.db2.gz QXKVPBXDYLVGCC-KLHDSHLOSA-N 2 2 393.536 0.126 20 0 GCADLP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951514 1201261216 /nfs/dbraw/zinc/26/12/16/1201261216.db2.gz QXKVPBXDYLVGCC-KLHDSHLOSA-N 2 2 393.536 0.126 20 0 GCADLP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951514 1201261218 /nfs/dbraw/zinc/26/12/18/1201261218.db2.gz QXKVPBXDYLVGCC-KLHDSHLOSA-N 2 2 393.536 0.126 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694198 1201297429 /nfs/dbraw/zinc/29/74/29/1201297429.db2.gz PPDIVUIFLCRAHE-BASLNEPJSA-N 2 2 389.500 0.715 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694198 1201297438 /nfs/dbraw/zinc/29/74/38/1201297438.db2.gz PPDIVUIFLCRAHE-BASLNEPJSA-N 2 2 389.500 0.715 20 0 GCADLP CO[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694198 1201297447 /nfs/dbraw/zinc/29/74/47/1201297447.db2.gz PPDIVUIFLCRAHE-BASLNEPJSA-N 2 2 389.500 0.715 20 0 GCADLP CO[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694198 1201297455 /nfs/dbraw/zinc/29/74/55/1201297455.db2.gz PPDIVUIFLCRAHE-BASLNEPJSA-N 2 2 389.500 0.715 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699281 1201302318 /nfs/dbraw/zinc/30/23/18/1201302318.db2.gz NLBHVEQIIYMDNP-BSDSXHPESA-N 2 2 380.533 0.545 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]2OC)CC[N@H+]1C ZINC001081699281 1201302327 /nfs/dbraw/zinc/30/23/27/1201302327.db2.gz NLBHVEQIIYMDNP-BSDSXHPESA-N 2 2 380.533 0.545 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]2OC)CC[NH+]1C ZINC001081699281 1201302336 /nfs/dbraw/zinc/30/23/36/1201302336.db2.gz NLBHVEQIIYMDNP-BSDSXHPESA-N 2 2 380.533 0.545 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2OC)CC[NH+]1C ZINC001081699281 1201302343 /nfs/dbraw/zinc/30/23/43/1201302343.db2.gz NLBHVEQIIYMDNP-BSDSXHPESA-N 2 2 380.533 0.545 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847151 1201306791 /nfs/dbraw/zinc/30/67/91/1201306791.db2.gz VUMPHDCJFXUVCE-HUYLIWGRSA-N 2 2 390.528 0.787 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847151 1201306800 /nfs/dbraw/zinc/30/68/00/1201306800.db2.gz VUMPHDCJFXUVCE-HUYLIWGRSA-N 2 2 390.528 0.787 20 0 GCADLP CO[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081847151 1201306814 /nfs/dbraw/zinc/30/68/14/1201306814.db2.gz VUMPHDCJFXUVCE-HUYLIWGRSA-N 2 2 390.528 0.787 20 0 GCADLP CO[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081847151 1201306819 /nfs/dbraw/zinc/30/68/19/1201306819.db2.gz VUMPHDCJFXUVCE-HUYLIWGRSA-N 2 2 390.528 0.787 20 0 GCADLP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149662 1201321336 /nfs/dbraw/zinc/32/13/36/1201321336.db2.gz HLKWSNXIDWFFFJ-YFHUEUNASA-N 2 2 387.488 0.248 20 0 GCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149662 1201321342 /nfs/dbraw/zinc/32/13/42/1201321342.db2.gz HLKWSNXIDWFFFJ-YFHUEUNASA-N 2 2 387.488 0.248 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082572370 1201337399 /nfs/dbraw/zinc/33/73/99/1201337399.db2.gz ZFFHWFGZPIFINE-IXYNUQLISA-N 2 2 386.504 0.934 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082572370 1201337403 /nfs/dbraw/zinc/33/74/03/1201337403.db2.gz ZFFHWFGZPIFINE-IXYNUQLISA-N 2 2 386.504 0.934 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4nc(N(C)C)no4)[C@H]3C2)CC[N@@H+]1C ZINC001084943993 1201503011 /nfs/dbraw/zinc/50/30/11/1201503011.db2.gz LXELQZZJFAACQR-FPCVCCKLSA-N 2 2 376.505 0.899 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4nc(N(C)C)no4)[C@H]3C2)CC[N@H+]1C ZINC001084943993 1201503014 /nfs/dbraw/zinc/50/30/14/1201503014.db2.gz LXELQZZJFAACQR-FPCVCCKLSA-N 2 2 376.505 0.899 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(N(C)C)no4)[C@H]3C2)CC[NH+]1C ZINC001084943993 1201503017 /nfs/dbraw/zinc/50/30/17/1201503017.db2.gz LXELQZZJFAACQR-FPCVCCKLSA-N 2 2 376.505 0.899 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(N(C)C)no4)[C@H]3C2)CC[NH+]1C ZINC001084943993 1201503020 /nfs/dbraw/zinc/50/30/20/1201503020.db2.gz LXELQZZJFAACQR-FPCVCCKLSA-N 2 2 376.505 0.899 20 0 GCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)nn1 ZINC001084970199 1201514523 /nfs/dbraw/zinc/51/45/23/1201514523.db2.gz TWXJEWIAQCULQL-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP COc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)nn1 ZINC001084970199 1201514529 /nfs/dbraw/zinc/51/45/29/1201514529.db2.gz TWXJEWIAQCULQL-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP COc1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]32)nn1 ZINC001084970199 1201514532 /nfs/dbraw/zinc/51/45/32/1201514532.db2.gz TWXJEWIAQCULQL-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP COc1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]32)nn1 ZINC001084970199 1201514538 /nfs/dbraw/zinc/51/45/38/1201514538.db2.gz TWXJEWIAQCULQL-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP Cc1cc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]32)nn1C ZINC001084970225 1201514584 /nfs/dbraw/zinc/51/45/84/1201514584.db2.gz VDCIGMFGAZMCAP-ZAWLATJESA-N 2 2 375.517 0.870 20 0 GCADLP Cc1cc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]32)nn1C ZINC001084970225 1201514588 /nfs/dbraw/zinc/51/45/88/1201514588.db2.gz VDCIGMFGAZMCAP-ZAWLATJESA-N 2 2 375.517 0.870 20 0 GCADLP Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)nn1C ZINC001084970225 1201514592 /nfs/dbraw/zinc/51/45/92/1201514592.db2.gz VDCIGMFGAZMCAP-ZAWLATJESA-N 2 2 375.517 0.870 20 0 GCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)nn1C ZINC001084970225 1201514594 /nfs/dbraw/zinc/51/45/94/1201514594.db2.gz VDCIGMFGAZMCAP-ZAWLATJESA-N 2 2 375.517 0.870 20 0 GCADLP CN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559297 1201548076 /nfs/dbraw/zinc/54/80/76/1201548076.db2.gz KVJUBNKNKYDNFH-OAHLLOKOSA-N 2 2 398.504 0.714 20 0 GCADLP CN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559297 1201548080 /nfs/dbraw/zinc/54/80/80/1201548080.db2.gz KVJUBNKNKYDNFH-OAHLLOKOSA-N 2 2 398.504 0.714 20 0 GCADLP CN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559296 1201548278 /nfs/dbraw/zinc/54/82/78/1201548278.db2.gz KVJUBNKNKYDNFH-HNNXBMFYSA-N 2 2 398.504 0.714 20 0 GCADLP CN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559296 1201548283 /nfs/dbraw/zinc/54/82/83/1201548283.db2.gz KVJUBNKNKYDNFH-HNNXBMFYSA-N 2 2 398.504 0.714 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000732819942 1201563006 /nfs/dbraw/zinc/56/30/06/1201563006.db2.gz VHDXJDBRKRYBPG-CQSZACIVSA-N 2 2 381.502 0.624 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000732819942 1201563008 /nfs/dbraw/zinc/56/30/08/1201563008.db2.gz VHDXJDBRKRYBPG-CQSZACIVSA-N 2 2 381.502 0.624 20 0 GCADLP CC(C)c1[nH+]ccn1CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000732960533 1201571225 /nfs/dbraw/zinc/57/12/25/1201571225.db2.gz NUCHQWWAETZYQO-KRWDZBQOSA-N 2 2 391.516 0.836 20 0 GCADLP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000823032808 1201588768 /nfs/dbraw/zinc/58/87/68/1201588768.db2.gz BWJTWQHCNVWNFP-HZPDHXFCSA-N 2 2 376.505 0.812 20 0 GCADLP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000823032808 1201588771 /nfs/dbraw/zinc/58/87/71/1201588771.db2.gz BWJTWQHCNVWNFP-HZPDHXFCSA-N 2 2 376.505 0.812 20 0 GCADLP CCCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085243000 1201647646 /nfs/dbraw/zinc/64/76/46/1201647646.db2.gz QGSMRVXWQIINEQ-QBPKDAKJSA-N 2 2 393.536 0.709 20 0 GCADLP CCCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085243000 1201647647 /nfs/dbraw/zinc/64/76/47/1201647647.db2.gz QGSMRVXWQIINEQ-QBPKDAKJSA-N 2 2 393.536 0.709 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C(C)(C)C)O1 ZINC001085242584 1201647898 /nfs/dbraw/zinc/64/78/98/1201647898.db2.gz YCPDBCXSNCSNHX-KLHDSHLOSA-N 2 2 393.536 0.664 20 0 GCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1C ZINC001085242334 1201648411 /nfs/dbraw/zinc/64/84/11/1201648411.db2.gz NNKXFQBMOBMCGE-KLHDSHLOSA-N 2 2 378.521 0.614 20 0 GCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1C ZINC001085242334 1201648412 /nfs/dbraw/zinc/64/84/12/1201648412.db2.gz NNKXFQBMOBMCGE-KLHDSHLOSA-N 2 2 378.521 0.614 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(C3CC3)nn2C)O1 ZINC001085242752 1201648421 /nfs/dbraw/zinc/64/84/21/1201648421.db2.gz FQQBJSSIVIFTQN-MWQQHZPXSA-N 2 2 390.532 0.929 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(C3CC3)nn2C)O1 ZINC001085242752 1201648423 /nfs/dbraw/zinc/64/84/23/1201648423.db2.gz FQQBJSSIVIFTQN-MWQQHZPXSA-N 2 2 390.532 0.929 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000734487677 1201653344 /nfs/dbraw/zinc/65/33/44/1201653344.db2.gz ULKNEBCCQXYGQX-MSOLQXFVSA-N 2 2 395.548 0.387 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000734487677 1201653345 /nfs/dbraw/zinc/65/33/45/1201653345.db2.gz ULKNEBCCQXYGQX-MSOLQXFVSA-N 2 2 395.548 0.387 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085337612 1201675732 /nfs/dbraw/zinc/67/57/32/1201675732.db2.gz KGQRVLPHJBAALQ-QBPKDAKJSA-N 2 2 389.500 0.399 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085337990 1201676817 /nfs/dbraw/zinc/67/68/17/1201676817.db2.gz GWJXPZDTCHSQQJ-KLHDSHLOSA-N 2 2 387.484 0.690 20 0 GCADLP N=C1NC(=O)[C@H](CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)S1 ZINC000742599721 1201802533 /nfs/dbraw/zinc/80/25/33/1201802533.db2.gz KUQLRXFZUHEEPE-AWEZNQCLSA-N 2 2 376.486 0.266 20 0 GCADLP N=C1NC(=O)C(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)S1 ZINC000742599721 1201802536 /nfs/dbraw/zinc/80/25/36/1201802536.db2.gz KUQLRXFZUHEEPE-AWEZNQCLSA-N 2 2 376.486 0.266 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001006305232 1201869599 /nfs/dbraw/zinc/86/95/99/1201869599.db2.gz ZAPYVUKVAXWYRC-NCOADZHNSA-N 2 2 378.517 0.297 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001006305232 1201869603 /nfs/dbraw/zinc/86/96/03/1201869603.db2.gz ZAPYVUKVAXWYRC-NCOADZHNSA-N 2 2 378.517 0.297 20 0 GCADLP C[NH+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C3)C1 ZINC001006305232 1201869604 /nfs/dbraw/zinc/86/96/04/1201869604.db2.gz ZAPYVUKVAXWYRC-NCOADZHNSA-N 2 2 378.517 0.297 20 0 GCADLP C[NH+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C3)C1 ZINC001006305232 1201869605 /nfs/dbraw/zinc/86/96/05/1201869605.db2.gz ZAPYVUKVAXWYRC-NCOADZHNSA-N 2 2 378.517 0.297 20 0 GCADLP COC(=O)C1CCN(C(=O)c2cccnc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001169070861 1201931896 /nfs/dbraw/zinc/93/18/96/1201931896.db2.gz DUHWSXHIVVBZIG-CQSZACIVSA-N 2 2 387.440 0.155 20 0 GCADLP CS(=O)(=O)N1CCC(c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2)CC1 ZINC001169075709 1201931931 /nfs/dbraw/zinc/93/19/31/1201931931.db2.gz VVBSEWAZDDMCCQ-MRXNPFEDSA-N 2 2 378.498 0.873 20 0 GCADLP CN(c1ccccc1)S(=O)(=O)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072476 1201931973 /nfs/dbraw/zinc/93/19/73/1201931973.db2.gz SJXVHFFTBBOYBV-CQSZACIVSA-N 2 2 387.465 0.955 20 0 GCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c2nccn2ccc1I ZINC001169072203 1201932160 /nfs/dbraw/zinc/93/21/60/1201932160.db2.gz KPWCRHKUXAAHHP-SECBINFHSA-N 2 2 383.193 0.987 20 0 GCADLP CCOC1CC(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)([NH+]2CCOCC2)C1 ZINC000767802679 1201988478 /nfs/dbraw/zinc/98/84/78/1201988478.db2.gz XJFJFUIDHFSQSB-BHASAWDCSA-N 2 2 396.532 0.419 20 0 GCADLP CCOC1CC(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)([NH+]2CCOCC2)C1 ZINC000767802679 1201988480 /nfs/dbraw/zinc/98/84/80/1201988480.db2.gz XJFJFUIDHFSQSB-BHASAWDCSA-N 2 2 396.532 0.419 20 0 GCADLP CCOC1CC(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)([NH+]2CCOCC2)C1 ZINC000767802680 1201988657 /nfs/dbraw/zinc/98/86/57/1201988657.db2.gz XJFJFUIDHFSQSB-BOHSKOPMSA-N 2 2 396.532 0.419 20 0 GCADLP CCOC1CC(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)([NH+]2CCOCC2)C1 ZINC000767802680 1201988659 /nfs/dbraw/zinc/98/86/59/1201988659.db2.gz XJFJFUIDHFSQSB-BOHSKOPMSA-N 2 2 396.532 0.419 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNC(=O)C(F)(F)F ZINC001109067315 1201992208 /nfs/dbraw/zinc/99/22/08/1201992208.db2.gz AVTOQAZSALMTPZ-ZOBORPQBSA-N 2 2 376.423 0.871 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNC(=O)C(F)(F)F ZINC001109067315 1201992210 /nfs/dbraw/zinc/99/22/10/1201992210.db2.gz AVTOQAZSALMTPZ-ZOBORPQBSA-N 2 2 376.423 0.871 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001109067315 1201992211 /nfs/dbraw/zinc/99/22/11/1201992211.db2.gz AVTOQAZSALMTPZ-ZOBORPQBSA-N 2 2 376.423 0.871 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNC(=O)C(F)(F)F ZINC001109067315 1201992213 /nfs/dbraw/zinc/99/22/13/1201992213.db2.gz AVTOQAZSALMTPZ-ZOBORPQBSA-N 2 2 376.423 0.871 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109263939 1202012156 /nfs/dbraw/zinc/01/21/56/1202012156.db2.gz KCSCHPQETKUNHE-VSZNYVQBSA-N 2 2 380.533 0.733 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109263939 1202012162 /nfs/dbraw/zinc/01/21/62/1202012162.db2.gz KCSCHPQETKUNHE-VSZNYVQBSA-N 2 2 380.533 0.733 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109263939 1202012164 /nfs/dbraw/zinc/01/21/64/1202012164.db2.gz KCSCHPQETKUNHE-VSZNYVQBSA-N 2 2 380.533 0.733 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109263939 1202012169 /nfs/dbraw/zinc/01/21/69/1202012169.db2.gz KCSCHPQETKUNHE-VSZNYVQBSA-N 2 2 380.533 0.733 20 0 GCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)[nH]n1 ZINC001109310537 1202017080 /nfs/dbraw/zinc/01/70/80/1202017080.db2.gz KYYFSNCYZLCTFK-NONVJHHQSA-N 2 2 377.489 0.520 20 0 GCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)[nH]n1 ZINC001109310537 1202017082 /nfs/dbraw/zinc/01/70/82/1202017082.db2.gz KYYFSNCYZLCTFK-NONVJHHQSA-N 2 2 377.489 0.520 20 0 GCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)[nH]n1 ZINC001109310537 1202017084 /nfs/dbraw/zinc/01/70/84/1202017084.db2.gz KYYFSNCYZLCTFK-NONVJHHQSA-N 2 2 377.489 0.520 20 0 GCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)[nH]n1 ZINC001109310537 1202017085 /nfs/dbraw/zinc/01/70/85/1202017085.db2.gz KYYFSNCYZLCTFK-NONVJHHQSA-N 2 2 377.489 0.520 20 0 GCADLP C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)CCO1 ZINC001109400446 1202037802 /nfs/dbraw/zinc/03/78/02/1202037802.db2.gz GIOGCLWKKVFNLQ-YVSFHVDLSA-N 2 2 378.517 0.440 20 0 GCADLP C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)CCO1 ZINC001109400446 1202037805 /nfs/dbraw/zinc/03/78/05/1202037805.db2.gz GIOGCLWKKVFNLQ-YVSFHVDLSA-N 2 2 378.517 0.440 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402436 1202038964 /nfs/dbraw/zinc/03/89/64/1202038964.db2.gz QNRAASWGGVOLER-KBXIAJHMSA-N 2 2 379.505 0.426 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402436 1202038967 /nfs/dbraw/zinc/03/89/67/1202038967.db2.gz QNRAASWGGVOLER-KBXIAJHMSA-N 2 2 379.505 0.426 20 0 GCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1)C1CCC1 ZINC001109410616 1202039676 /nfs/dbraw/zinc/03/96/76/1202039676.db2.gz MCCGSTHIDKERRI-PMPSAXMXSA-N 2 2 377.489 0.180 20 0 GCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1)C1CCC1 ZINC001109410616 1202039677 /nfs/dbraw/zinc/03/96/77/1202039677.db2.gz MCCGSTHIDKERRI-PMPSAXMXSA-N 2 2 377.489 0.180 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1)C1CCC1 ZINC001109410616 1202039679 /nfs/dbraw/zinc/03/96/79/1202039679.db2.gz MCCGSTHIDKERRI-PMPSAXMXSA-N 2 2 377.489 0.180 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1)C1CCC1 ZINC001109410616 1202039680 /nfs/dbraw/zinc/03/96/80/1202039680.db2.gz MCCGSTHIDKERRI-PMPSAXMXSA-N 2 2 377.489 0.180 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109406358 1202039844 /nfs/dbraw/zinc/03/98/44/1202039844.db2.gz YDBLZNQTNHELLW-OJLVUWQFSA-N 2 2 379.505 0.426 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109406358 1202039847 /nfs/dbraw/zinc/03/98/47/1202039847.db2.gz YDBLZNQTNHELLW-OJLVUWQFSA-N 2 2 379.505 0.426 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109406358 1202039850 /nfs/dbraw/zinc/03/98/50/1202039850.db2.gz YDBLZNQTNHELLW-OJLVUWQFSA-N 2 2 379.505 0.426 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109406358 1202039852 /nfs/dbraw/zinc/03/98/52/1202039852.db2.gz YDBLZNQTNHELLW-OJLVUWQFSA-N 2 2 379.505 0.426 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)COCCOCC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000769147294 1202048071 /nfs/dbraw/zinc/04/80/71/1202048071.db2.gz WYCOXLXPAVHMAZ-XMTFNYHQSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)COCCOCC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000769147294 1202048072 /nfs/dbraw/zinc/04/80/72/1202048072.db2.gz WYCOXLXPAVHMAZ-XMTFNYHQSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)COCCOCC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000769147294 1202048074 /nfs/dbraw/zinc/04/80/74/1202048074.db2.gz WYCOXLXPAVHMAZ-XMTFNYHQSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)COCCOCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000769147294 1202048077 /nfs/dbraw/zinc/04/80/77/1202048077.db2.gz WYCOXLXPAVHMAZ-XMTFNYHQSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)O1 ZINC001109442928 1202051632 /nfs/dbraw/zinc/05/16/32/1202051632.db2.gz NIEXFGAHQSVBPZ-FWEDZOCSSA-N 2 2 378.517 0.295 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)O1 ZINC001109442928 1202051635 /nfs/dbraw/zinc/05/16/35/1202051635.db2.gz NIEXFGAHQSVBPZ-FWEDZOCSSA-N 2 2 378.517 0.295 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC2CC2)O1 ZINC001109442928 1202051637 /nfs/dbraw/zinc/05/16/37/1202051637.db2.gz NIEXFGAHQSVBPZ-FWEDZOCSSA-N 2 2 378.517 0.295 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC2CC2)O1 ZINC001109442928 1202051640 /nfs/dbraw/zinc/05/16/40/1202051640.db2.gz NIEXFGAHQSVBPZ-FWEDZOCSSA-N 2 2 378.517 0.295 20 0 GCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109442716 1202051864 /nfs/dbraw/zinc/05/18/64/1202051864.db2.gz DBPUPHSVFNVOMU-UHDSXZAQSA-N 2 2 381.521 0.135 20 0 GCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109442716 1202051866 /nfs/dbraw/zinc/05/18/66/1202051866.db2.gz DBPUPHSVFNVOMU-UHDSXZAQSA-N 2 2 381.521 0.135 20 0 GCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001109442716 1202051868 /nfs/dbraw/zinc/05/18/68/1202051868.db2.gz DBPUPHSVFNVOMU-UHDSXZAQSA-N 2 2 381.521 0.135 20 0 GCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001109442716 1202051869 /nfs/dbraw/zinc/05/18/69/1202051869.db2.gz DBPUPHSVFNVOMU-UHDSXZAQSA-N 2 2 381.521 0.135 20 0 GCADLP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2)C1CC1 ZINC001109442805 1202052004 /nfs/dbraw/zinc/05/20/04/1202052004.db2.gz HXYGCHCZNPJCCV-FWEDZOCSSA-N 2 2 378.517 0.438 20 0 GCADLP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2)C1CC1 ZINC001109442805 1202052008 /nfs/dbraw/zinc/05/20/08/1202052008.db2.gz HXYGCHCZNPJCCV-FWEDZOCSSA-N 2 2 378.517 0.438 20 0 GCADLP CCN(C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2)C1CC1 ZINC001109442805 1202052011 /nfs/dbraw/zinc/05/20/11/1202052011.db2.gz HXYGCHCZNPJCCV-FWEDZOCSSA-N 2 2 378.517 0.438 20 0 GCADLP CCN(C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2)C1CC1 ZINC001109442805 1202052014 /nfs/dbraw/zinc/05/20/14/1202052014.db2.gz HXYGCHCZNPJCCV-FWEDZOCSSA-N 2 2 378.517 0.438 20 0 GCADLP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001109472912 1202058782 /nfs/dbraw/zinc/05/87/82/1202058782.db2.gz MFXJJLSOLVKLRN-ILXRZTDVSA-N 2 2 379.505 0.556 20 0 GCADLP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001109472912 1202058785 /nfs/dbraw/zinc/05/87/85/1202058785.db2.gz MFXJJLSOLVKLRN-ILXRZTDVSA-N 2 2 379.505 0.556 20 0 GCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109472912 1202058787 /nfs/dbraw/zinc/05/87/87/1202058787.db2.gz MFXJJLSOLVKLRN-ILXRZTDVSA-N 2 2 379.505 0.556 20 0 GCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109472912 1202058792 /nfs/dbraw/zinc/05/87/92/1202058792.db2.gz MFXJJLSOLVKLRN-ILXRZTDVSA-N 2 2 379.505 0.556 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109525432 1202071630 /nfs/dbraw/zinc/07/16/30/1202071630.db2.gz CIDDVORJPWYXCD-QZWWFDLISA-N 2 2 375.473 0.208 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109525432 1202071633 /nfs/dbraw/zinc/07/16/33/1202071633.db2.gz CIDDVORJPWYXCD-QZWWFDLISA-N 2 2 375.473 0.208 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525388 1202071701 /nfs/dbraw/zinc/07/17/01/1202071701.db2.gz BRVBMNFFJLTVLV-ILXRZTDVSA-N 2 2 376.461 0.149 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525388 1202071703 /nfs/dbraw/zinc/07/17/03/1202071703.db2.gz BRVBMNFFJLTVLV-ILXRZTDVSA-N 2 2 376.461 0.149 20 0 GCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC)C1 ZINC001109635657 1202095688 /nfs/dbraw/zinc/09/56/88/1202095688.db2.gz MOCFMGPPOKNDTM-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC)C1 ZINC001109635657 1202095691 /nfs/dbraw/zinc/09/56/91/1202095691.db2.gz MOCFMGPPOKNDTM-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC)C1 ZINC001109635657 1202095695 /nfs/dbraw/zinc/09/56/95/1202095695.db2.gz MOCFMGPPOKNDTM-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC)C1 ZINC001109635657 1202095697 /nfs/dbraw/zinc/09/56/97/1202095697.db2.gz MOCFMGPPOKNDTM-FZKCQIBNSA-N 2 2 379.505 0.286 20 0 GCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC)C1 ZINC001109635658 1202095888 /nfs/dbraw/zinc/09/58/88/1202095888.db2.gz MOCFMGPPOKNDTM-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC)C1 ZINC001109635658 1202095890 /nfs/dbraw/zinc/09/58/90/1202095890.db2.gz MOCFMGPPOKNDTM-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC)C1 ZINC001109635658 1202095893 /nfs/dbraw/zinc/09/58/93/1202095893.db2.gz MOCFMGPPOKNDTM-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC)C1 ZINC001109635658 1202095895 /nfs/dbraw/zinc/09/58/95/1202095895.db2.gz MOCFMGPPOKNDTM-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)C1 ZINC001109638625 1202096874 /nfs/dbraw/zinc/09/68/74/1202096874.db2.gz AOZTUFZQRXEOPE-VSZNYVQBSA-N 2 2 378.517 0.343 20 0 GCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)C1 ZINC001109638625 1202096878 /nfs/dbraw/zinc/09/68/78/1202096878.db2.gz AOZTUFZQRXEOPE-VSZNYVQBSA-N 2 2 378.517 0.343 20 0 GCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)C1 ZINC001109638625 1202096882 /nfs/dbraw/zinc/09/68/82/1202096882.db2.gz AOZTUFZQRXEOPE-VSZNYVQBSA-N 2 2 378.517 0.343 20 0 GCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)C1 ZINC001109638625 1202096886 /nfs/dbraw/zinc/09/68/86/1202096886.db2.gz AOZTUFZQRXEOPE-VSZNYVQBSA-N 2 2 378.517 0.343 20 0 GCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643443 1202097003 /nfs/dbraw/zinc/09/70/03/1202097003.db2.gz HQPAYDHZCBWBEX-JCECYMMASA-N 2 2 380.533 0.591 20 0 GCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643443 1202097006 /nfs/dbraw/zinc/09/70/06/1202097006.db2.gz HQPAYDHZCBWBEX-JCECYMMASA-N 2 2 380.533 0.591 20 0 GCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001109643443 1202097008 /nfs/dbraw/zinc/09/70/08/1202097008.db2.gz HQPAYDHZCBWBEX-JCECYMMASA-N 2 2 380.533 0.591 20 0 GCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109643443 1202097012 /nfs/dbraw/zinc/09/70/12/1202097012.db2.gz HQPAYDHZCBWBEX-JCECYMMASA-N 2 2 380.533 0.591 20 0 GCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC001109673736 1202103935 /nfs/dbraw/zinc/10/39/35/1202103935.db2.gz PMMBFEJCFBXCPD-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC001109673736 1202103937 /nfs/dbraw/zinc/10/39/37/1202103937.db2.gz PMMBFEJCFBXCPD-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714646 1202110360 /nfs/dbraw/zinc/11/03/60/1202110360.db2.gz RHARBQGHVGMNEQ-UGUYLWEFSA-N 2 2 381.521 0.674 20 0 GCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714646 1202110361 /nfs/dbraw/zinc/11/03/61/1202110361.db2.gz RHARBQGHVGMNEQ-UGUYLWEFSA-N 2 2 381.521 0.674 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729183 1202113315 /nfs/dbraw/zinc/11/33/15/1202113315.db2.gz XVQMAWCAWPRNHX-XGUBFFRZSA-N 2 2 381.521 0.530 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729183 1202113316 /nfs/dbraw/zinc/11/33/16/1202113316.db2.gz XVQMAWCAWPRNHX-XGUBFFRZSA-N 2 2 381.521 0.530 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109729183 1202113317 /nfs/dbraw/zinc/11/33/17/1202113317.db2.gz XVQMAWCAWPRNHX-XGUBFFRZSA-N 2 2 381.521 0.530 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109729183 1202113319 /nfs/dbraw/zinc/11/33/19/1202113319.db2.gz XVQMAWCAWPRNHX-XGUBFFRZSA-N 2 2 381.521 0.530 20 0 GCADLP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001109735646 1202115056 /nfs/dbraw/zinc/11/50/56/1202115056.db2.gz QFJKJDVECGSOTL-DZVNLGKHSA-N 2 2 389.500 0.398 20 0 GCADLP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001109735646 1202115057 /nfs/dbraw/zinc/11/50/57/1202115057.db2.gz QFJKJDVECGSOTL-DZVNLGKHSA-N 2 2 389.500 0.398 20 0 GCADLP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001109735380 1202115284 /nfs/dbraw/zinc/11/52/84/1202115284.db2.gz DRVOEXJDVXTWIC-RANZSIQMSA-N 2 2 378.517 0.487 20 0 GCADLP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001109735380 1202115289 /nfs/dbraw/zinc/11/52/89/1202115289.db2.gz DRVOEXJDVXTWIC-RANZSIQMSA-N 2 2 378.517 0.487 20 0 GCADLP CC(C)N1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109849572 1202135488 /nfs/dbraw/zinc/13/54/88/1202135488.db2.gz XQTAQBJEPVYWFN-VSZNYVQBSA-N 2 2 378.517 0.440 20 0 GCADLP CC(C)N1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109849572 1202135491 /nfs/dbraw/zinc/13/54/91/1202135491.db2.gz XQTAQBJEPVYWFN-VSZNYVQBSA-N 2 2 378.517 0.440 20 0 GCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849407 1202135937 /nfs/dbraw/zinc/13/59/37/1202135937.db2.gz QPJFXHXDUJHSRL-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849407 1202135938 /nfs/dbraw/zinc/13/59/38/1202135938.db2.gz QPJFXHXDUJHSRL-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771766105 1202161916 /nfs/dbraw/zinc/16/19/16/1202161916.db2.gz QIZGTJPNXMXJRI-OTWHNJEPSA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771766105 1202161918 /nfs/dbraw/zinc/16/19/18/1202161918.db2.gz QIZGTJPNXMXJRI-OTWHNJEPSA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000771766105 1202161919 /nfs/dbraw/zinc/16/19/19/1202161919.db2.gz QIZGTJPNXMXJRI-OTWHNJEPSA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000771766105 1202161920 /nfs/dbraw/zinc/16/19/20/1202161920.db2.gz QIZGTJPNXMXJRI-OTWHNJEPSA-N 3 2 379.549 0.660 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976089 1202164430 /nfs/dbraw/zinc/16/44/30/1202164430.db2.gz QUZUVCRDNNUODA-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976089 1202164432 /nfs/dbraw/zinc/16/44/32/1202164432.db2.gz QUZUVCRDNNUODA-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109976089 1202164435 /nfs/dbraw/zinc/16/44/35/1202164435.db2.gz QUZUVCRDNNUODA-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109976089 1202164438 /nfs/dbraw/zinc/16/44/38/1202164438.db2.gz QUZUVCRDNNUODA-WCVJEAGWSA-N 2 2 379.505 0.286 20 0 GCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1 ZINC001109977414 1202165431 /nfs/dbraw/zinc/16/54/31/1202165431.db2.gz IINQZIAGTKRYJU-MHORFTMASA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H]1CCCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1 ZINC001109977414 1202165432 /nfs/dbraw/zinc/16/54/32/1202165432.db2.gz IINQZIAGTKRYJU-MHORFTMASA-N 2 2 380.533 0.545 20 0 GCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001110021393 1202175813 /nfs/dbraw/zinc/17/58/13/1202175813.db2.gz BYBLPTCQOOERPQ-UKMLZYKCSA-N 2 2 379.505 0.426 20 0 GCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001110021393 1202175815 /nfs/dbraw/zinc/17/58/15/1202175815.db2.gz BYBLPTCQOOERPQ-UKMLZYKCSA-N 2 2 379.505 0.426 20 0 GCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001110021393 1202175817 /nfs/dbraw/zinc/17/58/17/1202175817.db2.gz BYBLPTCQOOERPQ-UKMLZYKCSA-N 2 2 379.505 0.426 20 0 GCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001110021393 1202175819 /nfs/dbraw/zinc/17/58/19/1202175819.db2.gz BYBLPTCQOOERPQ-UKMLZYKCSA-N 2 2 379.505 0.426 20 0 GCADLP CN(C(=O)C(=O)NCCSC(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000788524202 1205424755 /nfs/dbraw/zinc/42/47/55/1205424755.db2.gz CURSZKNOWGXUDH-CYBMUJFWSA-N 2 2 396.479 0.983 20 0 GCADLP CN(C(=O)C(=O)NCCSC(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000788524202 1205424757 /nfs/dbraw/zinc/42/47/57/1205424757.db2.gz CURSZKNOWGXUDH-CYBMUJFWSA-N 2 2 396.479 0.983 20 0 GCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788648623 1205426641 /nfs/dbraw/zinc/42/66/41/1205426641.db2.gz ZJWZGYOLYKTFFY-DOTOQJQBSA-N 2 2 396.532 0.765 20 0 GCADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790732457 1205470663 /nfs/dbraw/zinc/47/06/63/1205470663.db2.gz LOMUDULLVXHBNB-CJNGLKHVSA-N 2 2 376.509 0.879 20 0 GCADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790732457 1205470664 /nfs/dbraw/zinc/47/06/64/1205470664.db2.gz LOMUDULLVXHBNB-CJNGLKHVSA-N 2 2 376.509 0.879 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792147115 1205484182 /nfs/dbraw/zinc/48/41/82/1205484182.db2.gz GQMLFJWRGBFJLM-QGZVFWFLSA-N 2 2 397.564 0.681 20 0 GCADLP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000792479452 1205488591 /nfs/dbraw/zinc/48/85/91/1205488591.db2.gz PNUYLLFLVNJWOR-UHFFFAOYSA-N 2 2 384.521 0.768 20 0 GCADLP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000792479452 1205488592 /nfs/dbraw/zinc/48/85/92/1205488592.db2.gz PNUYLLFLVNJWOR-UHFFFAOYSA-N 2 2 384.521 0.768 20 0 GCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(OCC[NH+]3CCOCC3)nc2)O1 ZINC001170279943 1205490510 /nfs/dbraw/zinc/49/05/10/1205490510.db2.gz PXXYNSMYQPMLFK-LMMKCTJWSA-N 2 2 380.489 0.929 20 0 GCADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000792971524 1205495294 /nfs/dbraw/zinc/49/52/94/1205495294.db2.gz BIBICPMSUYIABB-MRXNPFEDSA-N 2 2 384.521 0.502 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000793696668 1205503986 /nfs/dbraw/zinc/50/39/86/1205503986.db2.gz HFGHNIBOZLCKBA-QGZVFWFLSA-N 3 2 381.565 0.461 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000793696668 1205503988 /nfs/dbraw/zinc/50/39/88/1205503988.db2.gz HFGHNIBOZLCKBA-QGZVFWFLSA-N 3 2 381.565 0.461 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793701018 1205504297 /nfs/dbraw/zinc/50/42/97/1205504297.db2.gz NNUWPQKBZKTRCT-PKOBYXMFSA-N 3 2 393.576 0.604 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793701018 1205504298 /nfs/dbraw/zinc/50/42/98/1205504298.db2.gz NNUWPQKBZKTRCT-PKOBYXMFSA-N 3 2 393.576 0.604 20 0 GCADLP Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000806209421 1205551597 /nfs/dbraw/zinc/55/15/97/1205551597.db2.gz AGFGTUPTWCGCQL-CQSZACIVSA-N 2 2 393.919 0.944 20 0 GCADLP Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000806209421 1205551598 /nfs/dbraw/zinc/55/15/98/1205551598.db2.gz AGFGTUPTWCGCQL-CQSZACIVSA-N 2 2 393.919 0.944 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)C2)CC1 ZINC000806211230 1205551928 /nfs/dbraw/zinc/55/19/28/1205551928.db2.gz UTMHWJLASQKUCZ-DOTOQJQBSA-N 2 2 394.516 0.073 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)C2)CC1 ZINC000806211230 1205551929 /nfs/dbraw/zinc/55/19/29/1205551929.db2.gz UTMHWJLASQKUCZ-DOTOQJQBSA-N 2 2 394.516 0.073 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC1(C)OCCO1 ZINC000806210745 1205551951 /nfs/dbraw/zinc/55/19/51/1205551951.db2.gz ZBQNIRFMXLDSEO-HOTGVXAUSA-N 2 2 396.532 0.177 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC1(C)OCCO1 ZINC000806210745 1205551952 /nfs/dbraw/zinc/55/19/52/1205551952.db2.gz ZBQNIRFMXLDSEO-HOTGVXAUSA-N 2 2 396.532 0.177 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806502852 1205557848 /nfs/dbraw/zinc/55/78/48/1205557848.db2.gz JDLJXKMMOPDZNO-NEWSRXKRSA-N 3 2 393.576 0.602 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806502852 1205557850 /nfs/dbraw/zinc/55/78/50/1205557850.db2.gz JDLJXKMMOPDZNO-NEWSRXKRSA-N 3 2 393.576 0.602 20 0 GCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130675308 1205559614 /nfs/dbraw/zinc/55/96/14/1205559614.db2.gz RCZZEXKCPLMVMR-XLMAVXFVSA-N 2 2 386.500 0.878 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000806688975 1205561874 /nfs/dbraw/zinc/56/18/74/1205561874.db2.gz BPGKVRTVQQNLNY-KRWDZBQOSA-N 2 2 396.532 0.273 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000806688975 1205561875 /nfs/dbraw/zinc/56/18/75/1205561875.db2.gz BPGKVRTVQQNLNY-KRWDZBQOSA-N 2 2 396.532 0.273 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747470631 1205604280 /nfs/dbraw/zinc/60/42/80/1205604280.db2.gz NHSKCKIRGOCJRQ-INIZCTEOSA-N 3 2 381.521 0.393 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747470631 1205604281 /nfs/dbraw/zinc/60/42/81/1205604281.db2.gz NHSKCKIRGOCJRQ-INIZCTEOSA-N 3 2 381.521 0.393 20 0 GCADLP CC(C)(C)OC(=O)NCCOCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000809943054 1205631601 /nfs/dbraw/zinc/63/16/01/1205631601.db2.gz SWBBUFQNPXPBQR-UHFFFAOYSA-N 2 2 384.521 0.768 20 0 GCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103409 1205676807 /nfs/dbraw/zinc/67/68/07/1205676807.db2.gz SODIKHJAQWBMPZ-OJLVUWQFSA-N 2 2 377.489 0.180 20 0 GCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103409 1205676808 /nfs/dbraw/zinc/67/68/08/1205676808.db2.gz SODIKHJAQWBMPZ-OJLVUWQFSA-N 2 2 377.489 0.180 20 0 GCADLP CCN1CC[C@@H]([N@@H+]2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)CC1=O ZINC001172037302 1205712189 /nfs/dbraw/zinc/71/21/89/1205712189.db2.gz OSXVGPNLSKFTJF-AEFFLSMTSA-N 2 2 390.532 0.838 20 0 GCADLP CCN1CC[C@@H]([N@H+]2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)CC1=O ZINC001172037302 1205712190 /nfs/dbraw/zinc/71/21/90/1205712190.db2.gz OSXVGPNLSKFTJF-AEFFLSMTSA-N 2 2 390.532 0.838 20 0 GCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172115750 1205713214 /nfs/dbraw/zinc/71/32/14/1205713214.db2.gz ZXAFADDAMZXSIZ-OYSTVDSJSA-N 2 2 388.512 0.165 20 0 GCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172115750 1205713216 /nfs/dbraw/zinc/71/32/16/1205713216.db2.gz ZXAFADDAMZXSIZ-OYSTVDSJSA-N 2 2 388.512 0.165 20 0 GCADLP COCCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CC1 ZINC001172249630 1205714879 /nfs/dbraw/zinc/71/48/79/1205714879.db2.gz MBGJUUJBEFLNAV-SFHVURJKSA-N 2 2 376.501 0.290 20 0 GCADLP COCCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001172249832 1205714904 /nfs/dbraw/zinc/71/49/04/1205714904.db2.gz RBYFUNQAJAFOCI-LPHOPBHVSA-N 2 2 390.528 0.678 20 0 GCADLP CC(C)COCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172470945 1205715782 /nfs/dbraw/zinc/71/57/82/1205715782.db2.gz HIULCZTUCXKVFO-PVAVHDDUSA-N 2 2 379.505 0.853 20 0 GCADLP COC(=O)[C@H]1CCC[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001172612063 1205716345 /nfs/dbraw/zinc/71/63/45/1205716345.db2.gz RBBWGTKBTQESGV-XRGAULLZSA-N 2 2 391.472 0.134 20 0 GCADLP NC(=O)[C@@H]([NH3+])Cc1cn(C2CC[NH+](CC(=O)OCc3ccccc3)CC2)cn1 ZINC001173465327 1205721247 /nfs/dbraw/zinc/72/12/47/1205721247.db2.gz FILZTSSYVXBPPO-SFHVURJKSA-N 2 2 385.468 0.619 20 0 GCADLP COC(=O)CCCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001173447506 1205721270 /nfs/dbraw/zinc/72/12/70/1205721270.db2.gz DYRYULDRWQZFCS-BPUTZDHNSA-N 2 2 393.488 0.524 20 0 GCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173506086 1205721942 /nfs/dbraw/zinc/72/19/42/1205721942.db2.gz HJOJSCIYMJEECQ-MSOLQXFVSA-N 2 2 389.496 0.879 20 0 GCADLP CC[C@@]1(C(=O)OC)C[C@H]([NH+]2CCN(CC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173542986 1205722905 /nfs/dbraw/zinc/72/29/05/1205722905.db2.gz PYWSEZSVVFWONU-KXBFYZLASA-N 2 2 384.521 0.894 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110195138 1205746239 /nfs/dbraw/zinc/74/62/39/1205746239.db2.gz SOHMVWRKSWHSET-MQYQWHSLSA-N 2 2 376.379 0.544 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110195138 1205746240 /nfs/dbraw/zinc/74/62/40/1205746240.db2.gz SOHMVWRKSWHSET-MQYQWHSLSA-N 2 2 376.379 0.544 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001110195139 1205746452 /nfs/dbraw/zinc/74/64/52/1205746452.db2.gz SOHMVWRKSWHSET-RFGFWPKPSA-N 2 2 376.379 0.544 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(F)(F)F ZINC001110195139 1205746453 /nfs/dbraw/zinc/74/64/53/1205746453.db2.gz SOHMVWRKSWHSET-RFGFWPKPSA-N 2 2 376.379 0.544 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3(c4ccccn4)CC3)CC2)C1=O ZINC001176802849 1205754584 /nfs/dbraw/zinc/75/45/84/1205754584.db2.gz ZLFYSRFAUWGXBU-UHFFFAOYSA-N 2 2 399.539 0.810 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3(c4ccccn4)CC3)CC2)C1=O ZINC001176802849 1205754586 /nfs/dbraw/zinc/75/45/86/1205754586.db2.gz ZLFYSRFAUWGXBU-UHFFFAOYSA-N 2 2 399.539 0.810 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCc3ncc[nH]3)CC2)C1=O ZINC001177994211 1205780673 /nfs/dbraw/zinc/78/06/73/1205780673.db2.gz SNBUHIPQEUTWHA-UHFFFAOYSA-N 2 2 376.505 0.039 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCc3ncc[nH]3)CC2)C1=O ZINC001177994211 1205780675 /nfs/dbraw/zinc/78/06/75/1205780675.db2.gz SNBUHIPQEUTWHA-UHFFFAOYSA-N 2 2 376.505 0.039 20 0 GCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC001179018143 1205798185 /nfs/dbraw/zinc/79/81/85/1205798185.db2.gz ZTMAMXYNODROSD-INIZCTEOSA-N 2 2 380.533 0.546 20 0 GCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC001179018143 1205798187 /nfs/dbraw/zinc/79/81/87/1205798187.db2.gz ZTMAMXYNODROSD-INIZCTEOSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)CN1CC[NH+](C(C)C)CC1)C2 ZINC001180346573 1205822147 /nfs/dbraw/zinc/82/21/47/1205822147.db2.gz BLRSLPUTJFURKP-UHFFFAOYSA-N 2 2 391.564 0.877 20 0 GCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)CN1CC[NH+](C(C)C)CC1)C2 ZINC001180346573 1205822148 /nfs/dbraw/zinc/82/21/48/1205822148.db2.gz BLRSLPUTJFURKP-UHFFFAOYSA-N 2 2 391.564 0.877 20 0 GCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC001180408884 1205824506 /nfs/dbraw/zinc/82/45/06/1205824506.db2.gz SQSNRXWADRTZQY-OKZBNKHCSA-N 2 2 375.469 0.354 20 0 GCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC001180408884 1205824509 /nfs/dbraw/zinc/82/45/09/1205824509.db2.gz SQSNRXWADRTZQY-OKZBNKHCSA-N 2 2 375.469 0.354 20 0 GCADLP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001180408884 1205824511 /nfs/dbraw/zinc/82/45/11/1205824511.db2.gz SQSNRXWADRTZQY-OKZBNKHCSA-N 2 2 375.469 0.354 20 0 GCADLP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001180408884 1205824513 /nfs/dbraw/zinc/82/45/13/1205824513.db2.gz SQSNRXWADRTZQY-OKZBNKHCSA-N 2 2 375.469 0.354 20 0 GCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC001180410583 1205824958 /nfs/dbraw/zinc/82/49/58/1205824958.db2.gz RPSBOUIQPHWDSI-YTQUADARSA-N 2 2 389.496 0.745 20 0 GCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC001180410583 1205824960 /nfs/dbraw/zinc/82/49/60/1205824960.db2.gz RPSBOUIQPHWDSI-YTQUADARSA-N 2 2 389.496 0.745 20 0 GCADLP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001180410583 1205824963 /nfs/dbraw/zinc/82/49/63/1205824963.db2.gz RPSBOUIQPHWDSI-YTQUADARSA-N 2 2 389.496 0.745 20 0 GCADLP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001180410583 1205824965 /nfs/dbraw/zinc/82/49/65/1205824965.db2.gz RPSBOUIQPHWDSI-YTQUADARSA-N 2 2 389.496 0.745 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C12CC[NH+](CC1)CC2 ZINC001181546811 1205846157 /nfs/dbraw/zinc/84/61/57/1205846157.db2.gz JDXJBQCCDFILIU-LPHOPBHVSA-N 2 2 379.501 0.727 20 0 GCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001181996357 1205852782 /nfs/dbraw/zinc/85/27/82/1205852782.db2.gz PKZNKIOQOQSCQA-SFHVURJKSA-N 3 2 393.576 0.558 20 0 GCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001181996357 1205852784 /nfs/dbraw/zinc/85/27/84/1205852784.db2.gz PKZNKIOQOQSCQA-SFHVURJKSA-N 3 2 393.576 0.558 20 0 GCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181996357 1205852787 /nfs/dbraw/zinc/85/27/87/1205852787.db2.gz PKZNKIOQOQSCQA-SFHVURJKSA-N 3 2 393.576 0.558 20 0 GCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181996357 1205852789 /nfs/dbraw/zinc/85/27/89/1205852789.db2.gz PKZNKIOQOQSCQA-SFHVURJKSA-N 3 2 393.576 0.558 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001181975927 1205853319 /nfs/dbraw/zinc/85/33/19/1205853319.db2.gz DXTPITKDCKEHNN-MRXNPFEDSA-N 2 2 384.484 0.951 20 0 GCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001181975927 1205853320 /nfs/dbraw/zinc/85/33/20/1205853320.db2.gz DXTPITKDCKEHNN-MRXNPFEDSA-N 2 2 384.484 0.951 20 0 GCADLP C[NH+]1CCC(O)(C(=O)N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)CC1 ZINC001182032171 1205853953 /nfs/dbraw/zinc/85/39/53/1205853953.db2.gz SLVNZDIWWZCSJX-UHFFFAOYSA-N 2 2 377.485 0.930 20 0 GCADLP C[NH+]1CCC(O)(C(=O)N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)CC1 ZINC001182032171 1205853955 /nfs/dbraw/zinc/85/39/55/1205853955.db2.gz SLVNZDIWWZCSJX-UHFFFAOYSA-N 2 2 377.485 0.930 20 0 GCADLP O=C(N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)[C@H]1CSCC(=O)N1 ZINC001273474062 1205860882 /nfs/dbraw/zinc/86/08/82/1205860882.db2.gz MOUWSMIHMWSNIT-OLMNPRSZSA-N 2 2 377.514 0.666 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001182298706 1205863348 /nfs/dbraw/zinc/86/33/48/1205863348.db2.gz UDTYIVXBDCUROB-CQSZACIVSA-N 2 2 378.477 0.793 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001182298706 1205863351 /nfs/dbraw/zinc/86/33/51/1205863351.db2.gz UDTYIVXBDCUROB-CQSZACIVSA-N 2 2 378.477 0.793 20 0 GCADLP C[NH+](C)C1(C(=O)N2c3ccccc3CN(C3CC[NH2+]CC3)S2(=O)=O)CC1 ZINC001182597199 1205876568 /nfs/dbraw/zinc/87/65/68/1205876568.db2.gz MXWPPROCCJHIHR-UHFFFAOYSA-N 2 2 378.498 0.926 20 0 GCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001182596604 1205876756 /nfs/dbraw/zinc/87/67/56/1205876756.db2.gz JRQBVBRQGBNGOC-MRXNPFEDSA-N 2 2 391.516 0.289 20 0 GCADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+](C)CCO1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814161 1205900532 /nfs/dbraw/zinc/90/05/32/1205900532.db2.gz BCBDNEGZRXMBRY-JKSUJKDBSA-N 2 2 384.521 0.765 20 0 GCADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](C)CCO1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814161 1205900534 /nfs/dbraw/zinc/90/05/34/1205900534.db2.gz BCBDNEGZRXMBRY-JKSUJKDBSA-N 2 2 384.521 0.765 20 0 GCADLP C[NH+](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814161 1205900535 /nfs/dbraw/zinc/90/05/35/1205900535.db2.gz BCBDNEGZRXMBRY-JKSUJKDBSA-N 2 2 384.521 0.765 20 0 GCADLP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814161 1205900537 /nfs/dbraw/zinc/90/05/37/1205900537.db2.gz BCBDNEGZRXMBRY-JKSUJKDBSA-N 2 2 384.521 0.765 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CCc2ccc(N)[nH+]c2)CC3)CC1 ZINC001183931274 1205902351 /nfs/dbraw/zinc/90/23/51/1205902351.db2.gz DCEUJPKWIFYYJW-UHFFFAOYSA-N 2 2 383.500 0.583 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[C@H]2NCN[C@H]21 ZINC001184404859 1205908960 /nfs/dbraw/zinc/90/89/60/1205908960.db2.gz MTGMWFUZSDFCPQ-XLNGHYISSA-N 2 2 378.908 0.071 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[C@H]2NCN[C@H]21 ZINC001184404859 1205908962 /nfs/dbraw/zinc/90/89/62/1205908962.db2.gz MTGMWFUZSDFCPQ-XLNGHYISSA-N 2 2 378.908 0.071 20 0 GCADLP Cc1noc(C)c1NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001185160397 1205917316 /nfs/dbraw/zinc/91/73/16/1205917316.db2.gz OFYXPYRYZVRIOQ-UHFFFAOYSA-N 2 2 392.504 0.994 20 0 GCADLP Cc1noc(C)c1NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001185160397 1205917318 /nfs/dbraw/zinc/91/73/18/1205917318.db2.gz OFYXPYRYZVRIOQ-UHFFFAOYSA-N 2 2 392.504 0.994 20 0 GCADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4C[N@H+](C)CCN4C)C3)O2)CC1 ZINC001185251764 1205919519 /nfs/dbraw/zinc/91/95/19/1205919519.db2.gz PHIPNGFKBPDRNC-SFHLNBCPSA-N 2 2 393.576 0.020 20 0 GCADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4C[N@@H+](C)CCN4C)C3)O2)CC1 ZINC001185251764 1205919521 /nfs/dbraw/zinc/91/95/21/1205919521.db2.gz PHIPNGFKBPDRNC-SFHLNBCPSA-N 2 2 393.576 0.020 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001185251764 1205919522 /nfs/dbraw/zinc/91/95/22/1205919522.db2.gz PHIPNGFKBPDRNC-SFHLNBCPSA-N 2 2 393.576 0.020 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001185251764 1205919524 /nfs/dbraw/zinc/91/95/24/1205919524.db2.gz PHIPNGFKBPDRNC-SFHLNBCPSA-N 2 2 393.576 0.020 20 0 GCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001185255686 1205919737 /nfs/dbraw/zinc/91/97/37/1205919737.db2.gz AHMCUPXJFPXNRE-PVAVHDDUSA-N 2 2 385.516 0.877 20 0 GCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001185255686 1205919739 /nfs/dbraw/zinc/91/97/39/1205919739.db2.gz AHMCUPXJFPXNRE-PVAVHDDUSA-N 2 2 385.516 0.877 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001186116627 1205935645 /nfs/dbraw/zinc/93/56/45/1205935645.db2.gz JIMZCHUDIZZVFD-INIZCTEOSA-N 2 2 394.516 0.074 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001186116627 1205935646 /nfs/dbraw/zinc/93/56/46/1205935646.db2.gz JIMZCHUDIZZVFD-INIZCTEOSA-N 2 2 394.516 0.074 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3n[nH]cc3Cl)CC2)C1=O ZINC001187836305 1205969521 /nfs/dbraw/zinc/96/95/21/1205969521.db2.gz ACMHVNKBDGWELR-UHFFFAOYSA-N 2 2 382.896 0.374 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3n[nH]cc3Cl)CC2)C1=O ZINC001187836305 1205969522 /nfs/dbraw/zinc/96/95/22/1205969522.db2.gz ACMHVNKBDGWELR-UHFFFAOYSA-N 2 2 382.896 0.374 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)(F)F)C[C@H]32)O1 ZINC001188322013 1205979176 /nfs/dbraw/zinc/97/91/76/1205979176.db2.gz FJEOANCZEYMLCI-LXTVHRRPSA-N 2 2 379.423 0.817 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)(F)F)C[C@H]32)O1 ZINC001188322013 1205979179 /nfs/dbraw/zinc/97/91/79/1205979179.db2.gz FJEOANCZEYMLCI-LXTVHRRPSA-N 2 2 379.423 0.817 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC(F)(F)F)C[C@H]32)O1 ZINC001188322013 1205979181 /nfs/dbraw/zinc/97/91/81/1205979181.db2.gz FJEOANCZEYMLCI-LXTVHRRPSA-N 2 2 379.423 0.817 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC(F)(F)F)C[C@H]32)O1 ZINC001188322013 1205979183 /nfs/dbraw/zinc/97/91/83/1205979183.db2.gz FJEOANCZEYMLCI-LXTVHRRPSA-N 2 2 379.423 0.817 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001164704960 719880535 /nfs/dbraw/zinc/88/05/35/719880535.db2.gz XXYQSZSKNZLKDX-KXBFYZLASA-N 2 2 375.473 0.396 20 0 GCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)c(C4C[NH2+]C4)n3)C2)C1 ZINC001164726089 720309597 /nfs/dbraw/zinc/30/95/97/720309597.db2.gz XTCWPOLKSRBYSG-HXUWFJFHSA-N 2 2 388.516 0.137 20 0 GCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)c(C4C[NH2+]C4)n3)C2)C1 ZINC001164726089 720309603 /nfs/dbraw/zinc/30/96/03/720309603.db2.gz XTCWPOLKSRBYSG-HXUWFJFHSA-N 2 2 388.516 0.137 20 0 GCADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164856077 720865484 /nfs/dbraw/zinc/86/54/84/720865484.db2.gz OJGDDOSSXODAMW-WMZOPIPTSA-N 3 2 390.532 0.578 20 0 GCADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164856077 720865486 /nfs/dbraw/zinc/86/54/86/720865486.db2.gz OJGDDOSSXODAMW-WMZOPIPTSA-N 3 2 390.532 0.578 20 0 GCADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC001165011364 721741139 /nfs/dbraw/zinc/74/11/39/721741139.db2.gz VZSZEYOVKRRRMD-UHFFFAOYSA-N 2 2 388.516 0.836 20 0 GCADLP C[NH+]1CCN(c2cccc(N3CCC[C@@H]4CN(S(C)(=O)=O)C[C@H]43)[nH+]2)CC1 ZINC001164949436 721984325 /nfs/dbraw/zinc/98/43/25/721984325.db2.gz QDTCVSDEZHDAHH-HZPDHXFCSA-N 2 2 379.530 0.694 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571258957 945373173 /nfs/dbraw/zinc/37/31/73/945373173.db2.gz BJWVTSTVYIOZOU-YQQAZPJKSA-N 2 2 385.447 0.885 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571258957 945373185 /nfs/dbraw/zinc/37/31/85/945373185.db2.gz BJWVTSTVYIOZOU-YQQAZPJKSA-N 2 2 385.447 0.885 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571258957 945373194 /nfs/dbraw/zinc/37/31/94/945373194.db2.gz BJWVTSTVYIOZOU-YQQAZPJKSA-N 2 2 385.447 0.885 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571258957 945373206 /nfs/dbraw/zinc/37/32/06/945373206.db2.gz BJWVTSTVYIOZOU-YQQAZPJKSA-N 2 2 385.447 0.885 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571263806 945467784 /nfs/dbraw/zinc/46/77/84/945467784.db2.gz BIIDZJGZTBOJDQ-COXVUDFISA-N 2 2 385.472 0.276 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571263806 945467794 /nfs/dbraw/zinc/46/77/94/945467794.db2.gz BIIDZJGZTBOJDQ-COXVUDFISA-N 2 2 385.472 0.276 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571263806 945467800 /nfs/dbraw/zinc/46/78/00/945467800.db2.gz BIIDZJGZTBOJDQ-COXVUDFISA-N 2 2 385.472 0.276 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571263806 945467807 /nfs/dbraw/zinc/46/78/07/945467807.db2.gz BIIDZJGZTBOJDQ-COXVUDFISA-N 2 2 385.472 0.276 20 0 GCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264398 945481157 /nfs/dbraw/zinc/48/11/57/945481157.db2.gz NWPSJONYVKMPPZ-IAGOWNOFSA-N 2 2 385.472 0.278 20 0 GCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264398 945481163 /nfs/dbraw/zinc/48/11/63/945481163.db2.gz NWPSJONYVKMPPZ-IAGOWNOFSA-N 2 2 385.472 0.278 20 0 GCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264398 945481170 /nfs/dbraw/zinc/48/11/70/945481170.db2.gz NWPSJONYVKMPPZ-IAGOWNOFSA-N 2 2 385.472 0.278 20 0 GCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264398 945481178 /nfs/dbraw/zinc/48/11/78/945481178.db2.gz NWPSJONYVKMPPZ-IAGOWNOFSA-N 2 2 385.472 0.278 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001571272256 945657979 /nfs/dbraw/zinc/65/79/79/945657979.db2.gz BWFCBEDRXUJPJY-XJKSGUPXSA-N 2 2 386.460 0.067 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001571272256 945657984 /nfs/dbraw/zinc/65/79/84/945657984.db2.gz BWFCBEDRXUJPJY-XJKSGUPXSA-N 2 2 386.460 0.067 20 0 GCADLP C[C@H](C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573720736 948536596 /nfs/dbraw/zinc/53/65/96/948536596.db2.gz SKUKCPPSNAFRPV-ZDUSSCGKSA-N 2 2 384.488 0.722 20 0 GCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920873 948910594 /nfs/dbraw/zinc/91/05/94/948910594.db2.gz PXKGQHJFVWJKHZ-LBPRGKRZSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574921121 948918353 /nfs/dbraw/zinc/91/83/53/948918353.db2.gz SPQYFDIWAHFEBB-LBPRGKRZSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926932 949032034 /nfs/dbraw/zinc/03/20/34/949032034.db2.gz ZVZDPMQVDLLYMC-CQSZACIVSA-N 2 2 380.456 0.732 20 0 GCADLP C[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926932 949032053 /nfs/dbraw/zinc/03/20/53/949032053.db2.gz ZVZDPMQVDLLYMC-CQSZACIVSA-N 2 2 380.456 0.732 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574711997 949571027 /nfs/dbraw/zinc/57/10/27/949571027.db2.gz PKLUQOULEBTUGY-AAEUAGOBSA-N 2 2 379.490 0.195 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574711997 949571048 /nfs/dbraw/zinc/57/10/48/949571048.db2.gz PKLUQOULEBTUGY-AAEUAGOBSA-N 2 2 379.490 0.195 20 0 GCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574959367 949709677 /nfs/dbraw/zinc/70/96/77/949709677.db2.gz QNZIOGBJHLKZNS-APHBMKBZSA-N 2 2 380.456 0.998 20 0 GCADLP C[C@@H](CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cc[nH+]c1 ZINC001574490418 949995957 /nfs/dbraw/zinc/99/59/57/949995957.db2.gz RGNONSIAINFISQ-LRDDRELGSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@H](CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cc[nH+]c1 ZINC001574490419 949998081 /nfs/dbraw/zinc/99/80/81/949998081.db2.gz RGNONSIAINFISQ-MLGOLLRUSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574492354 950077125 /nfs/dbraw/zinc/07/71/25/950077125.db2.gz AJSKYZOGBIHPJD-HIFRSBDPSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574734232 950133617 /nfs/dbraw/zinc/13/36/17/950133617.db2.gz LASXJVFYRUKXFI-JHJVBQTASA-N 2 2 381.444 0.480 20 0 GCADLP C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574497904 950251257 /nfs/dbraw/zinc/25/12/57/950251257.db2.gz GABLOHOHZZNJEV-NWDGAFQWSA-N 2 2 390.473 0.343 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576203801 950447761 /nfs/dbraw/zinc/44/77/61/950447761.db2.gz JXKCMCPGCGRUDO-CHWSQXEVSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576203801 950447770 /nfs/dbraw/zinc/44/77/70/950447770.db2.gz JXKCMCPGCGRUDO-CHWSQXEVSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576203801 950447779 /nfs/dbraw/zinc/44/77/79/950447779.db2.gz JXKCMCPGCGRUDO-CHWSQXEVSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576203801 950447788 /nfs/dbraw/zinc/44/77/88/950447788.db2.gz JXKCMCPGCGRUDO-CHWSQXEVSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574508521 950484249 /nfs/dbraw/zinc/48/42/49/950484249.db2.gz PCIMTJAYWAJODO-MCIONIFRSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575000024 950588351 /nfs/dbraw/zinc/58/83/51/950588351.db2.gz OHPAPOMFVNEUBF-NSHDSACASA-N 2 2 385.432 0.211 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576207812 950602491 /nfs/dbraw/zinc/60/24/91/950602491.db2.gz JMQSMHBDCGJIRM-SMKXDYDZSA-N 2 2 382.472 0.829 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576207812 950602498 /nfs/dbraw/zinc/60/24/98/950602498.db2.gz JMQSMHBDCGJIRM-SMKXDYDZSA-N 2 2 382.472 0.829 20 0 GCADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575001622 950642727 /nfs/dbraw/zinc/64/27/27/950642727.db2.gz WRVQEOUVJMPKDV-JTQLQIEISA-N 2 2 390.473 0.886 20 0 GCADLP C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574519434 950679999 /nfs/dbraw/zinc/67/99/99/950679999.db2.gz VPSJAESRIXFHEF-MGPQQGTHSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081135 951720157 /nfs/dbraw/zinc/72/01/57/951720157.db2.gz OMPXOGLFVLJOBK-LRDDRELGSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081135 951720160 /nfs/dbraw/zinc/72/01/60/951720160.db2.gz OMPXOGLFVLJOBK-LRDDRELGSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575082252 951732516 /nfs/dbraw/zinc/73/25/16/951732516.db2.gz WQCPDRFEOMHZDA-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089129 951745552 /nfs/dbraw/zinc/74/55/52/951745552.db2.gz DSXVZAMFSYIYHL-GFCCVEGCSA-N 2 2 386.435 0.824 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575091175 951769875 /nfs/dbraw/zinc/76/98/75/951769875.db2.gz PVPJNBZTSSYNQB-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575091177 951770154 /nfs/dbraw/zinc/77/01/54/951770154.db2.gz PVPJNBZTSSYNQB-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102990 951871775 /nfs/dbraw/zinc/87/17/75/951871775.db2.gz PZLCAKNTQCENEK-BLLLJJGKSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102990 951871784 /nfs/dbraw/zinc/87/17/84/951871784.db2.gz PZLCAKNTQCENEK-BLLLJJGKSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575105882 951901056 /nfs/dbraw/zinc/90/10/56/951901056.db2.gz PAWPJGXILRSNAE-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120232 952501623 /nfs/dbraw/zinc/50/16/23/952501623.db2.gz JXKCMCPGCGRUDO-STQMWFEESA-N 2 2 375.502 0.961 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120232 952501627 /nfs/dbraw/zinc/50/16/27/952501627.db2.gz JXKCMCPGCGRUDO-STQMWFEESA-N 2 2 375.502 0.961 20 0 GCADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120232 952501631 /nfs/dbraw/zinc/50/16/31/952501631.db2.gz JXKCMCPGCGRUDO-STQMWFEESA-N 2 2 375.502 0.961 20 0 GCADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120232 952501637 /nfs/dbraw/zinc/50/16/37/952501637.db2.gz JXKCMCPGCGRUDO-STQMWFEESA-N 2 2 375.502 0.961 20 0 GCADLP C[C@@H](CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001571183634 952880786 /nfs/dbraw/zinc/88/07/86/952880786.db2.gz GLXODAFHNSZUOZ-UONOGXRCSA-N 2 2 381.444 0.792 20 0 GCADLP Cc1cc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187867 952909998 /nfs/dbraw/zinc/90/99/98/952909998.db2.gz CKFOQAMCLIHBGY-AAEUAGOBSA-N 2 2 381.444 0.464 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571187757 952910586 /nfs/dbraw/zinc/91/05/86/952910586.db2.gz BRXXXTSPFYNCOO-IAQYHMDHSA-N 2 2 381.444 0.716 20 0 GCADLP Cc1cc(NCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188913 952922096 /nfs/dbraw/zinc/92/20/96/952922096.db2.gz PHWFJORUAOEASS-UHFFFAOYSA-N 2 2 381.444 0.539 20 0 GCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571189266 952926890 /nfs/dbraw/zinc/92/68/90/952926890.db2.gz UHADHKYYQXOPDT-CYBMUJFWSA-N 2 2 381.444 0.669 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571189343 952928399 /nfs/dbraw/zinc/92/83/99/952928399.db2.gz QDBFCRUXSCSPRP-JOCQHMNTSA-N 2 2 381.444 0.499 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571189659 952933612 /nfs/dbraw/zinc/93/36/12/952933612.db2.gz ZQPWZGWZASWIGP-CQSZACIVSA-N 2 2 381.444 0.600 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571212015 953083039 /nfs/dbraw/zinc/08/30/39/953083039.db2.gz HIZKUNFOUCVRLM-SOUVJXGZSA-N 2 2 382.472 0.783 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571212015 953083041 /nfs/dbraw/zinc/08/30/41/953083041.db2.gz HIZKUNFOUCVRLM-SOUVJXGZSA-N 2 2 382.472 0.783 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571241805 953249575 /nfs/dbraw/zinc/24/95/75/953249575.db2.gz MCEQPQBFTNXCDR-OKILXGFUSA-N 2 2 384.419 0.719 20 0 GCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571252061 953322934 /nfs/dbraw/zinc/32/29/34/953322934.db2.gz GHJJVTOJXXUGNM-INIZCTEOSA-N 2 2 384.488 0.961 20 0 GCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571252061 953322940 /nfs/dbraw/zinc/32/29/40/953322940.db2.gz GHJJVTOJXXUGNM-INIZCTEOSA-N 2 2 384.488 0.961 20 0 GCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261631156 530129217 /nfs/dbraw/zinc/12/92/17/530129217.db2.gz BUXLVSYKNIWKRM-KRWDZBQOSA-N 2 2 397.317 0.903 20 0 GCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nnnn1-c1ccccc1Br ZINC000647836010 530137035 /nfs/dbraw/zinc/13/70/35/530137035.db2.gz YKUKXUFSMMWHEH-UHFFFAOYSA-N 2 2 380.294 0.762 20 0 GCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nnnn1-c1ccccc1Br ZINC000647836010 530137038 /nfs/dbraw/zinc/13/70/38/530137038.db2.gz YKUKXUFSMMWHEH-UHFFFAOYSA-N 2 2 380.294 0.762 20 0 GCADLP C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584230468 530205940 /nfs/dbraw/zinc/20/59/40/530205940.db2.gz HIKIDYVHRQIEHC-ZJUUUORDSA-N 2 2 389.319 0.730 20 0 GCADLP C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584230468 530205941 /nfs/dbraw/zinc/20/59/41/530205941.db2.gz HIKIDYVHRQIEHC-ZJUUUORDSA-N 2 2 389.319 0.730 20 0 GCADLP CN(C(=O)c1sccc1S(N)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617692 530260648 /nfs/dbraw/zinc/26/06/48/530260648.db2.gz KYERVUQXAXRUCS-CYBMUJFWSA-N 2 2 386.543 0.636 20 0 GCADLP CN(C(=O)c1sccc1S(N)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617692 530260649 /nfs/dbraw/zinc/26/06/49/530260649.db2.gz KYERVUQXAXRUCS-CYBMUJFWSA-N 2 2 386.543 0.636 20 0 GCADLP [NH3+]CC(=O)NCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000574915073 530328414 /nfs/dbraw/zinc/32/84/14/530328414.db2.gz ASSLPUPNILUXGH-UHFFFAOYSA-N 2 2 394.273 0.749 20 0 GCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000644550551 530358417 /nfs/dbraw/zinc/35/84/17/530358417.db2.gz KFUBPAKERMYPEB-QGZVFWFLSA-N 2 2 387.571 0.448 20 0 GCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000644550551 530358420 /nfs/dbraw/zinc/35/84/20/530358420.db2.gz KFUBPAKERMYPEB-QGZVFWFLSA-N 2 2 387.571 0.448 20 0 GCADLP C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177157042 530361850 /nfs/dbraw/zinc/36/18/50/530361850.db2.gz AJXOBPFFOGSPDD-CYBMUJFWSA-N 2 2 388.559 0.557 20 0 GCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000497293638 530380375 /nfs/dbraw/zinc/38/03/75/530380375.db2.gz MNHGVBKZPSKKFZ-OAHLLOKOSA-N 2 2 375.535 0.147 20 0 GCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCn2cc(Br)cn2)CC1 ZINC000288084440 530414295 /nfs/dbraw/zinc/41/42/95/530414295.db2.gz VZOPUKMDPONUGI-UHFFFAOYSA-N 2 2 387.326 0.971 20 0 GCADLP CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594803464 530439293 /nfs/dbraw/zinc/43/92/93/530439293.db2.gz OAKVECVTGRNBTB-LSDHHAIUSA-N 2 2 378.539 0.120 20 0 GCADLP CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594803464 530439294 /nfs/dbraw/zinc/43/92/94/530439294.db2.gz OAKVECVTGRNBTB-LSDHHAIUSA-N 2 2 378.539 0.120 20 0 GCADLP CN(C(=O)c1csc(S(N)(=O)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365231240 530497478 /nfs/dbraw/zinc/49/74/78/530497478.db2.gz WKUVOSFDZBHJNK-AWEZNQCLSA-N 2 2 386.543 0.636 20 0 GCADLP CN(C(=O)c1csc(S(N)(=O)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365231240 530497479 /nfs/dbraw/zinc/49/74/79/530497479.db2.gz WKUVOSFDZBHJNK-AWEZNQCLSA-N 2 2 386.543 0.636 20 0 GCADLP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000521437026 530486206 /nfs/dbraw/zinc/48/62/06/530486206.db2.gz JCTOXFIGBNZQNP-OCCSQVGLSA-N 2 2 383.290 0.762 20 0 GCADLP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000521437026 530486209 /nfs/dbraw/zinc/48/62/09/530486209.db2.gz JCTOXFIGBNZQNP-OCCSQVGLSA-N 2 2 383.290 0.762 20 0 GCADLP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000521437025 530486376 /nfs/dbraw/zinc/48/63/76/530486376.db2.gz JCTOXFIGBNZQNP-JSGCOSHPSA-N 2 2 383.290 0.762 20 0 GCADLP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000521437025 530486378 /nfs/dbraw/zinc/48/63/78/530486378.db2.gz JCTOXFIGBNZQNP-JSGCOSHPSA-N 2 2 383.290 0.762 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417230179 530515939 /nfs/dbraw/zinc/51/59/39/530515939.db2.gz YNODAKWGZHFCKL-CYBMUJFWSA-N 2 2 381.278 0.800 20 0 GCADLP O=C(NCCN1CC[NH2+]CC1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417215292 530516131 /nfs/dbraw/zinc/51/61/31/530516131.db2.gz IGGRLRIEEVBSIC-UHFFFAOYSA-N 2 2 381.278 0.801 20 0 GCADLP C[N@@H+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H](C[NH3+])C1 ZINC000567899767 530550035 /nfs/dbraw/zinc/55/00/35/530550035.db2.gz UNPWHHVKXMNSIF-GFCCVEGCSA-N 2 2 384.274 0.864 20 0 GCADLP C[N@H+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H](C[NH3+])C1 ZINC000567899767 530550038 /nfs/dbraw/zinc/55/00/38/530550038.db2.gz UNPWHHVKXMNSIF-GFCCVEGCSA-N 2 2 384.274 0.864 20 0 GCADLP C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000567892469 530550079 /nfs/dbraw/zinc/55/00/79/530550079.db2.gz AHDVXKQDHWATFS-SNVBAGLBSA-N 2 2 395.312 0.373 20 0 GCADLP C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000567892469 530550082 /nfs/dbraw/zinc/55/00/82/530550082.db2.gz AHDVXKQDHWATFS-SNVBAGLBSA-N 2 2 395.312 0.373 20 0 GCADLP CN(CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)s1 ZINC000573719494 530582883 /nfs/dbraw/zinc/58/28/83/530582883.db2.gz SPMCAFXPOTZWPL-SNVBAGLBSA-N 2 2 380.923 0.123 20 0 GCADLP CN(CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)s1 ZINC000573719494 530582888 /nfs/dbraw/zinc/58/28/88/530582888.db2.gz SPMCAFXPOTZWPL-SNVBAGLBSA-N 2 2 380.923 0.123 20 0 GCADLP C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000568646404 530561960 /nfs/dbraw/zinc/56/19/60/530561960.db2.gz FQOLYCUUJDCFLV-INIZCTEOSA-N 2 2 375.535 0.224 20 0 GCADLP C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000568646404 530561963 /nfs/dbraw/zinc/56/19/63/530561963.db2.gz FQOLYCUUJDCFLV-INIZCTEOSA-N 2 2 375.535 0.224 20 0 GCADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000573091806 530575107 /nfs/dbraw/zinc/57/51/07/530575107.db2.gz DDQHADLYISOOQA-AWEZNQCLSA-N 2 2 398.305 0.463 20 0 GCADLP C[N@H+]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000573091806 530575109 /nfs/dbraw/zinc/57/51/09/530575109.db2.gz DDQHADLYISOOQA-AWEZNQCLSA-N 2 2 398.305 0.463 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053270 530586401 /nfs/dbraw/zinc/58/64/01/530586401.db2.gz ARABTGVPTMKPTK-TZMCWYRMSA-N 2 2 385.295 0.896 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053270 530586403 /nfs/dbraw/zinc/58/64/03/530586403.db2.gz ARABTGVPTMKPTK-TZMCWYRMSA-N 2 2 385.295 0.896 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000574071933 530587022 /nfs/dbraw/zinc/58/70/22/530587022.db2.gz OHRMDRFJNIVVPA-MCIONIFRSA-N 2 2 377.532 0.086 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@H](C)O1 ZINC000577842866 530625335 /nfs/dbraw/zinc/62/53/35/530625335.db2.gz JRGKBEJQBDLZDV-QKPAOTATSA-N 2 2 375.535 0.003 20 0 GCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@H](C)O1 ZINC000577842866 530625336 /nfs/dbraw/zinc/62/53/36/530625336.db2.gz JRGKBEJQBDLZDV-QKPAOTATSA-N 2 2 375.535 0.003 20 0 GCADLP CCC[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000463861087 530659814 /nfs/dbraw/zinc/65/98/14/530659814.db2.gz ULFXPBYZXFGGAN-KRWDZBQOSA-N 2 2 377.551 0.471 20 0 GCADLP CCC[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000463861087 530659817 /nfs/dbraw/zinc/65/98/17/530659817.db2.gz ULFXPBYZXFGGAN-KRWDZBQOSA-N 2 2 377.551 0.471 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)N(CC[NH3+])CCO)[nH+]c12 ZINC000418018280 530683192 /nfs/dbraw/zinc/68/31/92/530683192.db2.gz IKRVSUXMMSALIT-UHFFFAOYSA-N 2 2 384.278 0.910 20 0 GCADLP CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767377 530664687 /nfs/dbraw/zinc/66/46/87/530664687.db2.gz RIPGJOIDUAHUFX-MRXNPFEDSA-N 2 2 376.567 0.580 20 0 GCADLP CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767377 530664690 /nfs/dbraw/zinc/66/46/90/530664690.db2.gz RIPGJOIDUAHUFX-MRXNPFEDSA-N 2 2 376.567 0.580 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@H](C[NH3+])C1 ZINC000579350933 530741677 /nfs/dbraw/zinc/74/16/77/530741677.db2.gz ABEWDJDCIUINMO-HUUCEWRRSA-N 2 2 395.301 0.903 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cc(Br)ccc3=O)C2)CC1 ZINC000369274016 530730784 /nfs/dbraw/zinc/73/07/84/530730784.db2.gz LTHCULWBUKFUIG-CQSZACIVSA-N 2 2 397.317 0.896 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cc(Br)ccc3=O)C2)CC1 ZINC000369274016 530730786 /nfs/dbraw/zinc/73/07/86/530730786.db2.gz LTHCULWBUKFUIG-CQSZACIVSA-N 2 2 397.317 0.896 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cc(Br)ccc3=O)C2)CC1 ZINC000369274015 530731098 /nfs/dbraw/zinc/73/10/98/530731098.db2.gz LTHCULWBUKFUIG-AWEZNQCLSA-N 2 2 397.317 0.896 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cc(Br)ccc3=O)C2)CC1 ZINC000369274015 530731099 /nfs/dbraw/zinc/73/10/99/530731099.db2.gz LTHCULWBUKFUIG-AWEZNQCLSA-N 2 2 397.317 0.896 20 0 GCADLP C[N@H+](CCNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000485531067 530799318 /nfs/dbraw/zinc/79/93/18/530799318.db2.gz JIGHYVYBKZKPGI-UHFFFAOYSA-N 2 2 394.273 0.923 20 0 GCADLP C[N@@H+](CCNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000485531067 530799319 /nfs/dbraw/zinc/79/93/19/530799319.db2.gz JIGHYVYBKZKPGI-UHFFFAOYSA-N 2 2 394.273 0.923 20 0 GCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000376949366 530820255 /nfs/dbraw/zinc/82/02/55/530820255.db2.gz OGIRSONNKOKPOV-BRWVUGGUSA-N 2 2 375.535 0.222 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[C@@H](C[NH3+])C1 ZINC000582903924 530856055 /nfs/dbraw/zinc/85/60/55/530856055.db2.gz RMVRGFRGOQDQGJ-QWHCGFSZSA-N 2 2 395.301 0.903 20 0 GCADLP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000583018809 530857061 /nfs/dbraw/zinc/85/70/61/530857061.db2.gz WRAQPGGWPNBEMA-VIFPVBQESA-N 2 2 395.312 0.723 20 0 GCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000583018808 530857584 /nfs/dbraw/zinc/85/75/84/530857584.db2.gz WRAQPGGWPNBEMA-SECBINFHSA-N 2 2 395.312 0.723 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000653057814 530861928 /nfs/dbraw/zinc/86/19/28/530861928.db2.gz RCUYGYAVWBEMLA-OAHLLOKOSA-N 2 2 388.921 0.452 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000653058095 530862029 /nfs/dbraw/zinc/86/20/29/530862029.db2.gz DMIIPDRLUYUZKZ-HNNXBMFYSA-N 2 2 388.921 0.452 20 0 GCADLP C[NH+](C)CCCN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000501497404 530869226 /nfs/dbraw/zinc/86/92/26/530869226.db2.gz UVEAROCNVGYHAX-GJZGRUSLSA-N 2 2 377.576 0.391 20 0 GCADLP C[NH+](C)CCCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000501497404 530869227 /nfs/dbraw/zinc/86/92/27/530869227.db2.gz UVEAROCNVGYHAX-GJZGRUSLSA-N 2 2 377.576 0.391 20 0 GCADLP CC[C@@H](C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000656379892 530841245 /nfs/dbraw/zinc/84/12/45/530841245.db2.gz MOMRAFPLOYXIGH-CYBMUJFWSA-N 2 2 393.535 0.287 20 0 GCADLP CC[NH+](CC)CCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000503460736 530881537 /nfs/dbraw/zinc/88/15/37/530881537.db2.gz KNEQLKSLCJAPKX-CVEARBPZSA-N 2 2 391.603 0.781 20 0 GCADLP CC[NH+](CC)CCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000503460736 530881538 /nfs/dbraw/zinc/88/15/38/530881538.db2.gz KNEQLKSLCJAPKX-CVEARBPZSA-N 2 2 391.603 0.781 20 0 GCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419890140 530963998 /nfs/dbraw/zinc/96/39/98/530963998.db2.gz HWJSWJJRQNQKNB-NSHDSACASA-N 2 2 380.246 0.581 20 0 GCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419936003 530964142 /nfs/dbraw/zinc/96/41/42/530964142.db2.gz KGJHSRQFDOBCHZ-GFCCVEGCSA-N 2 2 394.273 0.971 20 0 GCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420007201 530964542 /nfs/dbraw/zinc/96/45/42/530964542.db2.gz ZCWDVFQMPLTEIT-LBPRGKRZSA-N 2 2 394.273 0.971 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000420067818 530965397 /nfs/dbraw/zinc/96/53/97/530965397.db2.gz TYNVJHILEBSEEJ-LBPRGKRZSA-N 2 2 380.246 0.567 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419041920 530953268 /nfs/dbraw/zinc/95/32/68/530953268.db2.gz KTQKQWXNZIUPLP-UHFFFAOYSA-N 2 2 382.262 0.747 20 0 GCADLP C[NH2+][C@H](C)CNC(=O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419046591 530953535 /nfs/dbraw/zinc/95/35/35/530953535.db2.gz VYKWWYACWQDFCE-LLVKDONJSA-N 2 2 396.289 0.788 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419042229 530953589 /nfs/dbraw/zinc/95/35/89/530953589.db2.gz LISRSHPOCMMUJQ-SNVBAGLBSA-N 2 2 396.289 0.993 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[nH+]c12 ZINC000419042508 530953699 /nfs/dbraw/zinc/95/36/99/530953699.db2.gz LPGAFCDRFZGOTM-NSHDSACASA-N 2 2 396.289 0.870 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)[nH+]c12 ZINC000419047719 530953874 /nfs/dbraw/zinc/95/38/74/530953874.db2.gz YRJFKIOUMWPZSL-LBPRGKRZSA-N 2 2 394.273 0.890 20 0 GCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420161588 530966057 /nfs/dbraw/zinc/96/60/57/530966057.db2.gz JWSYJMOHRUHASV-GXFFZTMASA-N 2 2 394.273 0.970 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350302 530967661 /nfs/dbraw/zinc/96/76/61/530967661.db2.gz GLJKOSRTXFGSTR-CABZTGNLSA-N 2 2 377.226 0.870 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350302 530967662 /nfs/dbraw/zinc/96/76/62/530967662.db2.gz GLJKOSRTXFGSTR-CABZTGNLSA-N 2 2 377.226 0.870 20 0 GCADLP CCS(=O)(=O)NCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538046561 531029852 /nfs/dbraw/zinc/02/98/52/531029852.db2.gz YLJLXUPRRZMDDJ-HZPDHXFCSA-N 2 2 377.551 0.516 20 0 GCADLP CS[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@H]1[NH+]1CCCC1 ZINC000614987224 531088406 /nfs/dbraw/zinc/08/84/06/531088406.db2.gz JDKZRAZERSPMIF-HZPDHXFCSA-N 2 2 377.576 0.550 20 0 GCADLP C[C@@H](C(=O)NCCN(C)C(=O)[C@H](C)[NH+]1CCSCC1)[NH+]1CCSCC1 ZINC000438360883 531153931 /nfs/dbraw/zinc/15/39/31/531153931.db2.gz DKFQFKLMVYTCBG-GJZGRUSLSA-N 2 2 388.603 0.436 20 0 GCADLP COCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000442890619 531190712 /nfs/dbraw/zinc/19/07/12/531190712.db2.gz PHVRLZVVNVFKOR-UHFFFAOYSA-N 2 2 377.457 0.944 20 0 GCADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000359928574 209203184 /nfs/dbraw/zinc/20/31/84/209203184.db2.gz VKFYRKZXABXSJN-QGZVFWFLSA-N 2 2 380.533 0.498 20 0 GCADLP C[NH+]1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)([NH+]2CCCCC2)CC1 ZINC000736847540 599231202 /nfs/dbraw/zinc/23/12/02/599231202.db2.gz HAMPRWSKDXYEQG-UHFFFAOYSA-N 2 2 384.488 0.942 20 0 GCADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cn1 ZINC000737500047 598524844 /nfs/dbraw/zinc/52/48/44/598524844.db2.gz CBLUIHOABAKWHD-AWEZNQCLSA-N 2 2 391.443 0.784 20 0 GCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cn2)CC1 ZINC000821628982 606796773 /nfs/dbraw/zinc/79/67/73/606796773.db2.gz VWKVMRDPWDKIKJ-UHFFFAOYSA-N 2 2 383.435 0.837 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822997633 606893965 /nfs/dbraw/zinc/89/39/65/606893965.db2.gz TWSVPMDURQEQJU-UHFFFAOYSA-N 2 2 399.499 0.876 20 0 GCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1-c1nn[nH]n1 ZINC000826073263 608020347 /nfs/dbraw/zinc/02/03/47/608020347.db2.gz LXYWWSFUURROMF-HNNXBMFYSA-N 2 2 397.487 0.853 20 0 GCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000826506020 608382924 /nfs/dbraw/zinc/38/29/24/608382924.db2.gz KZTCDSVNVRFFPD-UHFFFAOYSA-N 2 2 376.436 0.665 20 0 GCADLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562067 608484238 /nfs/dbraw/zinc/48/42/38/608484238.db2.gz CKWWQMZJGLUUJX-CQSZACIVSA-N 2 2 387.488 0.744 20 0 GCADLP CN(C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000826022600 609228361 /nfs/dbraw/zinc/22/83/61/609228361.db2.gz OVGOPYRPRGCNEB-ROUUACIJSA-N 2 2 399.499 0.527 20 0 GCADLP CN(C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000826022600 609228362 /nfs/dbraw/zinc/22/83/62/609228362.db2.gz OVGOPYRPRGCNEB-ROUUACIJSA-N 2 2 399.499 0.527 20 0 GCADLP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702525 639521490 /nfs/dbraw/zinc/52/14/90/639521490.db2.gz MJSBIQNEYYWEBB-AWEZNQCLSA-N 2 2 385.262 0.006 20 0 GCADLP CC1(CO)CC[NH+](CCS(=O)(=O)CC[NH+]2CCC(C)(CO)CC2)CC1 ZINC000186963827 640122713 /nfs/dbraw/zinc/12/27/13/640122713.db2.gz USBJEAABWBTVAK-UHFFFAOYSA-N 2 2 376.563 0.590 20 0 GCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CS[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000870667017 641442769 /nfs/dbraw/zinc/44/27/69/641442769.db2.gz BQXMOSTVLQUVKV-AWEZNQCLSA-N 2 2 384.527 0.692 20 0 GCADLP CC[C@@]1(O)CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@](O)(CC)C2)C1 ZINC000879312627 641610800 /nfs/dbraw/zinc/61/08/00/641610800.db2.gz SNPZXUCCGQYVJP-QZTJIDSGSA-N 2 2 376.563 0.875 20 0 GCADLP CC[C@@]1(O)CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@](O)(CC)C2)C1 ZINC000879312627 641610801 /nfs/dbraw/zinc/61/08/01/641610801.db2.gz SNPZXUCCGQYVJP-QZTJIDSGSA-N 2 2 376.563 0.875 20 0 GCADLP C[S@](=N)(=O)N1CC[NH+](CCCCC[NH+]2CCN([S@@](C)(=N)=O)CC2)CC1 ZINC000879944319 641622869 /nfs/dbraw/zinc/62/28/69/641622869.db2.gz COAWFDOBPKYFCZ-JWQCQUIFSA-N 2 2 394.611 0.575 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000806474997 641648133 /nfs/dbraw/zinc/64/81/33/641648133.db2.gz KHSMJTSRTIWSAO-HNNXBMFYSA-N 2 2 388.603 0.436 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000806474997 641648140 /nfs/dbraw/zinc/64/81/40/641648140.db2.gz KHSMJTSRTIWSAO-HNNXBMFYSA-N 2 2 388.603 0.436 20 0 GCADLP O=S(=O)(N1CCC(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1)C(F)(F)F ZINC000817890649 641891466 /nfs/dbraw/zinc/89/14/66/641891466.db2.gz WABZAJZUIXMBBH-KGLIPLIRSA-N 2 2 385.452 0.905 20 0 GCADLP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@H](O)C[NH+]1CCCC1 ZINC000832555375 642191918 /nfs/dbraw/zinc/19/19/18/642191918.db2.gz NDPGYMZDCZYIEC-ZDUSSCGKSA-N 2 2 375.466 0.240 20 0 GCADLP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@H](O)C[NH+]1CCCC1 ZINC000832555375 642191923 /nfs/dbraw/zinc/19/19/23/642191923.db2.gz NDPGYMZDCZYIEC-ZDUSSCGKSA-N 2 2 375.466 0.240 20 0 GCADLP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000841229094 642291820 /nfs/dbraw/zinc/29/18/20/642291820.db2.gz IKPHPTURUUGSBJ-NSHDSACASA-N 2 2 398.305 0.603 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350445 1192200793 /nfs/dbraw/zinc/20/07/93/1192200793.db2.gz ZKUMMEXWFLPHGA-KSSFIOAISA-N 2 2 380.514 0.936 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350445 1192200797 /nfs/dbraw/zinc/20/07/97/1192200797.db2.gz ZKUMMEXWFLPHGA-KSSFIOAISA-N 2 2 380.514 0.936 20 0 GCADLP Cc1nnc2n1C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000613862248 1192210642 /nfs/dbraw/zinc/21/06/42/1192210642.db2.gz OPQIHEUVFAICOA-SJLPKXTDSA-N 2 2 389.548 0.959 20 0 GCADLP Cc1nnc2n1C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000613862248 1192210645 /nfs/dbraw/zinc/21/06/45/1192210645.db2.gz OPQIHEUVFAICOA-SJLPKXTDSA-N 2 2 389.548 0.959 20 0 GCADLP Cc1nnc2n1C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000613862249 1192210724 /nfs/dbraw/zinc/21/07/24/1192210724.db2.gz OPQIHEUVFAICOA-WMZOPIPTSA-N 2 2 389.548 0.959 20 0 GCADLP Cc1nnc2n1C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000613862249 1192210728 /nfs/dbraw/zinc/21/07/28/1192210728.db2.gz OPQIHEUVFAICOA-WMZOPIPTSA-N 2 2 389.548 0.959 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152692 1192248061 /nfs/dbraw/zinc/24/80/61/1192248061.db2.gz XRKXTABXPRSPPR-IEBWSBKVSA-N 2 2 387.528 0.650 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152692 1192248064 /nfs/dbraw/zinc/24/80/64/1192248064.db2.gz XRKXTABXPRSPPR-IEBWSBKVSA-N 2 2 387.528 0.650 20 0 GCADLP Cc1ncc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000636707045 1192274269 /nfs/dbraw/zinc/27/42/69/1192274269.db2.gz IYICUOBIUPSUMB-TZMCWYRMSA-N 2 2 379.530 0.913 20 0 GCADLP Cc1ncc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000636707045 1192274273 /nfs/dbraw/zinc/27/42/73/1192274273.db2.gz IYICUOBIUPSUMB-TZMCWYRMSA-N 2 2 379.530 0.913 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000662287195 1192277127 /nfs/dbraw/zinc/27/71/27/1192277127.db2.gz SSXHNEMHLKNOIT-UHFFFAOYSA-N 2 2 380.920 0.688 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C[NH2+]C(C)C)cc2)CC1 ZINC000662442739 1192295926 /nfs/dbraw/zinc/29/59/26/1192295926.db2.gz SJSQMAQGPJQKDC-UHFFFAOYSA-N 2 2 390.528 0.886 20 0 GCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655543 1192323207 /nfs/dbraw/zinc/32/32/07/1192323207.db2.gz IZAORMGFAHVOAV-PMACEKPBSA-N 2 2 383.496 0.734 20 0 GCADLP C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000636834467 1192324924 /nfs/dbraw/zinc/32/49/24/1192324924.db2.gz QRZVLCAFVLNKBP-QRQLOZEOSA-N 2 2 376.501 0.642 20 0 GCADLP C[C@@H](NC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636834467 1192324928 /nfs/dbraw/zinc/32/49/28/1192324928.db2.gz QRZVLCAFVLNKBP-QRQLOZEOSA-N 2 2 376.501 0.642 20 0 GCADLP C[C@@H](NC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636834467 1192324933 /nfs/dbraw/zinc/32/49/33/1192324933.db2.gz QRZVLCAFVLNKBP-QRQLOZEOSA-N 2 2 376.501 0.642 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000604166447 1192346363 /nfs/dbraw/zinc/34/63/63/1192346363.db2.gz WAASDVWMGBLBRC-QGZVFWFLSA-N 2 2 377.533 0.855 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000604166447 1192346369 /nfs/dbraw/zinc/34/63/69/1192346369.db2.gz WAASDVWMGBLBRC-QGZVFWFLSA-N 2 2 377.533 0.855 20 0 GCADLP CN(C(=O)CSCC(=O)N1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365231548 1192377351 /nfs/dbraw/zinc/37/73/51/1192377351.db2.gz XHHAKSUSSGGPOZ-KRWDZBQOSA-N 2 2 398.573 0.205 20 0 GCADLP CN(C(=O)CSCC(=O)N1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365231548 1192377357 /nfs/dbraw/zinc/37/73/57/1192377357.db2.gz XHHAKSUSSGGPOZ-KRWDZBQOSA-N 2 2 398.573 0.205 20 0 GCADLP C[C@@H](CNc1cnc(NC[C@H](C)N2CC[NH+](C)CC2)cn1)N1CC[NH+](C)CC1 ZINC000663527949 1192376161 /nfs/dbraw/zinc/37/61/61/1192376161.db2.gz BEBMMXDNFARADX-ROUUACIJSA-N 2 2 390.580 0.572 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@H](C)CO1 ZINC000663546526 1192383412 /nfs/dbraw/zinc/38/34/12/1192383412.db2.gz NVXWHKIQPMYCBP-IAGOWNOFSA-N 2 2 390.532 0.742 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@H](C)CO1 ZINC000663546526 1192383416 /nfs/dbraw/zinc/38/34/16/1192383416.db2.gz NVXWHKIQPMYCBP-IAGOWNOFSA-N 2 2 390.532 0.742 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663612440 1192416037 /nfs/dbraw/zinc/41/60/37/1192416037.db2.gz SIIVXGNAFWCDSK-HXUWFJFHSA-N 2 2 387.484 0.157 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000663664803 1192466701 /nfs/dbraw/zinc/46/67/01/1192466701.db2.gz VCDYQUSKKNYLEV-IAGOWNOFSA-N 2 2 393.532 0.139 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000279251447 1192493750 /nfs/dbraw/zinc/49/37/50/1192493750.db2.gz PLNVSQSDSAGLIX-QGZVFWFLSA-N 2 2 390.532 0.696 20 0 GCADLP CN(C)S(=O)(=O)c1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000663724682 1192515243 /nfs/dbraw/zinc/51/52/43/1192515243.db2.gz UMVONPOWAZZIFC-UHFFFAOYSA-N 2 2 399.561 0.620 20 0 GCADLP CN(C)S(=O)(=O)c1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000663724682 1192515249 /nfs/dbraw/zinc/51/52/49/1192515249.db2.gz UMVONPOWAZZIFC-UHFFFAOYSA-N 2 2 399.561 0.620 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000279449555 1192542092 /nfs/dbraw/zinc/54/20/92/1192542092.db2.gz KPPPPNVJKKUUFK-KRWDZBQOSA-N 2 2 390.532 0.696 20 0 GCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000509739229 1192610078 /nfs/dbraw/zinc/61/00/78/1192610078.db2.gz SNNCSGHXGPPIET-INIZCTEOSA-N 2 2 379.505 0.286 20 0 GCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000509739229 1192610080 /nfs/dbraw/zinc/61/00/80/1192610080.db2.gz SNNCSGHXGPPIET-INIZCTEOSA-N 2 2 379.505 0.286 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418765347 1192640592 /nfs/dbraw/zinc/64/05/92/1192640592.db2.gz OQTHRBUMTOSLHD-AZUAARDMSA-N 2 2 389.544 0.823 20 0 GCADLP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827846 1192657869 /nfs/dbraw/zinc/65/78/69/1192657869.db2.gz HIMPOOJYKUDHNQ-WOJBJXKFSA-N 2 2 396.491 0.820 20 0 GCADLP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827846 1192657871 /nfs/dbraw/zinc/65/78/71/1192657871.db2.gz HIMPOOJYKUDHNQ-WOJBJXKFSA-N 2 2 396.491 0.820 20 0 GCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418836320 1192658009 /nfs/dbraw/zinc/65/80/09/1192658009.db2.gz RDNOBYXQCSQLEC-OALUTQOASA-N 2 2 388.512 0.462 20 0 GCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418836320 1192658014 /nfs/dbraw/zinc/65/80/14/1192658014.db2.gz RDNOBYXQCSQLEC-OALUTQOASA-N 2 2 388.512 0.462 20 0 GCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000418831611 1192659292 /nfs/dbraw/zinc/65/92/92/1192659292.db2.gz LHNJIXMDUXDRFN-LPHOPBHVSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000418831611 1192659293 /nfs/dbraw/zinc/65/92/93/1192659293.db2.gz LHNJIXMDUXDRFN-LPHOPBHVSA-N 2 2 388.512 0.589 20 0 GCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]1CCCC1 ZINC000418831402 1192659322 /nfs/dbraw/zinc/65/93/22/1192659322.db2.gz GGINULBNZSNXPM-AWEZNQCLSA-N 2 2 384.427 0.659 20 0 GCADLP COc1ccc([C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+](C)C)cc1OC ZINC000418836952 1192661498 /nfs/dbraw/zinc/66/14/98/1192661498.db2.gz SFJWMYNSDWIKSE-LBPRGKRZSA-N 2 2 388.415 0.133 20 0 GCADLP C[NH+](C)[C@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC000663825683 1192661802 /nfs/dbraw/zinc/66/18/02/1192661802.db2.gz LOVLFFQDVDZRSG-OALUTQOASA-N 2 2 392.500 0.214 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C[NH3+] ZINC000418840478 1192663444 /nfs/dbraw/zinc/66/34/44/1192663444.db2.gz XRRWYBZAGVKKRX-BHIYHBOVSA-N 2 2 388.512 0.447 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C[NH3+] ZINC000418840478 1192663446 /nfs/dbraw/zinc/66/34/46/1192663446.db2.gz XRRWYBZAGVKKRX-BHIYHBOVSA-N 2 2 388.512 0.447 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000418882188 1192677956 /nfs/dbraw/zinc/67/79/56/1192677956.db2.gz YJSJGEUGVOFSQR-CZUORRHYSA-N 2 2 382.892 0.635 20 0 GCADLP COc1cccc([C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]2CCCC2)c1 ZINC000418881291 1192678283 /nfs/dbraw/zinc/67/82/83/1192678283.db2.gz WYIVKHPKIYERBG-HNNXBMFYSA-N 2 2 384.427 0.659 20 0 GCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418903485 1192684998 /nfs/dbraw/zinc/68/49/98/1192684998.db2.gz BHUKLTCTBUMWIW-APWZRJJASA-N 2 2 388.512 0.863 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418903558 1192685196 /nfs/dbraw/zinc/68/51/96/1192685196.db2.gz BNUPXHOJPBNGLC-WMZOPIPTSA-N 2 2 388.512 0.721 20 0 GCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418913077 1192689354 /nfs/dbraw/zinc/68/93/54/1192689354.db2.gz NKAXZYPMGBXNDL-MOPGFXCFSA-N 2 2 386.496 0.488 20 0 GCADLP [NH3+][C@@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000418912798 1192689392 /nfs/dbraw/zinc/68/93/92/1192689392.db2.gz NBPWYIGDHWTHRG-FQEVSTJZSA-N 2 2 396.491 0.951 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000418919898 1192691302 /nfs/dbraw/zinc/69/13/02/1192691302.db2.gz XVLLVRRUBSWHNB-VQIMIIECSA-N 2 2 388.512 0.578 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000419041632 1192739312 /nfs/dbraw/zinc/73/93/12/1192739312.db2.gz ODJJBUCYBYUMTJ-KRWDZBQOSA-N 2 2 388.516 0.779 20 0 GCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238031476 1192778239 /nfs/dbraw/zinc/77/82/39/1192778239.db2.gz ZUNFRWSKXCWXRU-UHFFFAOYSA-N 2 2 384.484 0.965 20 0 GCADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000728926011 1192782289 /nfs/dbraw/zinc/78/22/89/1192782289.db2.gz UDAIYKJVQSNIDM-LBPRGKRZSA-N 2 2 395.529 0.564 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000419108485 1192789191 /nfs/dbraw/zinc/78/91/91/1192789191.db2.gz GKOWRAKRKSHJQE-UHFFFAOYSA-N 2 2 389.500 0.322 20 0 GCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419119817 1192794162 /nfs/dbraw/zinc/79/41/62/1192794162.db2.gz PHVBJDZAKMVHFK-KSZLIROESA-N 2 2 380.533 0.593 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000419123397 1192795442 /nfs/dbraw/zinc/79/54/42/1192795442.db2.gz VVCUPXGMMBBNKJ-QZTJIDSGSA-N 2 2 382.549 0.840 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000419124498 1192796199 /nfs/dbraw/zinc/79/61/99/1192796199.db2.gz XKAVLUKVFVLDQG-ROUUACIJSA-N 2 2 376.501 0.666 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000419115061 1192800101 /nfs/dbraw/zinc/80/01/01/1192800101.db2.gz JBYSTOXASHNQNO-QGZVFWFLSA-N 2 2 380.533 0.452 20 0 GCADLP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)[NH+]1CCOCC1 ZINC000419117305 1192801562 /nfs/dbraw/zinc/80/15/62/1192801562.db2.gz MEIDQALFVTZVMH-OIISXLGYSA-N 2 2 398.548 0.469 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000419117273 1192801919 /nfs/dbraw/zinc/80/19/19/1192801919.db2.gz MCFAMEYOKHTIMK-QZTJIDSGSA-N 2 2 380.533 0.450 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000419116807 1192802130 /nfs/dbraw/zinc/80/21/30/1192802130.db2.gz LMZNJRMZHWJFLL-IBGZPJMESA-N 2 2 390.528 0.837 20 0 GCADLP COCCOC[C@@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894017492 1192891549 /nfs/dbraw/zinc/89/15/49/1192891549.db2.gz IISXSALXDLJWDC-SJORKVTESA-N 2 2 393.532 0.474 20 0 GCADLP COCCOC[C@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894017489 1192891955 /nfs/dbraw/zinc/89/19/55/1192891955.db2.gz IISXSALXDLJWDC-DLBZAZTESA-N 2 2 393.532 0.474 20 0 GCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC000410774820 1192900521 /nfs/dbraw/zinc/90/05/21/1192900521.db2.gz JASMIPANEFVIIM-ROUUACIJSA-N 2 2 382.549 0.743 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)C[C@@H](C)O1 ZINC000419217291 1192915401 /nfs/dbraw/zinc/91/54/01/1192915401.db2.gz QIIYTVCHGFEHGM-ZIAGYGMSSA-N 2 2 398.454 0.622 20 0 GCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC[N@@H+]1CCOC ZINC000410922118 1192915514 /nfs/dbraw/zinc/91/55/14/1192915514.db2.gz BNWGOZVPNKRUSQ-ROUUACIJSA-N 2 2 378.517 0.418 20 0 GCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC[N@H+]1CCOC ZINC000410922118 1192915515 /nfs/dbraw/zinc/91/55/15/1192915515.db2.gz BNWGOZVPNKRUSQ-ROUUACIJSA-N 2 2 378.517 0.418 20 0 GCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(OC)c1 ZINC000579729645 1184116655 /nfs/dbraw/zinc/11/66/55/1184116655.db2.gz WSQODXQUOOEJEA-HNNXBMFYSA-N 2 2 390.440 0.767 20 0 GCADLP CN(C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1)S(C)(=O)=O ZINC000274653126 1184150361 /nfs/dbraw/zinc/15/03/61/1184150361.db2.gz NQEPNWFZDZVFAQ-GOSISDBHSA-N 2 2 396.557 0.761 20 0 GCADLP CN(C(=O)CC1CCOCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000117254654 1184240294 /nfs/dbraw/zinc/24/02/94/1184240294.db2.gz SLPJAXOHJRUJEP-UHFFFAOYSA-N 2 2 380.533 0.500 20 0 GCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000579813492 1184242179 /nfs/dbraw/zinc/24/21/79/1184242179.db2.gz UYBDLPDTSUURNJ-HNNXBMFYSA-N 2 2 380.514 0.698 20 0 GCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000471168006 1184319361 /nfs/dbraw/zinc/31/93/61/1184319361.db2.gz GCWIERHMUPXSIX-MRXNPFEDSA-N 2 2 390.532 0.648 20 0 GCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000471168006 1184319364 /nfs/dbraw/zinc/31/93/64/1184319364.db2.gz GCWIERHMUPXSIX-MRXNPFEDSA-N 2 2 390.532 0.648 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867703 1184409432 /nfs/dbraw/zinc/40/94/32/1184409432.db2.gz JUMVGYWZPDFHFI-YJBOKZPZSA-N 2 2 381.480 0.907 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867703 1184409436 /nfs/dbraw/zinc/40/94/36/1184409436.db2.gz JUMVGYWZPDFHFI-YJBOKZPZSA-N 2 2 381.480 0.907 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867703 1184409441 /nfs/dbraw/zinc/40/94/41/1184409441.db2.gz JUMVGYWZPDFHFI-YJBOKZPZSA-N 2 2 381.480 0.907 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867703 1184409448 /nfs/dbraw/zinc/40/94/48/1184409448.db2.gz JUMVGYWZPDFHFI-YJBOKZPZSA-N 2 2 381.480 0.907 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc2)CC1 ZINC000154801134 1184471580 /nfs/dbraw/zinc/47/15/80/1184471580.db2.gz JZYOJUKMBVNIDI-UHFFFAOYSA-N 2 2 375.517 0.783 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000275089125 1184503909 /nfs/dbraw/zinc/50/39/09/1184503909.db2.gz HJTZXIKUGNKQNB-MAUKXSAKSA-N 2 2 389.500 0.667 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000275089125 1184503910 /nfs/dbraw/zinc/50/39/10/1184503910.db2.gz HJTZXIKUGNKQNB-MAUKXSAKSA-N 2 2 389.500 0.667 20 0 GCADLP NC(=O)[C@@]1([NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCOC1 ZINC000653841880 1184670195 /nfs/dbraw/zinc/67/01/95/1184670195.db2.gz OWJAXZHEQJQYLQ-VQIMIIECSA-N 2 2 394.903 0.827 20 0 GCADLP Cc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001707870854 1184677613 /nfs/dbraw/zinc/67/76/13/1184677613.db2.gz ORBNKORNEXWMKQ-SJLPKXTDSA-N 2 2 392.548 0.854 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275473505 1184680881 /nfs/dbraw/zinc/68/08/81/1184680881.db2.gz BBHIGDRRFGASCL-UHFFFAOYSA-N 2 2 375.473 0.766 20 0 GCADLP CCc1[nH]ccc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000510270627 1184717385 /nfs/dbraw/zinc/71/73/85/1184717385.db2.gz NCXOMSATVUMBND-UHFFFAOYSA-N 2 2 375.517 0.888 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237816477 1184734179 /nfs/dbraw/zinc/73/41/79/1184734179.db2.gz AWBZTPBUCWRMAK-KRWDZBQOSA-N 2 2 377.452 0.899 20 0 GCADLP CN(C(=O)c1c(Cl)cnn1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371135 1184758577 /nfs/dbraw/zinc/75/85/77/1184758577.db2.gz KLJPNWIUFCZETI-UHFFFAOYSA-N 2 2 396.923 0.384 20 0 GCADLP CCCN(C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647019543 1184786135 /nfs/dbraw/zinc/78/61/35/1184786135.db2.gz MPKLIUSRVWRHMT-IBGZPJMESA-N 3 2 393.576 0.604 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)NC[C@H]1CCCCO1 ZINC000655728051 1184788778 /nfs/dbraw/zinc/78/87/78/1184788778.db2.gz UHKWUFVXDNESII-MSOLQXFVSA-N 2 2 389.562 0.708 20 0 GCADLP COCC[C@]1([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCOC1 ZINC000683678802 1184881094 /nfs/dbraw/zinc/88/10/94/1184881094.db2.gz PCDVDPDIWMKHNP-NRFANRHFSA-N 2 2 391.512 0.920 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000579984968 1184888954 /nfs/dbraw/zinc/88/89/54/1184888954.db2.gz FJZZMWBZYWUFNQ-KRWDZBQOSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000579984968 1184888963 /nfs/dbraw/zinc/88/89/63/1184888963.db2.gz FJZZMWBZYWUFNQ-KRWDZBQOSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000579990081 1184893856 /nfs/dbraw/zinc/89/38/56/1184893856.db2.gz LKTLLINABLEFBD-QFBILLFUSA-N 2 2 394.560 0.813 20 0 GCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1C(N)=O ZINC000275670400 1184904270 /nfs/dbraw/zinc/90/42/70/1184904270.db2.gz JDZRKAPJBRXGRX-UHFFFAOYSA-N 2 2 389.500 0.517 20 0 GCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1C(N)=O ZINC000275670400 1184904271 /nfs/dbraw/zinc/90/42/71/1184904271.db2.gz JDZRKAPJBRXGRX-UHFFFAOYSA-N 2 2 389.500 0.517 20 0 GCADLP COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000683699541 1184908639 /nfs/dbraw/zinc/90/86/39/1184908639.db2.gz MMFJHQQMBJWDER-YQVWRLOYSA-N 2 2 398.548 0.210 20 0 GCADLP COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000683699541 1184908643 /nfs/dbraw/zinc/90/86/43/1184908643.db2.gz MMFJHQQMBJWDER-YQVWRLOYSA-N 2 2 398.548 0.210 20 0 GCADLP CN(C(=O)NCCN1CCNC1=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000891077092 1184910774 /nfs/dbraw/zinc/91/07/74/1184910774.db2.gz LFIUSAARTIODAR-ROUUACIJSA-N 2 2 394.564 0.990 20 0 GCADLP CN(C(=O)NCCN1CCNC1=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000891077092 1184910777 /nfs/dbraw/zinc/91/07/77/1184910777.db2.gz LFIUSAARTIODAR-ROUUACIJSA-N 2 2 394.564 0.990 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000118897942 1185038005 /nfs/dbraw/zinc/03/80/05/1185038005.db2.gz FAVXFDGTCRLBGQ-SFHVURJKSA-N 2 2 387.528 0.831 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000118897942 1185038013 /nfs/dbraw/zinc/03/80/13/1185038013.db2.gz FAVXFDGTCRLBGQ-SFHVURJKSA-N 2 2 387.528 0.831 20 0 GCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000275768535 1185039655 /nfs/dbraw/zinc/03/96/55/1185039655.db2.gz SCNSFLWLOZVWLH-ZIFCJYIRSA-N 2 2 389.500 0.259 20 0 GCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000275768535 1185039658 /nfs/dbraw/zinc/03/96/58/1185039658.db2.gz SCNSFLWLOZVWLH-ZIFCJYIRSA-N 2 2 389.500 0.259 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000275768535 1185039661 /nfs/dbraw/zinc/03/96/61/1185039661.db2.gz SCNSFLWLOZVWLH-ZIFCJYIRSA-N 2 2 389.500 0.259 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000275768535 1185039663 /nfs/dbraw/zinc/03/96/63/1185039663.db2.gz SCNSFLWLOZVWLH-ZIFCJYIRSA-N 2 2 389.500 0.259 20 0 GCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000683816067 1185073611 /nfs/dbraw/zinc/07/36/11/1185073611.db2.gz IYDKJZNZRXYZFC-KRWDZBQOSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000683816067 1185073618 /nfs/dbraw/zinc/07/36/18/1185073618.db2.gz IYDKJZNZRXYZFC-KRWDZBQOSA-N 2 2 381.565 0.907 20 0 GCADLP COCC[N@H+](C)C[C@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151969 1185117672 /nfs/dbraw/zinc/11/76/72/1185117672.db2.gz WFPXQOZYCVKJEX-ZWKOTPCHSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[N@@H+](C)C[C@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151969 1185117677 /nfs/dbraw/zinc/11/76/77/1185117677.db2.gz WFPXQOZYCVKJEX-ZWKOTPCHSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[NH+](C)C[C@H](O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656151969 1185117682 /nfs/dbraw/zinc/11/76/82/1185117682.db2.gz WFPXQOZYCVKJEX-ZWKOTPCHSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[NH+](C)C[C@H](O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656151969 1185117688 /nfs/dbraw/zinc/11/76/88/1185117688.db2.gz WFPXQOZYCVKJEX-ZWKOTPCHSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[N@H+](C)C[C@@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151967 1185117891 /nfs/dbraw/zinc/11/78/91/1185117891.db2.gz WFPXQOZYCVKJEX-QZTJIDSGSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[N@@H+](C)C[C@@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151967 1185117897 /nfs/dbraw/zinc/11/78/97/1185117897.db2.gz WFPXQOZYCVKJEX-QZTJIDSGSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[NH+](C)C[C@@H](O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656151967 1185117904 /nfs/dbraw/zinc/11/79/04/1185117904.db2.gz WFPXQOZYCVKJEX-QZTJIDSGSA-N 2 2 390.488 0.186 20 0 GCADLP COCC[NH+](C)C[C@@H](O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656151967 1185117908 /nfs/dbraw/zinc/11/79/08/1185117908.db2.gz WFPXQOZYCVKJEX-QZTJIDSGSA-N 2 2 390.488 0.186 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000580222765 1185122657 /nfs/dbraw/zinc/12/26/57/1185122657.db2.gz ZTSXQHLNTYFLIC-MRXNPFEDSA-N 2 2 392.500 0.448 20 0 GCADLP COC(=O)C1CC2(C1)C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO2 ZINC000891252529 1185182274 /nfs/dbraw/zinc/18/22/74/1185182274.db2.gz ICQHHBORCCSTHL-KOHRHEQBSA-N 2 2 384.521 0.670 20 0 GCADLP COC(=O)C1CC2(C1)C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO2 ZINC000891252529 1185182279 /nfs/dbraw/zinc/18/22/79/1185182279.db2.gz ICQHHBORCCSTHL-KOHRHEQBSA-N 2 2 384.521 0.670 20 0 GCADLP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000580410558 1185223037 /nfs/dbraw/zinc/22/30/37/1185223037.db2.gz UXKNYIVGXDQCGL-INIZCTEOSA-N 2 2 379.505 0.142 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275907192 1185266423 /nfs/dbraw/zinc/26/64/23/1185266423.db2.gz IWAQITMXNNUUIA-JKSUJKDBSA-N 2 2 376.505 0.432 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275907192 1185266430 /nfs/dbraw/zinc/26/64/30/1185266430.db2.gz IWAQITMXNNUUIA-JKSUJKDBSA-N 2 2 376.505 0.432 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275907187 1185266676 /nfs/dbraw/zinc/26/66/76/1185266676.db2.gz IWAQITMXNNUUIA-HZPDHXFCSA-N 2 2 376.505 0.432 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275907187 1185266677 /nfs/dbraw/zinc/26/66/77/1185266677.db2.gz IWAQITMXNNUUIA-HZPDHXFCSA-N 2 2 376.505 0.432 20 0 GCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000683986336 1185273622 /nfs/dbraw/zinc/27/36/22/1185273622.db2.gz UXLYVHHONYDHMP-PKOBYXMFSA-N 2 2 389.500 0.651 20 0 GCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000683986336 1185273627 /nfs/dbraw/zinc/27/36/27/1185273627.db2.gz UXLYVHHONYDHMP-PKOBYXMFSA-N 2 2 389.500 0.651 20 0 GCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000275922856 1185285445 /nfs/dbraw/zinc/28/54/45/1185285445.db2.gz MLJMOAJZURJIHZ-AWEZNQCLSA-N 2 2 386.456 0.509 20 0 GCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000275922856 1185285448 /nfs/dbraw/zinc/28/54/48/1185285448.db2.gz MLJMOAJZURJIHZ-AWEZNQCLSA-N 2 2 386.456 0.509 20 0 GCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000275922859 1185286063 /nfs/dbraw/zinc/28/60/63/1185286063.db2.gz MLJMOAJZURJIHZ-CQSZACIVSA-N 2 2 386.456 0.509 20 0 GCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000275922859 1185286065 /nfs/dbraw/zinc/28/60/65/1185286065.db2.gz MLJMOAJZURJIHZ-CQSZACIVSA-N 2 2 386.456 0.509 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000580634326 1185293177 /nfs/dbraw/zinc/29/31/77/1185293177.db2.gz LOLXZHUTPCHFOE-KURKYZTESA-N 2 2 392.544 0.545 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000580634326 1185293183 /nfs/dbraw/zinc/29/31/83/1185293183.db2.gz LOLXZHUTPCHFOE-KURKYZTESA-N 2 2 392.544 0.545 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3nc4c(s3)CCC4)C2)CC1 ZINC000684026498 1185306080 /nfs/dbraw/zinc/30/60/80/1185306080.db2.gz WHEWRVHWRXEZRI-LBPRGKRZSA-N 2 2 377.514 0.855 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3nc4c(s3)CCC4)C2)CC1 ZINC000684026498 1185306086 /nfs/dbraw/zinc/30/60/86/1185306086.db2.gz WHEWRVHWRXEZRI-LBPRGKRZSA-N 2 2 377.514 0.855 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000656289898 1185340125 /nfs/dbraw/zinc/34/01/25/1185340125.db2.gz UYBMWPGBVUODQB-GOSISDBHSA-N 2 2 395.592 0.707 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000656289898 1185340137 /nfs/dbraw/zinc/34/01/37/1185340137.db2.gz UYBMWPGBVUODQB-GOSISDBHSA-N 2 2 395.592 0.707 20 0 GCADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1 ZINC000656296933 1185354688 /nfs/dbraw/zinc/35/46/88/1185354688.db2.gz PCQMZUJAPZNEIY-UHFFFAOYSA-N 2 2 395.592 0.853 20 0 GCADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1 ZINC000656296933 1185354696 /nfs/dbraw/zinc/35/46/96/1185354696.db2.gz PCQMZUJAPZNEIY-UHFFFAOYSA-N 2 2 395.592 0.853 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)CN1CC[NH+](C)CC1 ZINC000656299957 1185365472 /nfs/dbraw/zinc/36/54/72/1185365472.db2.gz FZGUJXYBQONPQO-KZNAEPCWSA-N 2 2 379.549 0.119 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)CN1CC[NH+](C)CC1 ZINC000656299957 1185365476 /nfs/dbraw/zinc/36/54/76/1185365476.db2.gz FZGUJXYBQONPQO-KZNAEPCWSA-N 2 2 379.549 0.119 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)CN1CC[NH+](C)CC1 ZINC000656299958 1185365819 /nfs/dbraw/zinc/36/58/19/1185365819.db2.gz FZGUJXYBQONPQO-SQNIBIBYSA-N 2 2 379.549 0.119 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)CN1CC[NH+](C)CC1 ZINC000656299958 1185365825 /nfs/dbraw/zinc/36/58/25/1185365825.db2.gz FZGUJXYBQONPQO-SQNIBIBYSA-N 2 2 379.549 0.119 20 0 GCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304308 1185378304 /nfs/dbraw/zinc/37/83/04/1185378304.db2.gz VXOVYTJCIPTCII-ZKXLYKBJSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304308 1185378309 /nfs/dbraw/zinc/37/83/09/1185378309.db2.gz VXOVYTJCIPTCII-ZKXLYKBJSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304308 1185378312 /nfs/dbraw/zinc/37/83/12/1185378312.db2.gz VXOVYTJCIPTCII-ZKXLYKBJSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304308 1185378317 /nfs/dbraw/zinc/37/83/17/1185378317.db2.gz VXOVYTJCIPTCII-ZKXLYKBJSA-N 2 2 382.549 0.837 20 0 GCADLP COc1ccc2c(c1)CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000656314680 1185397830 /nfs/dbraw/zinc/39/78/30/1185397830.db2.gz BDJLGZZGYHLGFD-KRWDZBQOSA-N 2 2 386.496 0.822 20 0 GCADLP COc1ccc2c(c1)CN(C(=O)C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000656314680 1185397835 /nfs/dbraw/zinc/39/78/35/1185397835.db2.gz BDJLGZZGYHLGFD-KRWDZBQOSA-N 2 2 386.496 0.822 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000656343686 1185437863 /nfs/dbraw/zinc/43/78/63/1185437863.db2.gz OVGJKTKDNHQDMB-ICUGJSFKSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000656343686 1185437869 /nfs/dbraw/zinc/43/78/69/1185437869.db2.gz OVGJKTKDNHQDMB-ICUGJSFKSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343686 1185437871 /nfs/dbraw/zinc/43/78/71/1185437871.db2.gz OVGJKTKDNHQDMB-ICUGJSFKSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343686 1185437879 /nfs/dbraw/zinc/43/78/79/1185437879.db2.gz OVGJKTKDNHQDMB-ICUGJSFKSA-N 2 2 382.549 0.837 20 0 GCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000656366481 1185479073 /nfs/dbraw/zinc/47/90/73/1185479073.db2.gz JKKDYGKMKDXUAQ-ROUUACIJSA-N 2 2 396.532 0.108 20 0 GCADLP C[NH+]1CCC(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)(N2CCOCC2)CC1 ZINC000581178412 1185523344 /nfs/dbraw/zinc/52/33/44/1185523344.db2.gz UXPSLMMDRRXTCD-UHFFFAOYSA-N 2 2 397.564 0.193 20 0 GCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276112617 1185578705 /nfs/dbraw/zinc/57/87/05/1185578705.db2.gz RNNCSWCSRROFLV-QGZVFWFLSA-N 2 2 392.500 0.147 20 0 GCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000276289201 1185720733 /nfs/dbraw/zinc/72/07/33/1185720733.db2.gz RGGPNBJUMZFBAK-UHFFFAOYSA-N 2 2 377.489 0.965 20 0 GCADLP COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430610043 1185747289 /nfs/dbraw/zinc/74/72/89/1185747289.db2.gz JOSFKIJODPQUHW-MRXNPFEDSA-N 2 2 395.525 0.613 20 0 GCADLP COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430610043 1185747293 /nfs/dbraw/zinc/74/72/93/1185747293.db2.gz JOSFKIJODPQUHW-MRXNPFEDSA-N 2 2 395.525 0.613 20 0 GCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000581533104 1185747790 /nfs/dbraw/zinc/74/77/90/1185747790.db2.gz MMXXICQEXAILKV-KRWDZBQOSA-N 2 2 375.521 0.723 20 0 GCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000581533104 1185747793 /nfs/dbraw/zinc/74/77/93/1185747793.db2.gz MMXXICQEXAILKV-KRWDZBQOSA-N 2 2 375.521 0.723 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430619191 1185795803 /nfs/dbraw/zinc/79/58/03/1185795803.db2.gz ZSCMVWYYDRYDQL-HOCLYGCPSA-N 2 2 382.530 0.313 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430619191 1185795807 /nfs/dbraw/zinc/79/58/07/1185795807.db2.gz ZSCMVWYYDRYDQL-HOCLYGCPSA-N 2 2 382.530 0.313 20 0 GCADLP CCCN(C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000581657284 1185818490 /nfs/dbraw/zinc/81/84/90/1185818490.db2.gz BZLPNYZVXNDDEY-ROUUACIJSA-N 2 2 380.533 0.737 20 0 GCADLP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1nc2c(s1)CCC2 ZINC000430631003 1185818651 /nfs/dbraw/zinc/81/86/51/1185818651.db2.gz SRIGPFFDWDXUAQ-ZDUSSCGKSA-N 2 2 377.514 0.714 20 0 GCADLP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1nc2c(s1)CCC2 ZINC000430631003 1185818663 /nfs/dbraw/zinc/81/86/63/1185818663.db2.gz SRIGPFFDWDXUAQ-ZDUSSCGKSA-N 2 2 377.514 0.714 20 0 GCADLP CC(C)O[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000581823386 1185900853 /nfs/dbraw/zinc/90/08/53/1185900853.db2.gz CNZRGWBGHMLFJW-GOSISDBHSA-N 2 2 380.533 0.687 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000891536156 1185910191 /nfs/dbraw/zinc/91/01/91/1185910191.db2.gz DLFHCZFONZLVFV-GOSISDBHSA-N 2 2 394.541 0.509 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000891536608 1185910304 /nfs/dbraw/zinc/91/03/04/1185910304.db2.gz DLFHCZFONZLVFV-SFHVURJKSA-N 2 2 394.541 0.509 20 0 GCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891709715 1185990861 /nfs/dbraw/zinc/99/08/61/1185990861.db2.gz SZMYUDGHKRXGRC-QXSJWSMHSA-N 2 2 386.456 0.237 20 0 GCADLP Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001707905249 1185996209 /nfs/dbraw/zinc/99/62/09/1185996209.db2.gz DUTTVRIUYMYIIW-IEBWSBKVSA-N 2 2 392.548 0.856 20 0 GCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276732815 1186001175 /nfs/dbraw/zinc/00/11/75/1186001175.db2.gz YNZMKKXQSVQKSS-LJQANCHMSA-N 2 2 386.496 0.038 20 0 GCADLP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)CC1 ZINC000430775434 1186028784 /nfs/dbraw/zinc/02/87/84/1186028784.db2.gz LDXCAIDHUZCWGE-UHFFFAOYSA-N 2 2 388.472 0.273 20 0 GCADLP CCCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CC[NH2+]C1 ZINC000430960912 1186070716 /nfs/dbraw/zinc/07/07/16/1186070716.db2.gz ANYJEXOOWUUXHZ-HNNXBMFYSA-N 2 2 386.504 0.086 20 0 GCADLP CCOC1CC(CNC(=O)NC2(CCOC)CC[NH2+]CC2)([NH+]2CCOCC2)C1 ZINC000891857383 1186099458 /nfs/dbraw/zinc/09/94/58/1186099458.db2.gz CRZZAVFVLQTACS-UHFFFAOYSA-N 2 2 398.548 0.714 20 0 GCADLP O=C(CN1CC[NH2+]CC1=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000431018320 1186103129 /nfs/dbraw/zinc/10/31/29/1186103129.db2.gz VPUGFXHIRNAOPM-UHFFFAOYSA-N 2 2 388.512 0.606 20 0 GCADLP Cc1cccc(N2CC[NH+](CCCCNC(=O)CN3CC[NH2+]CC3=O)CC2)c1 ZINC000431028757 1186108164 /nfs/dbraw/zinc/10/81/64/1186108164.db2.gz UAUXHTQKSXECKP-UHFFFAOYSA-N 2 2 387.528 0.445 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C1(OC)CC[NH2+]CC1)CC2 ZINC000431059536 1186116594 /nfs/dbraw/zinc/11/65/94/1186116594.db2.gz QCMFRDGXGQBQCE-UHFFFAOYSA-N 2 2 377.485 0.947 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C1(OC)CC[NH2+]CC1)CC2 ZINC000431059536 1186116596 /nfs/dbraw/zinc/11/65/96/1186116596.db2.gz QCMFRDGXGQBQCE-UHFFFAOYSA-N 2 2 377.485 0.947 20 0 GCADLP C[NH+](C)CC(C)(C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000458112500 1186203553 /nfs/dbraw/zinc/20/35/53/1186203553.db2.gz VTODFIDRAYQIMY-UHFFFAOYSA-N 2 2 376.505 0.760 20 0 GCADLP CN(C(=O)CCNS(C)(=O)=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849324 1186255910 /nfs/dbraw/zinc/25/59/10/1186255910.db2.gz XLKBCAAWFDHYQV-SJORKVTESA-N 2 2 388.578 0.721 20 0 GCADLP CN(C(=O)CCNS(C)(=O)=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849324 1186255913 /nfs/dbraw/zinc/25/59/13/1186255913.db2.gz XLKBCAAWFDHYQV-SJORKVTESA-N 2 2 388.578 0.721 20 0 GCADLP COCC1(CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)CC[NH2+]CC1 ZINC000892113410 1186349001 /nfs/dbraw/zinc/34/90/01/1186349001.db2.gz CYSLJGGSHLJGCR-UHFFFAOYSA-N 2 2 376.505 0.363 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000559553448 1186435932 /nfs/dbraw/zinc/43/59/32/1186435932.db2.gz VKWIYOQKJDMZAW-QZTJIDSGSA-N 2 2 398.548 0.029 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000559553450 1186436209 /nfs/dbraw/zinc/43/62/09/1186436209.db2.gz VKWIYOQKJDMZAW-ZWKOTPCHSA-N 2 2 398.548 0.029 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000559553449 1186436260 /nfs/dbraw/zinc/43/62/60/1186436260.db2.gz VKWIYOQKJDMZAW-ROUUACIJSA-N 2 2 398.548 0.029 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000582255382 1186475743 /nfs/dbraw/zinc/47/57/43/1186475743.db2.gz TXDCEZGAOQGVNS-MOPGFXCFSA-N 2 2 394.560 0.794 20 0 GCADLP COc1ccc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000582304905 1186491876 /nfs/dbraw/zinc/49/18/76/1186491876.db2.gz GIQBSEZXGYWGQK-UHFFFAOYSA-N 2 2 389.500 0.381 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000582315900 1186493068 /nfs/dbraw/zinc/49/30/68/1186493068.db2.gz NNHITOURUSDOLL-MOPGFXCFSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000582315900 1186493072 /nfs/dbraw/zinc/49/30/72/1186493072.db2.gz NNHITOURUSDOLL-MOPGFXCFSA-N 3 2 391.560 0.404 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001022748177 1186543514 /nfs/dbraw/zinc/54/35/14/1186543514.db2.gz MJDCCYIFYGIPTD-DODZYUBVSA-N 2 2 385.512 0.925 20 0 GCADLP COC(=O)Cn1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)nn1 ZINC000582526984 1186558643 /nfs/dbraw/zinc/55/86/43/1186558643.db2.gz ZYADRQQQHFYAQA-OAHLLOKOSA-N 2 2 378.502 0.591 20 0 GCADLP NC(=O)[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCOC1 ZINC000582734325 1186633813 /nfs/dbraw/zinc/63/38/13/1186633813.db2.gz WIXZYJREUPULQU-QFIPXVFZSA-N 2 2 396.491 0.718 20 0 GCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000582844081 1186710314 /nfs/dbraw/zinc/71/03/14/1186710314.db2.gz QVIAVLKEULXCIQ-CQSZACIVSA-N 2 2 378.477 0.126 20 0 GCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000582844081 1186710318 /nfs/dbraw/zinc/71/03/18/1186710318.db2.gz QVIAVLKEULXCIQ-CQSZACIVSA-N 2 2 378.477 0.126 20 0 GCADLP CCC(O)(CC)CCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000582922432 1186730435 /nfs/dbraw/zinc/73/04/35/1186730435.db2.gz WWUARRMCALXGIC-UHFFFAOYSA-N 2 2 382.549 0.719 20 0 GCADLP CC(C)(CNC(=O)CN1CCC(CO)([NH2+]CC2CC2)CC1)[NH+]1CCOCC1 ZINC000582968561 1186738609 /nfs/dbraw/zinc/73/86/09/1186738609.db2.gz STWFOKCMWJUPIX-UHFFFAOYSA-N 2 2 382.549 0.040 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000582982973 1186742958 /nfs/dbraw/zinc/74/29/58/1186742958.db2.gz RIIPZRSXELKGOK-ZWKOTPCHSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000583042016 1186755745 /nfs/dbraw/zinc/75/57/45/1186755745.db2.gz RTTZISYWBPFFPC-QGZVFWFLSA-N 2 2 386.537 0.476 20 0 GCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000583042016 1186755747 /nfs/dbraw/zinc/75/57/47/1186755747.db2.gz RTTZISYWBPFFPC-QGZVFWFLSA-N 2 2 386.537 0.476 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000685082392 1186775295 /nfs/dbraw/zinc/77/52/95/1186775295.db2.gz QRBSQDFGXSUPIM-UHFFFAOYSA-N 2 2 382.549 0.651 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000162609168 1186787024 /nfs/dbraw/zinc/78/70/24/1186787024.db2.gz XLEQBROTBCDQEX-PKOBYXMFSA-N 2 2 379.476 0.942 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657745414 1186805797 /nfs/dbraw/zinc/80/57/97/1186805797.db2.gz PXGQOPVVASOWSJ-SFHVURJKSA-N 2 2 387.484 0.053 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657746538 1186809171 /nfs/dbraw/zinc/80/91/71/1186809171.db2.gz XEHZTFQGWZFLIP-SFHVURJKSA-N 2 2 380.533 0.500 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000583267049 1186811859 /nfs/dbraw/zinc/81/18/59/1186811859.db2.gz GMLVRQHJMCJGBT-KRWDZBQOSA-N 2 2 382.549 0.936 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000583267049 1186811865 /nfs/dbraw/zinc/81/18/65/1186811865.db2.gz GMLVRQHJMCJGBT-KRWDZBQOSA-N 2 2 382.549 0.936 20 0 GCADLP C[C@H](CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000583267050 1186811915 /nfs/dbraw/zinc/81/19/15/1186811915.db2.gz GMLVRQHJMCJGBT-QGZVFWFLSA-N 2 2 382.549 0.936 20 0 GCADLP C[C@H](CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000583267050 1186811921 /nfs/dbraw/zinc/81/19/21/1186811921.db2.gz GMLVRQHJMCJGBT-QGZVFWFLSA-N 2 2 382.549 0.936 20 0 GCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657745875 1186812051 /nfs/dbraw/zinc/81/20/51/1186812051.db2.gz SRLKTUVXVJHXKG-ZWKOTPCHSA-N 2 2 380.533 0.642 20 0 GCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657745875 1186812057 /nfs/dbraw/zinc/81/20/57/1186812057.db2.gz SRLKTUVXVJHXKG-ZWKOTPCHSA-N 2 2 380.533 0.642 20 0 GCADLP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657745978 1186812842 /nfs/dbraw/zinc/81/28/42/1186812842.db2.gz UNAMGPKCVUJOSV-SFHVURJKSA-N 2 2 394.560 0.890 20 0 GCADLP [NH3+]CCCn1cc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)nn1 ZINC000583378056 1186840454 /nfs/dbraw/zinc/84/04/54/1186840454.db2.gz FVTTUWQMYWOGDM-UHFFFAOYSA-N 2 2 388.472 0.268 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000245884038 1186900245 /nfs/dbraw/zinc/90/02/45/1186900245.db2.gz OIDYOHRWQLARJO-IRXDYDNUSA-N 2 2 390.532 0.430 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000245884038 1186900248 /nfs/dbraw/zinc/90/02/48/1186900248.db2.gz OIDYOHRWQLARJO-IRXDYDNUSA-N 2 2 390.532 0.430 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000246359369 1186918133 /nfs/dbraw/zinc/91/81/33/1186918133.db2.gz NDAJNAGIJBCTNF-CHWSQXEVSA-N 2 2 379.427 0.475 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000246359369 1186918136 /nfs/dbraw/zinc/91/81/36/1186918136.db2.gz NDAJNAGIJBCTNF-CHWSQXEVSA-N 2 2 379.427 0.475 20 0 GCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000458658320 1186930250 /nfs/dbraw/zinc/93/02/50/1186930250.db2.gz RQYLTMGGKXPCCP-SLFFLAALSA-N 2 2 388.512 0.916 20 0 GCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000458658320 1186930251 /nfs/dbraw/zinc/93/02/51/1186930251.db2.gz RQYLTMGGKXPCCP-SLFFLAALSA-N 2 2 388.512 0.916 20 0 GCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000458658320 1186930252 /nfs/dbraw/zinc/93/02/52/1186930252.db2.gz RQYLTMGGKXPCCP-SLFFLAALSA-N 2 2 388.512 0.916 20 0 GCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000458658320 1186930255 /nfs/dbraw/zinc/93/02/55/1186930255.db2.gz RQYLTMGGKXPCCP-SLFFLAALSA-N 2 2 388.512 0.916 20 0 GCADLP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000583744712 1186930572 /nfs/dbraw/zinc/93/05/72/1186930572.db2.gz VIYVXNKYFFGASI-MSOLQXFVSA-N 2 2 380.533 0.737 20 0 GCADLP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000583744712 1186930577 /nfs/dbraw/zinc/93/05/77/1186930577.db2.gz VIYVXNKYFFGASI-MSOLQXFVSA-N 2 2 380.533 0.737 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010136 1186937337 /nfs/dbraw/zinc/93/73/37/1186937337.db2.gz UITUJQSKQAFGSL-APWZRJJASA-N 3 2 393.576 0.460 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010136 1186937338 /nfs/dbraw/zinc/93/73/38/1186937338.db2.gz UITUJQSKQAFGSL-APWZRJJASA-N 3 2 393.576 0.460 20 0 GCADLP C[C@@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[NH+]1CCSCC1 ZINC000130931926 1186949362 /nfs/dbraw/zinc/94/93/62/1186949362.db2.gz CAPCTZFHPHTACV-INIZCTEOSA-N 2 2 378.546 0.542 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)CC1 ZINC000050800327 1186952089 /nfs/dbraw/zinc/95/20/89/1186952089.db2.gz GZVAIJCNYCZXAM-QGZVFWFLSA-N 2 2 386.562 0.475 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C ZINC000247809528 1186969140 /nfs/dbraw/zinc/96/91/40/1186969140.db2.gz ULHZTRUSADJLQV-SJORKVTESA-N 2 2 380.558 0.779 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C ZINC000247809528 1186969142 /nfs/dbraw/zinc/96/91/42/1186969142.db2.gz ULHZTRUSADJLQV-SJORKVTESA-N 2 2 380.558 0.779 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)S(C)(=O)=O ZINC000158537969 1186980515 /nfs/dbraw/zinc/98/05/15/1186980515.db2.gz QSYFCMCUCZLWND-IAGOWNOFSA-N 2 2 388.578 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)S(C)(=O)=O ZINC000158537969 1186980520 /nfs/dbraw/zinc/98/05/20/1186980520.db2.gz QSYFCMCUCZLWND-IAGOWNOFSA-N 2 2 388.578 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC000158537969 1186980522 /nfs/dbraw/zinc/98/05/22/1186980522.db2.gz QSYFCMCUCZLWND-IAGOWNOFSA-N 2 2 388.578 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)S(C)(=O)=O ZINC000158537969 1186980525 /nfs/dbraw/zinc/98/05/25/1186980525.db2.gz QSYFCMCUCZLWND-IAGOWNOFSA-N 2 2 388.578 0.579 20 0 GCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000158764803 1186992836 /nfs/dbraw/zinc/99/28/36/1186992836.db2.gz CIZZLRPWLIJOPG-UHFFFAOYSA-N 2 2 384.484 0.937 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000278666418 1187011944 /nfs/dbraw/zinc/01/19/44/1187011944.db2.gz BDNQXMICPWTZPJ-QGZVFWFLSA-N 2 2 390.532 0.696 20 0 GCADLP CN1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000584221373 1187017067 /nfs/dbraw/zinc/01/70/67/1187017067.db2.gz XEDDIGNWDOTFPW-MOPGFXCFSA-N 2 2 375.517 0.214 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(cc[nH]c4=O)c3)C2)CC1 ZINC000657845393 1187041582 /nfs/dbraw/zinc/04/15/82/1187041582.db2.gz NRVUMXATYMVWII-MRXNPFEDSA-N 2 2 397.479 0.751 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(cc[nH]c4=O)c3)C2)CC1 ZINC000657845393 1187041585 /nfs/dbraw/zinc/04/15/85/1187041585.db2.gz NRVUMXATYMVWII-MRXNPFEDSA-N 2 2 397.479 0.751 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000081528902 1187046443 /nfs/dbraw/zinc/04/64/43/1187046443.db2.gz HYQIAGGVERZRFY-IAGOWNOFSA-N 2 2 380.489 0.751 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000083694587 1187051643 /nfs/dbraw/zinc/05/16/43/1187051643.db2.gz SZQZNKSTQTWRHC-MOPGFXCFSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000083694587 1187051647 /nfs/dbraw/zinc/05/16/47/1187051647.db2.gz SZQZNKSTQTWRHC-MOPGFXCFSA-N 2 2 376.501 0.595 20 0 GCADLP O=C(CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000139032203 1187078517 /nfs/dbraw/zinc/07/85/17/1187078517.db2.gz BDYMMFZCIYEOSZ-QGZVFWFLSA-N 2 2 386.500 0.610 20 0 GCADLP O=C(CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000139032203 1187078522 /nfs/dbraw/zinc/07/85/22/1187078522.db2.gz BDYMMFZCIYEOSZ-QGZVFWFLSA-N 2 2 386.500 0.610 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341475 1187105440 /nfs/dbraw/zinc/10/54/40/1187105440.db2.gz MWQLKOVLIDZMLI-GPQLOAJWSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341475 1187105441 /nfs/dbraw/zinc/10/54/41/1187105441.db2.gz MWQLKOVLIDZMLI-GPQLOAJWSA-N 2 2 380.533 0.545 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCO[C@@H]1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685347060 1187110544 /nfs/dbraw/zinc/11/05/44/1187110544.db2.gz AFPRZAJVAAOTQP-OKZBNKHCSA-N 2 2 378.517 0.297 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCO[C@@H]1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685347060 1187110545 /nfs/dbraw/zinc/11/05/45/1187110545.db2.gz AFPRZAJVAAOTQP-OKZBNKHCSA-N 2 2 378.517 0.297 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685356988 1187114724 /nfs/dbraw/zinc/11/47/24/1187114724.db2.gz VMCJCYVVOLCMGD-WMZOPIPTSA-N 2 2 392.544 0.831 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCOC2(CCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685356988 1187114729 /nfs/dbraw/zinc/11/47/29/1187114729.db2.gz VMCJCYVVOLCMGD-WMZOPIPTSA-N 2 2 392.544 0.831 20 0 GCADLP COCC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000685397510 1187120952 /nfs/dbraw/zinc/12/09/52/1187120952.db2.gz JKDTZHUODYXVQJ-KRWDZBQOSA-N 2 2 380.533 0.546 20 0 GCADLP COCC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000685397510 1187120961 /nfs/dbraw/zinc/12/09/61/1187120961.db2.gz JKDTZHUODYXVQJ-KRWDZBQOSA-N 2 2 380.533 0.546 20 0 GCADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685500492 1187137144 /nfs/dbraw/zinc/13/71/44/1187137144.db2.gz RPLSQVWOFANXPT-ZWKOTPCHSA-N 2 2 378.517 0.443 20 0 GCADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685500492 1187137146 /nfs/dbraw/zinc/13/71/46/1187137146.db2.gz RPLSQVWOFANXPT-ZWKOTPCHSA-N 2 2 378.517 0.443 20 0 GCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685520155 1187142903 /nfs/dbraw/zinc/14/29/03/1187142903.db2.gz BQXWFYQFXGFQCO-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685520155 1187142904 /nfs/dbraw/zinc/14/29/04/1187142904.db2.gz BQXWFYQFXGFQCO-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[NH+](C)C ZINC000658421317 1187291789 /nfs/dbraw/zinc/29/17/89/1187291789.db2.gz KVXWJWZOTMLPFM-INIZCTEOSA-N 2 2 375.517 0.829 20 0 GCADLP 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C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC[N@@H+]1CC(C)(C)O ZINC000659256507 1187921760 /nfs/dbraw/zinc/92/17/60/1187921760.db2.gz RFPUEKMKIDEGQQ-CVEARBPZSA-N 2 2 377.489 0.350 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC[N@H+]1CC(C)(C)O ZINC000659256507 1187921764 /nfs/dbraw/zinc/92/17/64/1187921764.db2.gz RFPUEKMKIDEGQQ-CVEARBPZSA-N 2 2 377.489 0.350 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000659345074 1187945279 /nfs/dbraw/zinc/94/52/79/1187945279.db2.gz YCMVGLPCYCZOFT-NVXWUHKLSA-N 2 2 380.533 0.639 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000659345074 1187945283 /nfs/dbraw/zinc/94/52/83/1187945283.db2.gz YCMVGLPCYCZOFT-NVXWUHKLSA-N 2 2 380.533 0.639 20 0 GCADLP CC[C@]1(C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344777 1187945421 /nfs/dbraw/zinc/94/54/21/1187945421.db2.gz KJAYPCSQCXXYAC-YLJYHZDGSA-N 2 2 380.533 0.641 20 0 GCADLP CC[C@]1(C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344777 1187945424 /nfs/dbraw/zinc/94/54/24/1187945424.db2.gz KJAYPCSQCXXYAC-YLJYHZDGSA-N 2 2 380.533 0.641 20 0 GCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345054 1187945591 /nfs/dbraw/zinc/94/55/91/1187945591.db2.gz VRMHIKUHLRQYKK-HKUYNNGSSA-N 3 2 393.576 0.602 20 0 GCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345054 1187945592 /nfs/dbraw/zinc/94/55/92/1187945592.db2.gz VRMHIKUHLRQYKK-HKUYNNGSSA-N 3 2 393.576 0.602 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344796 1187945903 /nfs/dbraw/zinc/94/59/03/1187945903.db2.gz KVPRJRITFFEGSP-ZWKOTPCHSA-N 3 2 379.549 0.166 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344796 1187945905 /nfs/dbraw/zinc/94/59/05/1187945905.db2.gz KVPRJRITFFEGSP-ZWKOTPCHSA-N 3 2 379.549 0.166 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C2CC2)O1 ZINC000659344539 1187945957 /nfs/dbraw/zinc/94/59/57/1187945957.db2.gz CLFBNNJZBRXOQT-MNEFBYGVSA-N 2 2 392.544 0.639 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C2CC2)O1 ZINC000659344539 1187945959 /nfs/dbraw/zinc/94/59/59/1187945959.db2.gz CLFBNNJZBRXOQT-MNEFBYGVSA-N 2 2 392.544 0.639 20 0 GCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344577 1187946488 /nfs/dbraw/zinc/94/64/88/1187946488.db2.gz GXNXPBVKHXXTIM-GOSISDBHSA-N 3 2 393.576 0.556 20 0 GCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344577 1187946490 /nfs/dbraw/zinc/94/64/90/1187946490.db2.gz GXNXPBVKHXXTIM-GOSISDBHSA-N 3 2 393.576 0.556 20 0 GCADLP CN(CCOC(C)(C)C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344779 1187946514 /nfs/dbraw/zinc/94/65/14/1187946514.db2.gz KJLMEXRDEZPPML-QGZVFWFLSA-N 2 2 382.549 0.887 20 0 GCADLP CN(CCOC(C)(C)C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344779 1187946515 /nfs/dbraw/zinc/94/65/15/1187946515.db2.gz KJLMEXRDEZPPML-QGZVFWFLSA-N 2 2 382.549 0.887 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000650974609 1187968052 /nfs/dbraw/zinc/96/80/52/1187968052.db2.gz RTAHBVFBJQCUQR-RBUKOAKNSA-N 2 2 398.548 0.354 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659590482 1187974305 /nfs/dbraw/zinc/97/43/05/1187974305.db2.gz LIMJHJVDNSOEEY-GUDVDZBRSA-N 2 2 394.491 0.606 20 0 GCADLP CN(C(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000655468139 1187987764 /nfs/dbraw/zinc/98/77/64/1187987764.db2.gz INDSUBPVWBIRSC-NQIIRXRSSA-N 3 2 391.560 0.073 20 0 GCADLP Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn2cc[nH+]c12 ZINC000415321658 1188031427 /nfs/dbraw/zinc/03/14/27/1188031427.db2.gz AZDJFOHZBUYUES-HNNXBMFYSA-N 2 2 398.467 0.252 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C3CC[NH2+]CC3)cc2)CC1 ZINC000415318350 1188033010 /nfs/dbraw/zinc/03/30/10/1188033010.db2.gz GMFNITMDBYKWHW-UHFFFAOYSA-N 2 2 387.528 0.973 20 0 GCADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000659845537 1188033916 /nfs/dbraw/zinc/03/39/16/1188033916.db2.gz URTDIGSPCUOAJG-SJORKVTESA-N 2 2 389.562 0.359 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000565046721 1188060758 /nfs/dbraw/zinc/06/07/58/1188060758.db2.gz QASXMNJXWZDOIK-NRFANRHFSA-N 3 2 385.556 0.619 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000565046721 1188060760 /nfs/dbraw/zinc/06/07/60/1188060760.db2.gz QASXMNJXWZDOIK-NRFANRHFSA-N 3 2 385.556 0.619 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)cc2)CC1 ZINC000415395781 1188070797 /nfs/dbraw/zinc/07/07/97/1188070797.db2.gz OIYCSQJSBWTGJU-SFHVURJKSA-N 2 2 387.528 0.831 20 0 GCADLP CCCN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000415393224 1188070859 /nfs/dbraw/zinc/07/08/59/1188070859.db2.gz OSWQKKSODHIGAE-LJQANCHMSA-N 2 2 387.528 0.973 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377648412 1188094870 /nfs/dbraw/zinc/09/48/70/1188094870.db2.gz NTAHTICIFAERLZ-MSOLQXFVSA-N 2 2 380.533 0.548 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377648412 1188094873 /nfs/dbraw/zinc/09/48/73/1188094873.db2.gz NTAHTICIFAERLZ-MSOLQXFVSA-N 2 2 380.533 0.548 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000415517405 1188097266 /nfs/dbraw/zinc/09/72/66/1188097266.db2.gz HKKZNUDLVBKRBJ-WMZOPIPTSA-N 2 2 387.528 0.958 20 0 GCADLP CC(C)[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000377740896 1188128902 /nfs/dbraw/zinc/12/89/02/1188128902.db2.gz HLRFVFXYHRFLSR-PKOBYXMFSA-N 2 2 380.533 0.546 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2)CC1 ZINC000415743634 1188156221 /nfs/dbraw/zinc/15/62/21/1188156221.db2.gz OJRRDGYIOUVDOR-VQTJNVASSA-N 2 2 399.539 0.877 20 0 GCADLP COCC(=O)NC1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000613687672 1189427590 /nfs/dbraw/zinc/42/75/90/1189427590.db2.gz HLSLJKADXLWOEW-MRXNPFEDSA-N 2 2 389.500 0.346 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@H](C)O1 ZINC000659897963 1189435554 /nfs/dbraw/zinc/43/55/54/1189435554.db2.gz ALFNFTJJTQRMBM-QKLQHJQFSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@H](C)O1 ZINC000659897963 1189435558 /nfs/dbraw/zinc/43/55/58/1189435558.db2.gz ALFNFTJJTQRMBM-QKLQHJQFSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C[C@H](C)O1 ZINC000659897963 1189435563 /nfs/dbraw/zinc/43/55/63/1189435563.db2.gz ALFNFTJJTQRMBM-QKLQHJQFSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C[C@H](C)O1 ZINC000659897963 1189435567 /nfs/dbraw/zinc/43/55/67/1189435567.db2.gz ALFNFTJJTQRMBM-QKLQHJQFSA-N 2 2 380.533 0.498 20 0 GCADLP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C[NH+]1CCCC1 ZINC000416335034 1189493494 /nfs/dbraw/zinc/49/34/94/1189493494.db2.gz SPYACBUBKNKIEP-QGZVFWFLSA-N 2 2 380.533 0.500 20 0 GCADLP CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000378437373 1189509473 /nfs/dbraw/zinc/50/94/73/1189509473.db2.gz SIIWYQQNUREZMV-MSOLQXFVSA-N 2 2 395.548 0.480 20 0 GCADLP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000363837293 1189515511 /nfs/dbraw/zinc/51/55/11/1189515511.db2.gz XABWKKFNLLLTGT-RBUKOAKNSA-N 2 2 381.565 0.955 20 0 GCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378537357 1189528669 /nfs/dbraw/zinc/52/86/69/1189528669.db2.gz JOCPGVLXOVTGBP-QGZVFWFLSA-N 2 2 397.516 0.090 20 0 GCADLP CC(C)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000363903503 1189561466 /nfs/dbraw/zinc/56/14/66/1189561466.db2.gz LSSDTLCSLCIWGH-HNNXBMFYSA-N 2 2 376.505 0.762 20 0 GCADLP CC(C)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000363903503 1189561470 /nfs/dbraw/zinc/56/14/70/1189561470.db2.gz LSSDTLCSLCIWGH-HNNXBMFYSA-N 2 2 376.505 0.762 20 0 GCADLP COc1ncc(C)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363904555 1189563079 /nfs/dbraw/zinc/56/30/79/1189563079.db2.gz NMTZFSUGJYSWHC-AWEZNQCLSA-N 2 2 375.473 0.622 20 0 GCADLP COc1ncc(C)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363904555 1189563081 /nfs/dbraw/zinc/56/30/81/1189563081.db2.gz NMTZFSUGJYSWHC-AWEZNQCLSA-N 2 2 375.473 0.622 20 0 GCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363906279 1189563531 /nfs/dbraw/zinc/56/35/31/1189563531.db2.gz OIOOUWIEEIZZRG-INIZCTEOSA-N 2 2 388.468 0.696 20 0 GCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363906279 1189563535 /nfs/dbraw/zinc/56/35/35/1189563535.db2.gz OIOOUWIEEIZZRG-INIZCTEOSA-N 2 2 388.468 0.696 20 0 GCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)cc2C1 ZINC000363911484 1189569524 /nfs/dbraw/zinc/56/95/24/1189569524.db2.gz RUJLADFUAJNNJY-SFHVURJKSA-N 2 2 385.512 0.855 20 0 GCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)cc2C1 ZINC000363911484 1189569527 /nfs/dbraw/zinc/56/95/27/1189569527.db2.gz RUJLADFUAJNNJY-SFHVURJKSA-N 2 2 385.512 0.855 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccnn3C(C)(C)C)C2)CC1 ZINC000363910965 1189570893 /nfs/dbraw/zinc/57/08/93/1189570893.db2.gz QVLXUWHAECMSDS-AWEZNQCLSA-N 2 2 376.505 0.861 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccnn3C(C)(C)C)C2)CC1 ZINC000363910965 1189570897 /nfs/dbraw/zinc/57/08/97/1189570897.db2.gz QVLXUWHAECMSDS-AWEZNQCLSA-N 2 2 376.505 0.861 20 0 GCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417079983 1189614443 /nfs/dbraw/zinc/61/44/43/1189614443.db2.gz UBEFTTLAIOHHDY-CQSZACIVSA-N 2 2 388.438 0.897 20 0 GCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417079981 1189615049 /nfs/dbraw/zinc/61/50/49/1189615049.db2.gz UBEFTTLAIOHHDY-AWEZNQCLSA-N 2 2 388.438 0.897 20 0 GCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660176916 1189635671 /nfs/dbraw/zinc/63/56/71/1189635671.db2.gz AARRUXFBIIHXOC-UHFFFAOYSA-N 2 2 380.489 0.085 20 0 GCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660176916 1189635676 /nfs/dbraw/zinc/63/56/76/1189635676.db2.gz AARRUXFBIIHXOC-UHFFFAOYSA-N 2 2 380.489 0.085 20 0 GCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660176926 1189635772 /nfs/dbraw/zinc/63/57/72/1189635772.db2.gz DEQVFXKQFJWEGU-QGZVFWFLSA-N 2 2 392.500 0.493 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417317226 1189643214 /nfs/dbraw/zinc/64/32/14/1189643214.db2.gz HSFRRGSAFKDRHB-SFHVURJKSA-N 2 2 391.516 0.100 20 0 GCADLP [NH3+]C[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000417323192 1189647508 /nfs/dbraw/zinc/64/75/08/1189647508.db2.gz XVGOEQKHGZDHBT-KRWDZBQOSA-N 2 2 378.473 0.267 20 0 GCADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417362666 1189652732 /nfs/dbraw/zinc/65/27/32/1189652732.db2.gz FEFHDUXGYIVMGG-DLBZAZTESA-N 2 2 388.516 0.937 20 0 GCADLP C[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C[NH3+] ZINC000417365551 1189653886 /nfs/dbraw/zinc/65/38/86/1189653886.db2.gz JKNLAISHCVSDFT-DLBZAZTESA-N 2 2 388.516 0.747 20 0 GCADLP C[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C[NH3+] ZINC000417365552 1189653980 /nfs/dbraw/zinc/65/39/80/1189653980.db2.gz JKNLAISHCVSDFT-IAGOWNOFSA-N 2 2 388.516 0.747 20 0 GCADLP C[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C[NH3+])C1 ZINC000417368819 1189654658 /nfs/dbraw/zinc/65/46/58/1189654658.db2.gz PIYOGZCXTSCBLW-SJORKVTESA-N 2 2 388.516 0.889 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000651434088 1189670934 /nfs/dbraw/zinc/67/09/34/1189670934.db2.gz ZHTZHYDFCSGXNF-UHFFFAOYSA-N 2 2 386.500 0.862 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000651434088 1189670937 /nfs/dbraw/zinc/67/09/37/1189670937.db2.gz ZHTZHYDFCSGXNF-UHFFFAOYSA-N 2 2 386.500 0.862 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000431952854 1189680154 /nfs/dbraw/zinc/68/01/54/1189680154.db2.gz LIROUDHKDLFSAR-UHFFFAOYSA-N 2 2 384.440 0.210 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604696 1189688107 /nfs/dbraw/zinc/68/81/07/1189688107.db2.gz VDHPTYZLZDGLFX-RTBURBONSA-N 2 2 375.517 0.133 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417616235 1189689704 /nfs/dbraw/zinc/68/97/04/1189689704.db2.gz DQWITKPNOHPXDU-CVEARBPZSA-N 2 2 391.520 0.565 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417616235 1189689709 /nfs/dbraw/zinc/68/97/09/1189689709.db2.gz DQWITKPNOHPXDU-CVEARBPZSA-N 2 2 391.520 0.565 20 0 GCADLP CC(C)(C[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417621103 1189690187 /nfs/dbraw/zinc/69/01/87/1189690187.db2.gz KENHWKWLEGTNKO-AWEZNQCLSA-N 2 2 377.493 0.319 20 0 GCADLP CC(C)(C[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417621103 1189690190 /nfs/dbraw/zinc/69/01/90/1189690190.db2.gz KENHWKWLEGTNKO-AWEZNQCLSA-N 2 2 377.493 0.319 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000584853033 1189692541 /nfs/dbraw/zinc/69/25/41/1189692541.db2.gz LFSXUBGVBQSJLK-ZWKOTPCHSA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000584853033 1189692548 /nfs/dbraw/zinc/69/25/48/1189692548.db2.gz LFSXUBGVBQSJLK-ZWKOTPCHSA-N 2 2 382.549 0.696 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417627286 1189693044 /nfs/dbraw/zinc/69/30/44/1189693044.db2.gz SIENXEUWEBOIBB-HUUCEWRRSA-N 2 2 377.493 0.176 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417627286 1189693047 /nfs/dbraw/zinc/69/30/47/1189693047.db2.gz SIENXEUWEBOIBB-HUUCEWRRSA-N 2 2 377.493 0.176 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000660260614 1189695125 /nfs/dbraw/zinc/69/51/25/1189695125.db2.gz AGTBDYHUYGCIDI-OKZBNKHCSA-N 2 2 380.533 0.641 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000660260614 1189695129 /nfs/dbraw/zinc/69/51/29/1189695129.db2.gz AGTBDYHUYGCIDI-OKZBNKHCSA-N 2 2 380.533 0.641 20 0 GCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000128514150 1189781465 /nfs/dbraw/zinc/78/14/65/1189781465.db2.gz HFXRHCSRZKSNPQ-QZTJIDSGSA-N 2 2 389.548 0.970 20 0 GCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000128514150 1189781469 /nfs/dbraw/zinc/78/14/69/1189781469.db2.gz HFXRHCSRZKSNPQ-QZTJIDSGSA-N 2 2 389.548 0.970 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000128513893 1189781724 /nfs/dbraw/zinc/78/17/24/1189781724.db2.gz HFXRHCSRZKSNPQ-MSOLQXFVSA-N 2 2 389.548 0.970 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000128513893 1189781729 /nfs/dbraw/zinc/78/17/29/1189781729.db2.gz HFXRHCSRZKSNPQ-MSOLQXFVSA-N 2 2 389.548 0.970 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)CC1 ZINC000418511469 1189809444 /nfs/dbraw/zinc/80/94/44/1189809444.db2.gz JOTTUXIOVWMSON-UHFFFAOYSA-N 2 2 375.464 0.556 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000431983932 1189827947 /nfs/dbraw/zinc/82/79/47/1189827947.db2.gz FVOHWBZTOPXERH-INIZCTEOSA-N 2 2 375.473 0.622 20 0 GCADLP CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000468792039 1189839860 /nfs/dbraw/zinc/83/98/60/1189839860.db2.gz CHVLLQKPBWYQAU-RHSMWYFYSA-N 2 2 388.578 0.625 20 0 GCADLP CN(C(=O)CCc1ccccn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041250 1189843910 /nfs/dbraw/zinc/84/39/10/1189843910.db2.gz IWLFDKKFQGNDPE-UHFFFAOYSA-N 2 2 387.528 0.711 20 0 GCADLP CN(C(=O)c1cnc2sccn2c1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479337 1189852636 /nfs/dbraw/zinc/85/26/36/1189852636.db2.gz XDNBHRBDLCACHI-AWEZNQCLSA-N 2 2 375.498 0.997 20 0 GCADLP CN(C(=O)c1cnc2sccn2c1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479337 1189852641 /nfs/dbraw/zinc/85/26/41/1189852641.db2.gz XDNBHRBDLCACHI-AWEZNQCLSA-N 2 2 375.498 0.997 20 0 GCADLP CCCCn1nccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364760423 1189870658 /nfs/dbraw/zinc/87/06/58/1189870658.db2.gz VRSDXDIQDCGJAK-HNNXBMFYSA-N 2 2 376.505 0.906 20 0 GCADLP CCCCn1nccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364760423 1189870669 /nfs/dbraw/zinc/87/06/69/1189870669.db2.gz VRSDXDIQDCGJAK-HNNXBMFYSA-N 2 2 376.505 0.906 20 0 GCADLP COC(=O)COC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000295199513 1189883173 /nfs/dbraw/zinc/88/31/73/1189883173.db2.gz OXDQJXTUWHNUCG-CVEARBPZSA-N 2 2 393.488 0.450 20 0 GCADLP C[N@H+](CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CC1 ZINC000636613911 1189892920 /nfs/dbraw/zinc/89/29/20/1189892920.db2.gz QHBRXEAKWWRDQM-UHFFFAOYSA-N 2 2 377.514 0.461 20 0 GCADLP C[N@@H+](CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CC1 ZINC000636613911 1189892924 /nfs/dbraw/zinc/89/29/24/1189892924.db2.gz QHBRXEAKWWRDQM-UHFFFAOYSA-N 2 2 377.514 0.461 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511856686 1189911463 /nfs/dbraw/zinc/91/14/63/1189911463.db2.gz ZBMUPLTYFCLAOS-QGZVFWFLSA-N 2 2 375.517 0.970 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511856686 1189911466 /nfs/dbraw/zinc/91/14/66/1189911466.db2.gz ZBMUPLTYFCLAOS-QGZVFWFLSA-N 2 2 375.517 0.970 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511856684 1189911635 /nfs/dbraw/zinc/91/16/35/1189911635.db2.gz ZBMUPLTYFCLAOS-KRWDZBQOSA-N 2 2 375.517 0.970 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511856684 1189911638 /nfs/dbraw/zinc/91/16/38/1189911638.db2.gz ZBMUPLTYFCLAOS-KRWDZBQOSA-N 2 2 375.517 0.970 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000975245562 1189932551 /nfs/dbraw/zinc/93/25/51/1189932551.db2.gz IHAKFBXRTWOLMD-YWTNHNAXSA-N 2 2 385.512 0.925 20 0 GCADLP CC(C)C[NH2+]C1(CO)CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000660690449 1189935205 /nfs/dbraw/zinc/93/52/05/1189935205.db2.gz BYQNQCZDVOMTCO-UHFFFAOYSA-N 2 2 384.565 0.286 20 0 GCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)[nH+]c12 ZINC000668958061 1189964630 /nfs/dbraw/zinc/96/46/30/1189964630.db2.gz RAHXDBNEURXFDD-SFHVURJKSA-N 2 2 399.495 0.671 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC000975719525 1189966935 /nfs/dbraw/zinc/96/69/35/1189966935.db2.gz KKAZQQLFXZSJPX-LAVFITLUSA-N 2 2 389.500 0.360 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC000975719525 1189966940 /nfs/dbraw/zinc/96/69/40/1189966940.db2.gz KKAZQQLFXZSJPX-LAVFITLUSA-N 2 2 389.500 0.360 20 0 GCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662732215 1190012682 /nfs/dbraw/zinc/01/26/82/1190012682.db2.gz ORRSJPQGICALJH-LZLYRXPVSA-N 2 2 376.505 0.966 20 0 GCADLP CN(C(=O)[C@H]1[NH2+]CCC1(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662792709 1190031860 /nfs/dbraw/zinc/03/18/60/1190031860.db2.gz XOGUZBJDZHBSNZ-GOSISDBHSA-N 3 2 379.549 0.071 20 0 GCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662846537 1190051804 /nfs/dbraw/zinc/05/18/04/1190051804.db2.gz RBLVIEQRTWMDEV-OALUTQOASA-N 2 2 392.544 0.405 20 0 GCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000332967589 1193734433 /nfs/dbraw/zinc/73/44/33/1193734433.db2.gz XBDMBBLBUSHUHA-SJORKVTESA-N 2 2 378.517 0.491 20 0 GCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000332967589 1193734436 /nfs/dbraw/zinc/73/44/36/1193734436.db2.gz XBDMBBLBUSHUHA-SJORKVTESA-N 2 2 378.517 0.491 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419247961 1193763929 /nfs/dbraw/zinc/76/39/29/1193763929.db2.gz XNQALBGZUDPBPN-IPYPFGDCSA-N 2 2 394.541 0.840 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419247961 1193763933 /nfs/dbraw/zinc/76/39/33/1193763933.db2.gz XNQALBGZUDPBPN-IPYPFGDCSA-N 2 2 394.541 0.840 20 0 GCADLP CC(C)OC[C@H](CO)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000433153090 1193767325 /nfs/dbraw/zinc/76/73/25/1193767325.db2.gz OFQGHRVLCUOVHR-SFHVURJKSA-N 2 2 385.549 0.855 20 0 GCADLP CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000433153090 1193767328 /nfs/dbraw/zinc/76/73/28/1193767328.db2.gz OFQGHRVLCUOVHR-SFHVURJKSA-N 2 2 385.549 0.855 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433177044 1193774944 /nfs/dbraw/zinc/77/49/44/1193774944.db2.gz PPBZBUKJBPWGOQ-UHFFFAOYSA-N 3 2 386.504 0.215 20 0 GCADLP Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)[nH+]c1 ZINC000419302241 1193795818 /nfs/dbraw/zinc/79/58/18/1193795818.db2.gz POAFLFSLXOUAOK-HOCLYGCPSA-N 2 2 389.500 0.704 20 0 GCADLP [NH3+]CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000263260369 1193820944 /nfs/dbraw/zinc/82/09/44/1193820944.db2.gz GHJHJQRZPIYXIQ-HNNXBMFYSA-N 2 2 376.457 0.143 20 0 GCADLP Cn1ccnc1[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129326 1193856967 /nfs/dbraw/zinc/85/69/67/1193856967.db2.gz FEOWXOOWELQFBC-DOTOQJQBSA-N 2 2 392.548 0.947 20 0 GCADLP Cn1ccnc1[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129326 1193856969 /nfs/dbraw/zinc/85/69/69/1193856969.db2.gz FEOWXOOWELQFBC-DOTOQJQBSA-N 2 2 392.548 0.947 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382603 1193888669 /nfs/dbraw/zinc/88/86/69/1193888669.db2.gz DPLXJEFSBKJXIN-BRWVUGGUSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382603 1193888673 /nfs/dbraw/zinc/88/86/73/1193888673.db2.gz DPLXJEFSBKJXIN-BRWVUGGUSA-N 2 2 394.903 0.696 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCO[C@H]3C3CC3)CC2)CC1 ZINC000582138720 1193891115 /nfs/dbraw/zinc/89/11/15/1193891115.db2.gz ZFDQLGZJLBPZLO-MSOLQXFVSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)CC1 ZINC000582138721 1193891430 /nfs/dbraw/zinc/89/14/30/1193891430.db2.gz ZFDQLGZJLBPZLO-QZTJIDSGSA-N 2 2 378.517 0.345 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385159 1193894219 /nfs/dbraw/zinc/89/42/19/1193894219.db2.gz HJASHRYLPJDFOP-ARFHVFGLSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385159 1193894220 /nfs/dbraw/zinc/89/42/20/1193894220.db2.gz HJASHRYLPJDFOP-ARFHVFGLSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385169 1193894415 /nfs/dbraw/zinc/89/44/15/1193894415.db2.gz HJASHRYLPJDFOP-OWCLPIDISA-N 2 2 380.876 0.388 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385169 1193894424 /nfs/dbraw/zinc/89/44/24/1193894424.db2.gz HJASHRYLPJDFOP-OWCLPIDISA-N 2 2 380.876 0.388 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392501 1193918795 /nfs/dbraw/zinc/91/87/95/1193918795.db2.gz OLCMTQKQGMBANZ-IKGGRYGDSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392501 1193918798 /nfs/dbraw/zinc/91/87/98/1193918798.db2.gz OLCMTQKQGMBANZ-IKGGRYGDSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000419392470 1193918885 /nfs/dbraw/zinc/91/88/85/1193918885.db2.gz OJFIGDFHODZROZ-IKGGRYGDSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000419392470 1193918887 /nfs/dbraw/zinc/91/88/87/1193918887.db2.gz OJFIGDFHODZROZ-IKGGRYGDSA-N 2 2 394.903 0.696 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419394330 1193920695 /nfs/dbraw/zinc/92/06/95/1193920695.db2.gz RXZUCSHUYMYZLZ-CVEARBPZSA-N 2 2 382.892 0.554 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419394330 1193920698 /nfs/dbraw/zinc/92/06/98/1193920698.db2.gz RXZUCSHUYMYZLZ-CVEARBPZSA-N 2 2 382.892 0.554 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419394490 1193920707 /nfs/dbraw/zinc/92/07/07/1193920707.db2.gz SHYQXSZVVPETBT-SJORKVTESA-N 2 2 394.903 0.650 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419394490 1193920709 /nfs/dbraw/zinc/92/07/09/1193920709.db2.gz SHYQXSZVVPETBT-SJORKVTESA-N 2 2 394.903 0.650 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419394331 1193920910 /nfs/dbraw/zinc/92/09/10/1193920910.db2.gz RXZUCSHUYMYZLZ-HOTGVXAUSA-N 2 2 382.892 0.554 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419394331 1193920911 /nfs/dbraw/zinc/92/09/11/1193920911.db2.gz RXZUCSHUYMYZLZ-HOTGVXAUSA-N 2 2 382.892 0.554 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433571589 1193921136 /nfs/dbraw/zinc/92/11/36/1193921136.db2.gz PRIJTWLGBHAEDO-GOSISDBHSA-N 2 2 387.532 0.915 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433571589 1193921139 /nfs/dbraw/zinc/92/11/39/1193921139.db2.gz PRIJTWLGBHAEDO-GOSISDBHSA-N 2 2 387.532 0.915 20 0 GCADLP Cc1cc(N2CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000261969400 1193933928 /nfs/dbraw/zinc/93/39/28/1193933928.db2.gz BGJIDFQQXURPQB-KRWDZBQOSA-N 2 2 376.505 0.657 20 0 GCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]1 ZINC000262362720 1193946230 /nfs/dbraw/zinc/94/62/30/1193946230.db2.gz IXGAMCNABJQMAM-ULQDDVLXSA-N 2 2 388.516 0.786 20 0 GCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]1 ZINC000262362720 1193946232 /nfs/dbraw/zinc/94/62/32/1193946232.db2.gz IXGAMCNABJQMAM-ULQDDVLXSA-N 2 2 388.516 0.786 20 0 GCADLP C[NH2+][C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1cnn(C)c1 ZINC000262595530 1193952320 /nfs/dbraw/zinc/95/23/20/1193952320.db2.gz WZGWDFRGEPLMQH-IBGZPJMESA-N 2 2 384.484 0.900 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[NH+]1CCOCC1 ZINC000549940898 1193965391 /nfs/dbraw/zinc/96/53/91/1193965391.db2.gz NBRYFGIUMAWMON-QGZVFWFLSA-N 2 2 382.549 0.840 20 0 GCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000500987811 1194019864 /nfs/dbraw/zinc/01/98/64/1194019864.db2.gz GLOVWBSPLCRXJH-HOTGVXAUSA-N 2 2 383.537 0.338 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419414442 1194031141 /nfs/dbraw/zinc/03/11/41/1194031141.db2.gz MCLAWHCKNPKYCW-QXAKKESOSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419414442 1194031147 /nfs/dbraw/zinc/03/11/47/1194031147.db2.gz MCLAWHCKNPKYCW-QXAKKESOSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419414443 1194031435 /nfs/dbraw/zinc/03/14/35/1194031435.db2.gz MCLAWHCKNPKYCW-UHOSZYNNSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419414443 1194031441 /nfs/dbraw/zinc/03/14/41/1194031441.db2.gz MCLAWHCKNPKYCW-UHOSZYNNSA-N 2 2 388.512 0.603 20 0 GCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419505167 1194047374 /nfs/dbraw/zinc/04/73/74/1194047374.db2.gz LEBHISLIBUISQT-GOSISDBHSA-N 2 2 391.491 0.404 20 0 GCADLP CN(C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000419486813 1194049269 /nfs/dbraw/zinc/04/92/69/1194049269.db2.gz AGMZVFMJDRIMJT-UHFFFAOYSA-N 2 2 391.491 0.274 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511885 1194049948 /nfs/dbraw/zinc/04/99/48/1194049948.db2.gz WJWQSZBTKPCQMP-SQNIBIBYSA-N 2 2 387.528 0.522 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH3+] ZINC000419512905 1194050943 /nfs/dbraw/zinc/05/09/43/1194050943.db2.gz YDHLRIQMBRYCGJ-CRAIPNDOSA-N 2 2 391.491 0.260 20 0 GCADLP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000419656378 1194074663 /nfs/dbraw/zinc/07/46/63/1194074663.db2.gz UEPFEHRXEFCYRU-FUHWJXTLSA-N 2 2 389.500 0.745 20 0 GCADLP COc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)ccc1OCC[NH+](C)C ZINC000419693052 1194086358 /nfs/dbraw/zinc/08/63/58/1194086358.db2.gz HYSTYEAIPJBXHB-CQSZACIVSA-N 2 2 378.473 0.737 20 0 GCADLP COc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1OCC[NH+](C)C ZINC000419693052 1194086361 /nfs/dbraw/zinc/08/63/61/1194086361.db2.gz HYSTYEAIPJBXHB-CQSZACIVSA-N 2 2 378.473 0.737 20 0 GCADLP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000419846349 1194113843 /nfs/dbraw/zinc/11/38/43/1194113843.db2.gz HDTODMHKWWJITC-SFHVURJKSA-N 2 2 383.452 0.752 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000419829265 1194115433 /nfs/dbraw/zinc/11/54/33/1194115433.db2.gz SRZXCPDWBFXDRN-IKGGRYGDSA-N 2 2 388.512 0.732 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419904105 1194137293 /nfs/dbraw/zinc/13/72/93/1194137293.db2.gz PJKZIGRBIFAYFP-NEWSRXKRSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419904105 1194137296 /nfs/dbraw/zinc/13/72/96/1194137296.db2.gz PJKZIGRBIFAYFP-NEWSRXKRSA-N 3 2 393.576 0.650 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419964235 1194148517 /nfs/dbraw/zinc/14/85/17/1194148517.db2.gz WZODVKCWBZBCON-NJAFHUGGSA-N 3 2 381.565 0.493 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419964235 1194148523 /nfs/dbraw/zinc/14/85/23/1194148523.db2.gz WZODVKCWBZBCON-NJAFHUGGSA-N 3 2 381.565 0.493 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000419981092 1194152007 /nfs/dbraw/zinc/15/20/07/1194152007.db2.gz RQQLTUURZSVMLM-AWEZNQCLSA-N 2 2 376.505 0.529 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420022160 1194157785 /nfs/dbraw/zinc/15/77/85/1194157785.db2.gz VEVWZUIQMXOTFA-DLBZAZTESA-N 2 2 395.548 0.023 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420022160 1194157787 /nfs/dbraw/zinc/15/77/87/1194157787.db2.gz VEVWZUIQMXOTFA-DLBZAZTESA-N 2 2 395.548 0.023 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420027634 1194159586 /nfs/dbraw/zinc/15/95/86/1194159586.db2.gz DAOXRRODLODCRC-MTSZKFMLSA-N 2 2 396.532 0.316 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420046367 1194168222 /nfs/dbraw/zinc/16/82/22/1194168222.db2.gz AAOGJNJDFBJKGB-DLBZAZTESA-N 3 2 381.565 0.636 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420046367 1194168224 /nfs/dbraw/zinc/16/82/24/1194168224.db2.gz AAOGJNJDFBJKGB-DLBZAZTESA-N 3 2 381.565 0.636 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420074836 1194173159 /nfs/dbraw/zinc/17/31/59/1194173159.db2.gz ZYFPCQBLRPZDGY-SJLPKXTDSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420074837 1194173263 /nfs/dbraw/zinc/17/32/63/1194173263.db2.gz ZYFPCQBLRPZDGY-WMZOPIPTSA-N 2 2 388.512 0.603 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420084512 1194174299 /nfs/dbraw/zinc/17/42/99/1194174299.db2.gz ABKOXTUYQZTDHU-ROUUACIJSA-N 3 2 393.576 0.780 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420084512 1194174302 /nfs/dbraw/zinc/17/43/02/1194174302.db2.gz ABKOXTUYQZTDHU-ROUUACIJSA-N 3 2 393.576 0.780 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000420083577 1194174603 /nfs/dbraw/zinc/17/46/03/1194174603.db2.gz TZESLHYTUAZBCF-UHFFFAOYSA-N 2 2 383.537 0.023 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000420083577 1194174606 /nfs/dbraw/zinc/17/46/06/1194174606.db2.gz TZESLHYTUAZBCF-UHFFFAOYSA-N 2 2 383.537 0.023 20 0 GCADLP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420088343 1194175519 /nfs/dbraw/zinc/17/55/19/1194175519.db2.gz DNPXCDJMJHOWGI-YJBOKZPZSA-N 2 2 392.450 0.833 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000420109279 1194180826 /nfs/dbraw/zinc/18/08/26/1194180826.db2.gz YUNPVYOXFAYFCH-RHSMWYFYSA-N 2 2 380.439 0.691 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000420134808 1194184047 /nfs/dbraw/zinc/18/40/47/1194184047.db2.gz UZWJCXNJMQZIMT-GOEBONIOSA-N 2 2 388.516 0.814 20 0 GCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420182077 1194197216 /nfs/dbraw/zinc/19/72/16/1194197216.db2.gz YSRPIIPUZCJMNC-UHFFFAOYSA-N 2 2 376.448 0.048 20 0 GCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NCCOc3cccc(F)c3)C2)nn1 ZINC000420386546 1194226104 /nfs/dbraw/zinc/22/61/04/1194226104.db2.gz UYRVIDQYVNZIPF-MRXNPFEDSA-N 2 2 376.436 0.708 20 0 GCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NCCOc3cccc(F)c3)C2)nn1 ZINC000420386546 1194226106 /nfs/dbraw/zinc/22/61/06/1194226106.db2.gz UYRVIDQYVNZIPF-MRXNPFEDSA-N 2 2 376.436 0.708 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000420802507 1194264885 /nfs/dbraw/zinc/26/48/85/1194264885.db2.gz SCCDBXGQUVOWLD-UHFFFAOYSA-N 2 2 398.548 0.173 20 0 GCADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)CC2)CC1 ZINC000421016323 1194284378 /nfs/dbraw/zinc/28/43/78/1194284378.db2.gz USEQFVUHEJONPC-MRXNPFEDSA-N 2 2 383.537 0.339 20 0 GCADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)CC2)CC1 ZINC000421016323 1194284384 /nfs/dbraw/zinc/28/43/84/1194284384.db2.gz USEQFVUHEJONPC-MRXNPFEDSA-N 2 2 383.537 0.339 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421226501 1194312029 /nfs/dbraw/zinc/31/20/29/1194312029.db2.gz ORWVDTKSWDPLOS-MSOLQXFVSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421226501 1194312036 /nfs/dbraw/zinc/31/20/36/1194312036.db2.gz ORWVDTKSWDPLOS-MSOLQXFVSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000421228531 1194312969 /nfs/dbraw/zinc/31/29/69/1194312969.db2.gz RNCJCAPQPXVLIQ-DAWZGUTISA-N 2 2 382.549 0.839 20 0 GCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000502836085 1194361616 /nfs/dbraw/zinc/36/16/16/1194361616.db2.gz NFQHVXFIODXYEU-RTBURBONSA-N 2 2 388.512 0.639 20 0 GCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000502836084 1194361848 /nfs/dbraw/zinc/36/18/48/1194361848.db2.gz NFQHVXFIODXYEU-RBUKOAKNSA-N 2 2 388.512 0.639 20 0 GCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983105439 1194472598 /nfs/dbraw/zinc/47/25/98/1194472598.db2.gz OTSAKOOKDYWHMS-BRSBDYLESA-N 2 2 391.516 0.593 20 0 GCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983105439 1194472600 /nfs/dbraw/zinc/47/26/00/1194472600.db2.gz OTSAKOOKDYWHMS-BRSBDYLESA-N 2 2 391.516 0.593 20 0 GCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000647924253 1194517076 /nfs/dbraw/zinc/51/70/76/1194517076.db2.gz RSOQQLZUJQNQKF-UHFFFAOYSA-N 2 2 398.504 0.472 20 0 GCADLP C[C@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1=CC[N@H+](C)CC1 ZINC000272968009 1194525351 /nfs/dbraw/zinc/52/53/51/1194525351.db2.gz OCXDIKRYPBCKTM-AWEZNQCLSA-N 2 2 384.488 0.845 20 0 GCADLP C[C@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1=CC[N@@H+](C)CC1 ZINC000272968009 1194525354 /nfs/dbraw/zinc/52/53/54/1194525354.db2.gz OCXDIKRYPBCKTM-AWEZNQCLSA-N 2 2 384.488 0.845 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000422256808 1194594879 /nfs/dbraw/zinc/59/48/79/1194594879.db2.gz GHIINVGTVRJPHR-IRXDYDNUSA-N 2 2 398.548 0.029 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000422256808 1194594880 /nfs/dbraw/zinc/59/48/80/1194594880.db2.gz GHIINVGTVRJPHR-IRXDYDNUSA-N 2 2 398.548 0.029 20 0 GCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000422276597 1194598630 /nfs/dbraw/zinc/59/86/30/1194598630.db2.gz FJUKXTRBJAIJOG-UHFFFAOYSA-N 2 2 398.548 0.173 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000422281706 1194599907 /nfs/dbraw/zinc/59/99/07/1194599907.db2.gz YCIIXFILMBXTJK-KRWDZBQOSA-N 2 2 398.548 0.029 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000422281706 1194599910 /nfs/dbraw/zinc/59/99/10/1194599910.db2.gz YCIIXFILMBXTJK-KRWDZBQOSA-N 2 2 398.548 0.029 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000503270634 1194611757 /nfs/dbraw/zinc/61/17/57/1194611757.db2.gz TXKVCEROLVPHSX-QGZVFWFLSA-N 2 2 383.537 0.243 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000422358601 1194627570 /nfs/dbraw/zinc/62/75/70/1194627570.db2.gz CATXQNRYAWZWOK-UHFFFAOYSA-N 2 2 398.548 0.030 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000422400794 1194628642 /nfs/dbraw/zinc/62/86/42/1194628642.db2.gz BTYADBRREIRUES-QGZVFWFLSA-N 2 2 398.548 0.173 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000503349705 1194641790 /nfs/dbraw/zinc/64/17/90/1194641790.db2.gz WZDVVULLRDLZMX-UHFFFAOYSA-N 2 2 383.518 0.551 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000503349705 1194641794 /nfs/dbraw/zinc/64/17/94/1194641794.db2.gz WZDVVULLRDLZMX-UHFFFAOYSA-N 2 2 383.518 0.551 20 0 GCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1C[NH3+] ZINC000422633881 1194679283 /nfs/dbraw/zinc/67/92/83/1194679283.db2.gz IYSWEPJWHGLUNK-IPYPFGDCSA-N 2 2 380.514 0.528 20 0 GCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1C[NH3+] ZINC000422633881 1194679286 /nfs/dbraw/zinc/67/92/86/1194679286.db2.gz IYSWEPJWHGLUNK-IPYPFGDCSA-N 2 2 380.514 0.528 20 0 GCADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1c[nH+]ccc1N ZINC000422712454 1194691359 /nfs/dbraw/zinc/69/13/59/1194691359.db2.gz OFVJGSPSRFRVGQ-HNNXBMFYSA-N 2 2 390.513 0.692 20 0 GCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000422725445 1194695078 /nfs/dbraw/zinc/69/50/78/1194695078.db2.gz YAIUFIVGYZFNDO-RBUKOAKNSA-N 2 2 377.485 0.781 20 0 GCADLP O=C1CCc2cc(OC[C@H](O)C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)ccc2N1 ZINC000422905798 1194706240 /nfs/dbraw/zinc/70/62/40/1194706240.db2.gz SVEBSZSFKJSEIZ-BPAFIMBUSA-N 2 2 375.469 0.668 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000549963647 1194715080 /nfs/dbraw/zinc/71/50/80/1194715080.db2.gz GVQZHSZCTQEULM-QGZVFWFLSA-N 2 2 376.501 0.321 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423009512 1194716964 /nfs/dbraw/zinc/71/69/64/1194716964.db2.gz DBHANADUVYMIKX-FQEVSTJZSA-N 2 2 399.539 0.145 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000503814119 1194718896 /nfs/dbraw/zinc/71/88/96/1194718896.db2.gz KIGXUPCQQGCLSH-BBWFWOEESA-N 2 2 380.533 0.401 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000503814119 1194718898 /nfs/dbraw/zinc/71/88/98/1194718898.db2.gz KIGXUPCQQGCLSH-BBWFWOEESA-N 2 2 380.533 0.401 20 0 GCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000423203080 1194739254 /nfs/dbraw/zinc/73/92/54/1194739254.db2.gz BXVVVWDLJBYCKZ-INIZCTEOSA-N 2 2 389.500 0.172 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423323052 1194749057 /nfs/dbraw/zinc/74/90/57/1194749057.db2.gz JIVXJXQNXRABGU-SOLBZPMBSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423323052 1194749059 /nfs/dbraw/zinc/74/90/59/1194749059.db2.gz JIVXJXQNXRABGU-SOLBZPMBSA-N 2 2 380.533 0.402 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423368466 1194751545 /nfs/dbraw/zinc/75/15/45/1194751545.db2.gz NFROASFWYMERCJ-QZTJIDSGSA-N 2 2 380.533 0.404 20 0 GCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423370735 1194751589 /nfs/dbraw/zinc/75/15/89/1194751589.db2.gz PVOKBYBVKLPDOR-HDICACEKSA-N 2 2 385.512 0.824 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423528518 1194761039 /nfs/dbraw/zinc/76/10/39/1194761039.db2.gz NKDDLLNERRLJBB-RBUKOAKNSA-N 3 2 395.592 0.850 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423528518 1194761041 /nfs/dbraw/zinc/76/10/41/1194761041.db2.gz NKDDLLNERRLJBB-RBUKOAKNSA-N 3 2 395.592 0.850 20 0 GCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517684 1194762175 /nfs/dbraw/zinc/76/21/75/1194762175.db2.gz OFQDXRKDUWVIHA-WMZOPIPTSA-N 3 2 397.589 0.471 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000423609053 1194772877 /nfs/dbraw/zinc/77/28/77/1194772877.db2.gz OKNXXKGRCYAYRK-INIZCTEOSA-N 2 2 388.516 0.897 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)[C@@H](C)C[NH2+]1 ZINC000423634940 1194776076 /nfs/dbraw/zinc/77/60/76/1194776076.db2.gz QZTUBISYGCPTNH-KGLIPLIRSA-N 2 2 394.438 0.308 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)[C@H](C)C[NH2+]1 ZINC000423634942 1194776282 /nfs/dbraw/zinc/77/62/82/1194776282.db2.gz QZTUBISYGCPTNH-ZIAGYGMSSA-N 2 2 394.438 0.308 20 0 GCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)cc1 ZINC000423663996 1194781183 /nfs/dbraw/zinc/78/11/83/1194781183.db2.gz DXDWZJLSNKFMLO-OALUTQOASA-N 2 2 388.512 0.245 20 0 GCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423699064 1194783481 /nfs/dbraw/zinc/78/34/81/1194783481.db2.gz OWSVDKUDAKNACM-GOSISDBHSA-N 2 2 386.496 0.722 20 0 GCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000423701283 1194783856 /nfs/dbraw/zinc/78/38/56/1194783856.db2.gz VHZLSLXWUHEFJW-SFHVURJKSA-N 2 2 388.512 0.968 20 0 GCADLP COC(=O)CC1CC([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000424266455 1194807074 /nfs/dbraw/zinc/80/70/74/1194807074.db2.gz LAYKLNCBNPXRMF-UHFFFAOYSA-N 2 2 396.513 0.465 20 0 GCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000424461242 1194813397 /nfs/dbraw/zinc/81/33/97/1194813397.db2.gz CULDBGFIRFQCSR-UHFFFAOYSA-N 3 2 375.517 0.877 20 0 GCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000424461242 1194813400 /nfs/dbraw/zinc/81/34/00/1194813400.db2.gz CULDBGFIRFQCSR-UHFFFAOYSA-N 3 2 375.517 0.877 20 0 GCADLP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424491518 1194816545 /nfs/dbraw/zinc/81/65/45/1194816545.db2.gz DSFNXJSDAHTZEX-QGZVFWFLSA-N 3 2 393.576 0.461 20 0 GCADLP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424491518 1194816546 /nfs/dbraw/zinc/81/65/46/1194816546.db2.gz DSFNXJSDAHTZEX-QGZVFWFLSA-N 3 2 393.576 0.461 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1F ZINC000424539671 1194821647 /nfs/dbraw/zinc/82/16/47/1194821647.db2.gz CTALTEIXVWRVDB-CQSZACIVSA-N 2 2 386.418 0.865 20 0 GCADLP CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000647938256 1194835349 /nfs/dbraw/zinc/83/53/49/1194835349.db2.gz IUZUTVKUKCOOLJ-MJGOQNOKSA-N 2 2 388.512 0.834 20 0 GCADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000647938256 1194835352 /nfs/dbraw/zinc/83/53/52/1194835352.db2.gz IUZUTVKUKCOOLJ-MJGOQNOKSA-N 2 2 388.512 0.834 20 0 GCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000434673402 1194859378 /nfs/dbraw/zinc/85/93/78/1194859378.db2.gz FEGLQJYROLZDTD-UHFFFAOYSA-N 2 2 395.891 0.473 20 0 GCADLP C[C@H](CN1CCOCC1)[NH+](C)CC1(C[N@@H+](C)[C@H](C)CN2CCOCC2)COC1 ZINC000434715352 1194862272 /nfs/dbraw/zinc/86/22/72/1194862272.db2.gz XWZNBMAUJBEDNJ-WOJBJXKFSA-N 2 2 398.592 0.308 20 0 GCADLP C[C@H](CN1CCOCC1)[NH+](C)CC1(C[N@H+](C)[C@H](C)CN2CCOCC2)COC1 ZINC000434715352 1194862273 /nfs/dbraw/zinc/86/22/73/1194862273.db2.gz XWZNBMAUJBEDNJ-WOJBJXKFSA-N 2 2 398.592 0.308 20 0 GCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000514673136 1194893504 /nfs/dbraw/zinc/89/35/04/1194893504.db2.gz QVMKASKMBORGED-CYBMUJFWSA-N 2 2 396.438 0.707 20 0 GCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000514673136 1194893507 /nfs/dbraw/zinc/89/35/07/1194893507.db2.gz QVMKASKMBORGED-CYBMUJFWSA-N 2 2 396.438 0.707 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283247172 1194911767 /nfs/dbraw/zinc/91/17/67/1194911767.db2.gz DECXCMZWTKIATH-SFHVURJKSA-N 2 2 384.484 0.907 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283247172 1194911770 /nfs/dbraw/zinc/91/17/70/1194911770.db2.gz DECXCMZWTKIATH-SFHVURJKSA-N 2 2 384.484 0.907 20 0 GCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000514860277 1194921761 /nfs/dbraw/zinc/92/17/61/1194921761.db2.gz MXSCKAMMKUWHGS-OALUTQOASA-N 2 2 384.484 0.801 20 0 GCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000514860277 1194921763 /nfs/dbraw/zinc/92/17/63/1194921763.db2.gz MXSCKAMMKUWHGS-OALUTQOASA-N 2 2 384.484 0.801 20 0 GCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1 ZINC000505695825 1194933026 /nfs/dbraw/zinc/93/30/26/1194933026.db2.gz QNJLWQSFKLCUHX-XLIONFOSSA-N 2 2 378.517 0.111 20 0 GCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1 ZINC000505695825 1194933027 /nfs/dbraw/zinc/93/30/27/1194933027.db2.gz QNJLWQSFKLCUHX-XLIONFOSSA-N 2 2 378.517 0.111 20 0 GCADLP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000515054127 1194942264 /nfs/dbraw/zinc/94/22/64/1194942264.db2.gz DXLXQBIMZCRLMR-GOSISDBHSA-N 2 2 396.495 0.532 20 0 GCADLP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000515054127 1194942266 /nfs/dbraw/zinc/94/22/66/1194942266.db2.gz DXLXQBIMZCRLMR-GOSISDBHSA-N 2 2 396.495 0.532 20 0 GCADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436060703 1194982927 /nfs/dbraw/zinc/98/29/27/1194982927.db2.gz FUJZBCXTQCLESZ-QGZVFWFLSA-N 2 2 389.500 0.646 20 0 GCADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436060703 1194982928 /nfs/dbraw/zinc/98/29/28/1194982928.db2.gz FUJZBCXTQCLESZ-QGZVFWFLSA-N 2 2 389.500 0.646 20 0 GCADLP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436062148 1194982971 /nfs/dbraw/zinc/98/29/71/1194982971.db2.gz VGSAYVSHNJMTHQ-OAHLLOKOSA-N 2 2 383.514 0.788 20 0 GCADLP CS(=O)(=O)c1ccc(OCC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436062148 1194982973 /nfs/dbraw/zinc/98/29/73/1194982973.db2.gz VGSAYVSHNJMTHQ-OAHLLOKOSA-N 2 2 383.514 0.788 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436063276 1194983448 /nfs/dbraw/zinc/98/34/48/1194983448.db2.gz KLUAOSDGSBOIJP-INIZCTEOSA-N 2 2 382.530 0.756 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436063276 1194983451 /nfs/dbraw/zinc/98/34/51/1194983451.db2.gz KLUAOSDGSBOIJP-INIZCTEOSA-N 2 2 382.530 0.756 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000436063083 1194983565 /nfs/dbraw/zinc/98/35/65/1194983565.db2.gz SXPIDKNJCBIGJZ-HZPDHXFCSA-N 2 2 390.484 0.262 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000436063083 1194983567 /nfs/dbraw/zinc/98/35/67/1194983567.db2.gz SXPIDKNJCBIGJZ-HZPDHXFCSA-N 2 2 390.484 0.262 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983373517 1195038688 /nfs/dbraw/zinc/03/86/88/1195038688.db2.gz UOGREKRETNMONG-MUIFIZLQSA-N 2 2 377.489 0.272 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983373517 1195038692 /nfs/dbraw/zinc/03/86/92/1195038692.db2.gz UOGREKRETNMONG-MUIFIZLQSA-N 2 2 377.489 0.272 20 0 GCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)N3CCN(Cc4ccccc4)CC3)C2)nn1 ZINC000516476845 1195056897 /nfs/dbraw/zinc/05/68/97/1195056897.db2.gz YCUCJZUURSCMJT-HXUWFJFHSA-N 2 2 397.527 0.718 20 0 GCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)N3CCN(Cc4ccccc4)CC3)C2)nn1 ZINC000516476845 1195056899 /nfs/dbraw/zinc/05/68/99/1195056899.db2.gz YCUCJZUURSCMJT-HXUWFJFHSA-N 2 2 397.527 0.718 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000664628821 1195103284 /nfs/dbraw/zinc/10/32/84/1195103284.db2.gz LFPBBSZIVOHJCA-UHFFFAOYSA-N 2 2 399.561 0.620 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664628821 1195103285 /nfs/dbraw/zinc/10/32/85/1195103285.db2.gz LFPBBSZIVOHJCA-UHFFFAOYSA-N 2 2 399.561 0.620 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000425860498 1195137599 /nfs/dbraw/zinc/13/75/99/1195137599.db2.gz HHJASFQSORLVQB-KRWDZBQOSA-N 2 2 398.548 0.029 20 0 GCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414913003 1195149673 /nfs/dbraw/zinc/14/96/73/1195149673.db2.gz ZFUSURSDFLTPFS-ZIAGYGMSSA-N 2 2 376.457 0.741 20 0 GCADLP CC[C@H]1C[N@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000425961726 1195196382 /nfs/dbraw/zinc/19/63/82/1195196382.db2.gz DEPARERZIYDQRA-KRWDZBQOSA-N 2 2 379.505 0.932 20 0 GCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000425961726 1195196384 /nfs/dbraw/zinc/19/63/84/1195196384.db2.gz DEPARERZIYDQRA-KRWDZBQOSA-N 2 2 379.505 0.932 20 0 GCADLP C[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000438319361 1195206320 /nfs/dbraw/zinc/20/63/20/1195206320.db2.gz NGGRTUUGWCEHQS-KRWDZBQOSA-N 2 2 378.521 1.457 20 0 GCADLP Cc1nc(NC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)oc1C ZINC000517708709 1195207344 /nfs/dbraw/zinc/20/73/44/1195207344.db2.gz CLJCEXPKXBJCCJ-UHFFFAOYSA-N 2 2 392.504 0.994 20 0 GCADLP CN(C(=O)c1cnc2cccnn12)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517748130 1195213882 /nfs/dbraw/zinc/21/38/82/1195213882.db2.gz DENZHISPOQPICF-UHFFFAOYSA-N 2 2 399.499 0.040 20 0 GCADLP CCCCO[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517985123 1195236293 /nfs/dbraw/zinc/23/62/93/1195236293.db2.gz HBSMIJLOTLOICI-KRWDZBQOSA-N 2 2 382.549 0.888 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000518137664 1195251495 /nfs/dbraw/zinc/25/14/95/1195251495.db2.gz YSOPCIWTTOQRDA-WOJBJXKFSA-N 2 2 387.528 0.577 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000518137664 1195251499 /nfs/dbraw/zinc/25/14/99/1195251499.db2.gz YSOPCIWTTOQRDA-WOJBJXKFSA-N 2 2 387.528 0.577 20 0 GCADLP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)ccc1O[C@H](C)C(=O)N(C)C ZINC000414973953 1195275222 /nfs/dbraw/zinc/27/52/22/1195275222.db2.gz JNMJGIIEZMWQTA-WBVHZDCISA-N 2 2 378.517 0.934 20 0 GCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000518406040 1195288718 /nfs/dbraw/zinc/28/87/18/1195288718.db2.gz PQTWHDFZRBYPFW-IBGZPJMESA-N 2 2 394.560 0.794 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000439216477 1195297768 /nfs/dbraw/zinc/29/77/68/1195297768.db2.gz PBWYMKNSOALAHU-UHFFFAOYSA-N 2 2 375.473 0.719 20 0 GCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000439358662 1195313335 /nfs/dbraw/zinc/31/33/35/1195313335.db2.gz ZUCWGIJZLYSXDE-AWEZNQCLSA-N 2 2 375.473 0.678 20 0 GCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000439358662 1195313338 /nfs/dbraw/zinc/31/33/38/1195313338.db2.gz ZUCWGIJZLYSXDE-AWEZNQCLSA-N 2 2 375.473 0.678 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000550016270 1195314995 /nfs/dbraw/zinc/31/49/95/1195314995.db2.gz PLFQLHZNKNHASE-SFHVURJKSA-N 2 2 388.512 0.292 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000550016270 1195314999 /nfs/dbraw/zinc/31/49/99/1195314999.db2.gz PLFQLHZNKNHASE-SFHVURJKSA-N 2 2 388.512 0.292 20 0 GCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439682809 1195340921 /nfs/dbraw/zinc/34/09/21/1195340921.db2.gz GDLUHGAYEUICEE-OALUTQOASA-N 2 2 394.560 0.794 20 0 GCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439682809 1195340925 /nfs/dbraw/zinc/34/09/25/1195340925.db2.gz GDLUHGAYEUICEE-OALUTQOASA-N 2 2 394.560 0.794 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000297704045 1195344121 /nfs/dbraw/zinc/34/41/21/1195344121.db2.gz ILMBZHFBPFAUQY-OAHLLOKOSA-N 2 2 379.505 0.344 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000297704045 1195344127 /nfs/dbraw/zinc/34/41/27/1195344127.db2.gz ILMBZHFBPFAUQY-OAHLLOKOSA-N 2 2 379.505 0.344 20 0 GCADLP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000894392589 1195369486 /nfs/dbraw/zinc/36/94/86/1195369486.db2.gz AJJXXYMLGNLQOG-INIZCTEOSA-N 2 2 382.505 0.376 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](CC)CO1 ZINC000653398090 1195410878 /nfs/dbraw/zinc/41/08/78/1195410878.db2.gz HAVDSUXKNIOLLG-JFIYKMOQSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](CC)CO1 ZINC000653398090 1195410879 /nfs/dbraw/zinc/41/08/79/1195410879.db2.gz HAVDSUXKNIOLLG-JFIYKMOQSA-N 2 2 380.533 0.687 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550094584 1195433549 /nfs/dbraw/zinc/43/35/49/1195433549.db2.gz CJOHUHYITFDZKH-KRWDZBQOSA-N 2 2 391.516 0.351 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550094584 1195433550 /nfs/dbraw/zinc/43/35/50/1195433550.db2.gz CJOHUHYITFDZKH-KRWDZBQOSA-N 2 2 391.516 0.351 20 0 GCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000473724583 1195450889 /nfs/dbraw/zinc/45/08/89/1195450889.db2.gz PVNKUDJYYCEIGB-OAHLLOKOSA-N 2 2 390.532 0.995 20 0 GCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000550181311 1195455598 /nfs/dbraw/zinc/45/55/98/1195455598.db2.gz RYBMQMIPGQFJNC-ZACQAIPSSA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000550181311 1195455601 /nfs/dbraw/zinc/45/56/01/1195455601.db2.gz RYBMQMIPGQFJNC-ZACQAIPSSA-N 2 2 382.549 0.789 20 0 GCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000550192121 1195456613 /nfs/dbraw/zinc/45/66/13/1195456613.db2.gz YAESTZVCNOBSBQ-GJZGRUSLSA-N 2 2 380.533 0.733 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000112144680 1195464308 /nfs/dbraw/zinc/46/43/08/1195464308.db2.gz KMXISZULMAEVPY-AWEZNQCLSA-N 2 2 393.454 0.817 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000112144680 1195464310 /nfs/dbraw/zinc/46/43/10/1195464310.db2.gz KMXISZULMAEVPY-AWEZNQCLSA-N 2 2 393.454 0.817 20 0 GCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000550267340 1195473444 /nfs/dbraw/zinc/47/34/44/1195473444.db2.gz SDPNHEXKTVJHJC-KRWDZBQOSA-N 2 2 392.500 0.253 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000550275736 1195475312 /nfs/dbraw/zinc/47/53/12/1195475312.db2.gz DGIVUPUYSVDCOI-DLBZAZTESA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000550275736 1195475314 /nfs/dbraw/zinc/47/53/14/1195475314.db2.gz DGIVUPUYSVDCOI-DLBZAZTESA-N 2 2 382.549 0.696 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550278590 1195482928 /nfs/dbraw/zinc/48/29/28/1195482928.db2.gz XAFAFBHUMWKVFU-ZWKOTPCHSA-N 2 2 382.549 0.840 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550278590 1195482930 /nfs/dbraw/zinc/48/29/30/1195482930.db2.gz XAFAFBHUMWKVFU-ZWKOTPCHSA-N 2 2 382.549 0.840 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000519588444 1195489949 /nfs/dbraw/zinc/48/99/49/1195489949.db2.gz HVANAGQDODLGJX-OALUTQOASA-N 2 2 394.560 0.936 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000550286091 1195518986 /nfs/dbraw/zinc/51/89/86/1195518986.db2.gz DVXPMFGNEFPMNZ-HNNXBMFYSA-N 2 2 376.505 0.862 20 0 GCADLP CC(C)C[C@@H](CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000473870096 1195553385 /nfs/dbraw/zinc/55/33/85/1195553385.db2.gz AYBNPHJILFDRPT-SFHVURJKSA-N 2 2 397.564 0.539 20 0 GCADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000519771700 1195568923 /nfs/dbraw/zinc/56/89/23/1195568923.db2.gz JBNAQJBTGHEHKO-AWEZNQCLSA-N 2 2 396.419 0.315 20 0 GCADLP CCCCOCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000550314498 1195584853 /nfs/dbraw/zinc/58/48/53/1195584853.db2.gz FVRQPLCLWPUDPI-UHFFFAOYSA-N 2 2 382.549 0.984 20 0 GCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000647971267 1195634070 /nfs/dbraw/zinc/63/40/70/1195634070.db2.gz DNUCEZNHJBMYPM-SJORKVTESA-N 2 2 392.525 0.061 20 0 GCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000647971267 1195634073 /nfs/dbraw/zinc/63/40/73/1195634073.db2.gz DNUCEZNHJBMYPM-SJORKVTESA-N 2 2 392.525 0.061 20 0 GCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000647971266 1195634383 /nfs/dbraw/zinc/63/43/83/1195634383.db2.gz DNUCEZNHJBMYPM-IRXDYDNUSA-N 2 2 392.525 0.061 20 0 GCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000647971266 1195634385 /nfs/dbraw/zinc/63/43/85/1195634385.db2.gz DNUCEZNHJBMYPM-IRXDYDNUSA-N 2 2 392.525 0.061 20 0 GCADLP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000550352798 1195640534 /nfs/dbraw/zinc/64/05/34/1195640534.db2.gz OOCDFLKABSNUKU-UHFFFAOYSA-N 3 2 383.581 0.706 20 0 GCADLP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000550352798 1195640537 /nfs/dbraw/zinc/64/05/37/1195640537.db2.gz OOCDFLKABSNUKU-UHFFFAOYSA-N 3 2 383.581 0.706 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355079 1195641216 /nfs/dbraw/zinc/64/12/16/1195641216.db2.gz BITMEWPASLTQLK-QZTJIDSGSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355079 1195641217 /nfs/dbraw/zinc/64/12/17/1195641217.db2.gz BITMEWPASLTQLK-QZTJIDSGSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000550356241 1195641947 /nfs/dbraw/zinc/64/19/47/1195641947.db2.gz MJLXJEFDEPAKAB-IEBWSBKVSA-N 2 2 394.560 0.983 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000550356241 1195641949 /nfs/dbraw/zinc/64/19/49/1195641949.db2.gz MJLXJEFDEPAKAB-IEBWSBKVSA-N 2 2 394.560 0.983 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000550355973 1195642428 /nfs/dbraw/zinc/64/24/28/1195642428.db2.gz KODUYLWWXOLDJF-IAGOWNOFSA-N 2 2 384.565 0.942 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000550355974 1195642437 /nfs/dbraw/zinc/64/24/37/1195642437.db2.gz KODUYLWWXOLDJF-IRXDYDNUSA-N 2 2 384.565 0.942 20 0 GCADLP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(C)C ZINC000550381114 1195648918 /nfs/dbraw/zinc/64/89/18/1195648918.db2.gz AZYYEKPALJNCIU-LJQANCHMSA-N 2 2 390.528 0.850 20 0 GCADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(C)C ZINC000550381114 1195648922 /nfs/dbraw/zinc/64/89/22/1195648922.db2.gz AZYYEKPALJNCIU-LJQANCHMSA-N 2 2 390.528 0.850 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C ZINC000550381114 1195648925 /nfs/dbraw/zinc/64/89/25/1195648925.db2.gz AZYYEKPALJNCIU-LJQANCHMSA-N 2 2 390.528 0.850 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)C ZINC000550381114 1195648927 /nfs/dbraw/zinc/64/89/27/1195648927.db2.gz AZYYEKPALJNCIU-LJQANCHMSA-N 2 2 390.528 0.850 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383746 1195651312 /nfs/dbraw/zinc/65/13/12/1195651312.db2.gz RYWHLHVYUJIJQI-MSOLQXFVSA-N 2 2 381.565 0.173 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383746 1195651316 /nfs/dbraw/zinc/65/13/16/1195651316.db2.gz RYWHLHVYUJIJQI-MSOLQXFVSA-N 2 2 381.565 0.173 20 0 GCADLP CN(C(=O)COc1ccsc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328665338 1195658607 /nfs/dbraw/zinc/65/86/07/1195658607.db2.gz ZDZPNGVXJVASRH-UHFFFAOYSA-N 2 2 394.541 0.824 20 0 GCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)CC1 ZINC000328795478 1195668104 /nfs/dbraw/zinc/66/81/04/1195668104.db2.gz UCJXGMLKIHUQFX-MOPGFXCFSA-N 2 2 392.544 0.357 20 0 GCADLP CN(C(=O)C[C@](C)(O)C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328794004 1195668363 /nfs/dbraw/zinc/66/83/63/1195668363.db2.gz SFWGHZWNRNFOSN-FQEVSTJZSA-N 2 2 380.533 0.234 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+][C@H]2CCCOCC2)CC3)CC1 ZINC000328841643 1195670422 /nfs/dbraw/zinc/67/04/22/1195670422.db2.gz OTTZMIVGUBCLBT-IRXDYDNUSA-N 2 2 375.517 0.992 20 0 GCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+](C)CCO1)CC(C)(C)C ZINC001719866026 1195753272 /nfs/dbraw/zinc/75/32/72/1195753272.db2.gz CTMDNMNNLWIZIJ-QZWWFDLISA-N 2 2 380.533 0.543 20 0 GCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+](C)CCO1)CC(C)(C)C ZINC001719866026 1195753276 /nfs/dbraw/zinc/75/32/76/1195753276.db2.gz CTMDNMNNLWIZIJ-QZWWFDLISA-N 2 2 380.533 0.543 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@H+](C)CCO1)CC(C)(C)C ZINC001719866026 1195753277 /nfs/dbraw/zinc/75/32/77/1195753277.db2.gz CTMDNMNNLWIZIJ-QZWWFDLISA-N 2 2 380.533 0.543 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@@H+](C)CCO1)CC(C)(C)C ZINC001719866026 1195753280 /nfs/dbraw/zinc/75/32/80/1195753280.db2.gz CTMDNMNNLWIZIJ-QZWWFDLISA-N 2 2 380.533 0.543 20 0 GCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647985711 1195754325 /nfs/dbraw/zinc/75/43/25/1195754325.db2.gz VUPKVTLHZILIKX-ZIAGYGMSSA-N 2 2 396.513 0.348 20 0 GCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647985711 1195754330 /nfs/dbraw/zinc/75/43/30/1195754330.db2.gz VUPKVTLHZILIKX-ZIAGYGMSSA-N 2 2 396.513 0.348 20 0 GCADLP CC(C)CCN1C(=O)C[C@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000614566335 1195758999 /nfs/dbraw/zinc/75/89/99/1195758999.db2.gz VNTDVITWZUNRTH-KRWDZBQOSA-N 2 2 378.517 0.646 20 0 GCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000983890894 1195768371 /nfs/dbraw/zinc/76/83/71/1195768371.db2.gz OJGRNMRZLXOCQW-WCXIOVBPSA-N 2 2 377.489 0.346 20 0 GCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000983890894 1195768374 /nfs/dbraw/zinc/76/83/74/1195768374.db2.gz OJGRNMRZLXOCQW-WCXIOVBPSA-N 2 2 377.489 0.346 20 0 GCADLP O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417618325 1195794490 /nfs/dbraw/zinc/79/44/90/1195794490.db2.gz GKQZZNURAIRESY-HOTGVXAUSA-N 2 2 389.504 0.333 20 0 GCADLP O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417618325 1195794493 /nfs/dbraw/zinc/79/44/93/1195794493.db2.gz GKQZZNURAIRESY-HOTGVXAUSA-N 2 2 389.504 0.333 20 0 GCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000520628068 1195806086 /nfs/dbraw/zinc/80/60/86/1195806086.db2.gz JHWHLVIVBOMPPQ-IBGZPJMESA-N 3 2 393.576 0.604 20 0 GCADLP CC1(C)C[N@@H+](C2(CNC(=O)C(=O)NCCn3cc[nH+]c3)CCCCC2)CCO1 ZINC000550428814 1195817210 /nfs/dbraw/zinc/81/72/10/1195817210.db2.gz KBWNFSSJKLXUHL-UHFFFAOYSA-N 2 2 391.516 0.929 20 0 GCADLP CC1(C)C[N@H+](C2(CNC(=O)C(=O)NCCn3cc[nH+]c3)CCCCC2)CCO1 ZINC000550428814 1195817214 /nfs/dbraw/zinc/81/72/14/1195817214.db2.gz KBWNFSSJKLXUHL-UHFFFAOYSA-N 2 2 391.516 0.929 20 0 GCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000521076054 1195961416 /nfs/dbraw/zinc/96/14/16/1195961416.db2.gz FVHXDAJXOAGVAA-RBUKOAKNSA-N 2 2 394.560 0.983 20 0 GCADLP CC(C)(CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000521206981 1195976806 /nfs/dbraw/zinc/97/68/06/1195976806.db2.gz WJCFBTPJSVWGLF-UHFFFAOYSA-N 2 2 381.521 0.047 20 0 GCADLP COc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000442759088 1196000784 /nfs/dbraw/zinc/00/07/84/1196000784.db2.gz KDQNELRPMRDHRM-STQMWFEESA-N 2 2 384.502 0.553 20 0 GCADLP COc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000442759088 1196000788 /nfs/dbraw/zinc/00/07/88/1196000788.db2.gz KDQNELRPMRDHRM-STQMWFEESA-N 2 2 384.502 0.553 20 0 GCADLP COc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000442759086 1196000959 /nfs/dbraw/zinc/00/09/59/1196000959.db2.gz KDQNELRPMRDHRM-OLZOCXBDSA-N 2 2 384.502 0.553 20 0 GCADLP COc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000442759086 1196000963 /nfs/dbraw/zinc/00/09/63/1196000963.db2.gz KDQNELRPMRDHRM-OLZOCXBDSA-N 2 2 384.502 0.553 20 0 GCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442762754 1196001401 /nfs/dbraw/zinc/00/14/01/1196001401.db2.gz AFMNEBPNGHPXQW-GJZGRUSLSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442762754 1196001404 /nfs/dbraw/zinc/00/14/04/1196001404.db2.gz AFMNEBPNGHPXQW-GJZGRUSLSA-N 2 2 396.513 0.315 20 0 GCADLP C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442767243 1196003443 /nfs/dbraw/zinc/00/34/43/1196003443.db2.gz YFIOPDFEDZFRMH-XYPWUTKMSA-N 2 2 380.514 0.208 20 0 GCADLP C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442767243 1196003446 /nfs/dbraw/zinc/00/34/46/1196003446.db2.gz YFIOPDFEDZFRMH-XYPWUTKMSA-N 2 2 380.514 0.208 20 0 GCADLP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000443067884 1196017622 /nfs/dbraw/zinc/01/76/22/1196017622.db2.gz HAQDGCYRORZAKW-BBWFWOEESA-N 2 2 387.546 0.242 20 0 GCADLP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000443067884 1196017625 /nfs/dbraw/zinc/01/76/25/1196017625.db2.gz HAQDGCYRORZAKW-BBWFWOEESA-N 2 2 387.546 0.242 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000522017977 1196036422 /nfs/dbraw/zinc/03/64/22/1196036422.db2.gz NMZLPUAAIWUOIQ-FUHWJXTLSA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000522017977 1196036424 /nfs/dbraw/zinc/03/64/24/1196036424.db2.gz NMZLPUAAIWUOIQ-FUHWJXTLSA-N 2 2 380.533 0.593 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1Cc1nc(CC(=O)NC)no1 ZINC001087578264 1196050311 /nfs/dbraw/zinc/05/03/11/1196050311.db2.gz LCXRUWKVJIJKPK-APIJFGDWSA-N 2 2 392.504 0.167 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1Cc1nc(CC(=O)NC)no1 ZINC001087578264 1196050314 /nfs/dbraw/zinc/05/03/14/1196050314.db2.gz LCXRUWKVJIJKPK-APIJFGDWSA-N 2 2 392.504 0.167 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1nc(CC(=O)NC)no1 ZINC001087578264 1196050316 /nfs/dbraw/zinc/05/03/16/1196050316.db2.gz LCXRUWKVJIJKPK-APIJFGDWSA-N 2 2 392.504 0.167 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1nc(CC(=O)NC)no1 ZINC001087578264 1196050317 /nfs/dbraw/zinc/05/03/17/1196050317.db2.gz LCXRUWKVJIJKPK-APIJFGDWSA-N 2 2 392.504 0.167 20 0 GCADLP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000550490038 1196056038 /nfs/dbraw/zinc/05/60/38/1196056038.db2.gz UWIUURGWBFUHNO-UHFFFAOYSA-N 3 2 395.592 0.709 20 0 GCADLP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000550490038 1196056040 /nfs/dbraw/zinc/05/60/40/1196056040.db2.gz UWIUURGWBFUHNO-UHFFFAOYSA-N 3 2 395.592 0.709 20 0 GCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000550494769 1196056413 /nfs/dbraw/zinc/05/64/13/1196056413.db2.gz QYUAPNCULLSBKB-MSOLQXFVSA-N 2 2 380.533 0.738 20 0 GCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000550494771 1196056531 /nfs/dbraw/zinc/05/65/31/1196056531.db2.gz QYUAPNCULLSBKB-ROUUACIJSA-N 2 2 380.533 0.738 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087731820 1196069720 /nfs/dbraw/zinc/06/97/20/1196069720.db2.gz KNZUPANZZUFKON-WCXIOVBPSA-N 2 2 389.500 0.352 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087731820 1196069726 /nfs/dbraw/zinc/06/97/26/1196069726.db2.gz KNZUPANZZUFKON-WCXIOVBPSA-N 2 2 389.500 0.352 20 0 GCADLP C[NH+]1CCN([C@@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c2cccs2)CC1 ZINC000895468851 1196097155 /nfs/dbraw/zinc/09/71/55/1196097155.db2.gz WIJMIRPFBIODJL-IRXDYDNUSA-N 2 2 378.542 0.874 20 0 GCADLP O=C(C[NH+]1CCC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1)Nc1ccccc1 ZINC000895561634 1196101659 /nfs/dbraw/zinc/10/16/59/1196101659.db2.gz VLUUSLMZWLJMGZ-IBGZPJMESA-N 2 2 386.496 0.926 20 0 GCADLP NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000895686509 1196107915 /nfs/dbraw/zinc/10/79/15/1196107915.db2.gz SUCDJHOZCKNHFB-KRWDZBQOSA-N 2 2 382.530 0.220 20 0 GCADLP CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895684504 1196108482 /nfs/dbraw/zinc/10/84/82/1196108482.db2.gz DBOIPMRJWZJCQH-QGZVFWFLSA-N 2 2 379.505 0.483 20 0 GCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000653425887 1196110445 /nfs/dbraw/zinc/11/04/45/1196110445.db2.gz GELUEBFDXFUMDP-AHRSYUTCSA-N 2 2 384.524 0.971 20 0 GCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000653425887 1196110447 /nfs/dbraw/zinc/11/04/47/1196110447.db2.gz GELUEBFDXFUMDP-AHRSYUTCSA-N 2 2 384.524 0.971 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000653425887 1196110451 /nfs/dbraw/zinc/11/04/51/1196110451.db2.gz GELUEBFDXFUMDP-AHRSYUTCSA-N 2 2 384.524 0.971 20 0 GCADLP O=C(CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000896023551 1196122994 /nfs/dbraw/zinc/12/29/94/1196122994.db2.gz ASIFROSSSYXIDV-LJQANCHMSA-N 2 2 386.496 0.168 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)Nc4ccon4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971156 1196143882 /nfs/dbraw/zinc/14/38/82/1196143882.db2.gz IEPIAEZSRZHUOP-LVQVYYBASA-N 2 2 375.473 0.734 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)Nc4ccon4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971156 1196143885 /nfs/dbraw/zinc/14/38/85/1196143885.db2.gz IEPIAEZSRZHUOP-LVQVYYBASA-N 2 2 375.473 0.734 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)Nc4ccon4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971156 1196143889 /nfs/dbraw/zinc/14/38/89/1196143889.db2.gz IEPIAEZSRZHUOP-LVQVYYBASA-N 2 2 375.473 0.734 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)Nc4ccon4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971156 1196143891 /nfs/dbraw/zinc/14/38/91/1196143891.db2.gz IEPIAEZSRZHUOP-LVQVYYBASA-N 2 2 375.473 0.734 20 0 GCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000896506437 1196151709 /nfs/dbraw/zinc/15/17/09/1196151709.db2.gz ODXLUCXTWIVKRI-INIZCTEOSA-N 2 2 388.516 0.835 20 0 GCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000896506437 1196151711 /nfs/dbraw/zinc/15/17/11/1196151711.db2.gz ODXLUCXTWIVKRI-INIZCTEOSA-N 2 2 388.516 0.835 20 0 GCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000896506437 1196151717 /nfs/dbraw/zinc/15/17/17/1196151717.db2.gz ODXLUCXTWIVKRI-INIZCTEOSA-N 2 2 388.516 0.835 20 0 GCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000896506437 1196151719 /nfs/dbraw/zinc/15/17/19/1196151719.db2.gz ODXLUCXTWIVKRI-INIZCTEOSA-N 2 2 388.516 0.835 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532874 1196153928 /nfs/dbraw/zinc/15/39/28/1196153928.db2.gz NBGGMGMRUHQUHP-MTFMMBMASA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532874 1196153931 /nfs/dbraw/zinc/15/39/31/1196153931.db2.gz NBGGMGMRUHQUHP-MTFMMBMASA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532874 1196153933 /nfs/dbraw/zinc/15/39/33/1196153933.db2.gz NBGGMGMRUHQUHP-MTFMMBMASA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532874 1196153935 /nfs/dbraw/zinc/15/39/35/1196153935.db2.gz NBGGMGMRUHQUHP-MTFMMBMASA-N 2 2 390.576 0.985 20 0 GCADLP CN(C(=O)CCc1nccs1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329161182 1196170603 /nfs/dbraw/zinc/17/06/03/1196170603.db2.gz YUXFAZHBMPBGJF-UHFFFAOYSA-N 2 2 393.557 0.773 20 0 GCADLP CN(C(=O)COc1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329187652 1196174098 /nfs/dbraw/zinc/17/40/98/1196174098.db2.gz QVWFTGBHIFHVSU-UHFFFAOYSA-N 2 2 388.512 0.762 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329249468 1196179948 /nfs/dbraw/zinc/17/99/48/1196179948.db2.gz ASMMBGJXBUDHTA-MSOLQXFVSA-N 2 2 378.517 0.395 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329249468 1196179952 /nfs/dbraw/zinc/17/99/52/1196179952.db2.gz ASMMBGJXBUDHTA-MSOLQXFVSA-N 2 2 378.517 0.395 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329249468 1196179955 /nfs/dbraw/zinc/17/99/55/1196179955.db2.gz ASMMBGJXBUDHTA-MSOLQXFVSA-N 2 2 378.517 0.395 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329249468 1196179957 /nfs/dbraw/zinc/17/99/57/1196179957.db2.gz ASMMBGJXBUDHTA-MSOLQXFVSA-N 2 2 378.517 0.395 20 0 GCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329288601 1196182917 /nfs/dbraw/zinc/18/29/17/1196182917.db2.gz MUUAGCXURTYUKI-ROUUACIJSA-N 2 2 378.517 0.254 20 0 GCADLP CN(C(=O)[C@H]1C[C@]12CCOC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329658314 1196216329 /nfs/dbraw/zinc/21/63/29/1196216329.db2.gz NIDRLQWRKCVZEF-XLIONFOSSA-N 2 2 378.517 0.110 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc5n(n4)CCC5)CC[C@@H]3C2)O1 ZINC001088011187 1196216707 /nfs/dbraw/zinc/21/67/07/1196216707.db2.gz BWJAUNGLCPPCSR-PDOICOKGSA-N 2 2 387.528 0.829 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc5n(n4)CCC5)CC[C@@H]3C2)O1 ZINC001088011187 1196216709 /nfs/dbraw/zinc/21/67/09/1196216709.db2.gz BWJAUNGLCPPCSR-PDOICOKGSA-N 2 2 387.528 0.829 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cc5n(n4)CCC5)CC[C@@H]3C2)O1 ZINC001088011187 1196216712 /nfs/dbraw/zinc/21/67/12/1196216712.db2.gz BWJAUNGLCPPCSR-PDOICOKGSA-N 2 2 387.528 0.829 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cc5n(n4)CCC5)CC[C@@H]3C2)O1 ZINC001088011187 1196216714 /nfs/dbraw/zinc/21/67/14/1196216714.db2.gz BWJAUNGLCPPCSR-PDOICOKGSA-N 2 2 387.528 0.829 20 0 GCADLP CC[C@@H]1CC[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000329824978 1196232917 /nfs/dbraw/zinc/23/29/17/1196232917.db2.gz QTAFZVWMXYKAKJ-QZTJIDSGSA-N 2 2 380.533 0.641 20 0 GCADLP C[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000329878901 1196235782 /nfs/dbraw/zinc/23/57/82/1196235782.db2.gz LMSJFGFGVORHOJ-KRWDZBQOSA-N 2 2 387.528 0.882 20 0 GCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000330015786 1196246589 /nfs/dbraw/zinc/24/65/89/1196246589.db2.gz ONVFETIQSNVNKB-MRXNPFEDSA-N 2 2 399.499 0.601 20 0 GCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000330015786 1196246593 /nfs/dbraw/zinc/24/65/93/1196246593.db2.gz ONVFETIQSNVNKB-MRXNPFEDSA-N 2 2 399.499 0.601 20 0 GCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C2(CCCCC2)C1 ZINC000330077891 1196250878 /nfs/dbraw/zinc/25/08/78/1196250878.db2.gz FLJVMTJIBICZNT-SFHVURJKSA-N 2 2 392.544 0.644 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C2(CCCCC2)C1 ZINC000330077891 1196250881 /nfs/dbraw/zinc/25/08/81/1196250881.db2.gz FLJVMTJIBICZNT-SFHVURJKSA-N 2 2 392.544 0.644 20 0 GCADLP CC[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330255459 1196262073 /nfs/dbraw/zinc/26/20/73/1196262073.db2.gz PRPRAIRHAXZHFT-MOPGFXCFSA-N 2 2 394.560 0.888 20 0 GCADLP CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000280966539 1196267636 /nfs/dbraw/zinc/26/76/36/1196267636.db2.gz HUZHOTYJELBHPF-UHFFFAOYSA-N 2 2 378.521 0.966 20 0 GCADLP CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000280966539 1196267640 /nfs/dbraw/zinc/26/76/40/1196267640.db2.gz HUZHOTYJELBHPF-UHFFFAOYSA-N 2 2 378.521 0.966 20 0 GCADLP Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000280991927 1196269179 /nfs/dbraw/zinc/26/91/79/1196269179.db2.gz SZKRXXKRJIOJII-HXUWFJFHSA-N 2 2 378.517 0.392 20 0 GCADLP Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000280991927 1196269182 /nfs/dbraw/zinc/26/91/82/1196269182.db2.gz SZKRXXKRJIOJII-HXUWFJFHSA-N 2 2 378.517 0.392 20 0 GCADLP C[N@H+]1CCN(CCNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000281962725 1196353131 /nfs/dbraw/zinc/35/31/31/1196353131.db2.gz LMFYYMKSPUZKFU-UHFFFAOYSA-N 2 2 384.484 0.953 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000444170964 1196355320 /nfs/dbraw/zinc/35/53/20/1196355320.db2.gz UNUNUNVHONOEBD-QZTJIDSGSA-N 2 2 384.484 0.833 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000444170964 1196355324 /nfs/dbraw/zinc/35/53/24/1196355324.db2.gz UNUNUNVHONOEBD-QZTJIDSGSA-N 2 2 384.484 0.833 20 0 GCADLP COCCNS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655702385 1196360786 /nfs/dbraw/zinc/36/07/86/1196360786.db2.gz VDHJUKNHHJTBKD-SFHVURJKSA-N 2 2 397.541 0.954 20 0 GCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1(C)C ZINC000444274105 1196370029 /nfs/dbraw/zinc/37/00/29/1196370029.db2.gz XRSHWWUBMNVRBB-DNVCBOLYSA-N 2 2 376.505 0.247 20 0 GCADLP C[C@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000655709913 1196397254 /nfs/dbraw/zinc/39/72/54/1196397254.db2.gz PENPFDGDAGEKCG-KFKAGJAMSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@H](NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000655709913 1196397259 /nfs/dbraw/zinc/39/72/59/1196397259.db2.gz PENPFDGDAGEKCG-KFKAGJAMSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000655709913 1196397262 /nfs/dbraw/zinc/39/72/62/1196397262.db2.gz PENPFDGDAGEKCG-KFKAGJAMSA-N 2 2 376.501 0.424 20 0 GCADLP C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000655709913 1196397267 /nfs/dbraw/zinc/39/72/67/1196397267.db2.gz PENPFDGDAGEKCG-KFKAGJAMSA-N 2 2 376.501 0.424 20 0 GCADLP CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000182675255 1196411864 /nfs/dbraw/zinc/41/18/64/1196411864.db2.gz AXHCFPFMWWGUKW-IRXDYDNUSA-N 2 2 378.521 0.377 20 0 GCADLP CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182675255 1196411866 /nfs/dbraw/zinc/41/18/66/1196411866.db2.gz AXHCFPFMWWGUKW-IRXDYDNUSA-N 2 2 378.521 0.377 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000302878260 1196448756 /nfs/dbraw/zinc/44/87/56/1196448756.db2.gz GJFPLWPHMAVKGI-KRWDZBQOSA-N 2 2 388.516 0.572 20 0 GCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514611674 1196464588 /nfs/dbraw/zinc/46/45/88/1196464588.db2.gz BIHJQSSPFSXZCH-FUHWJXTLSA-N 2 2 394.541 0.472 20 0 GCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514611674 1196464591 /nfs/dbraw/zinc/46/45/91/1196464591.db2.gz BIHJQSSPFSXZCH-FUHWJXTLSA-N 2 2 394.541 0.472 20 0 GCADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000475569731 1196468494 /nfs/dbraw/zinc/46/84/94/1196468494.db2.gz QGPHENGYMBUPGS-LJQANCHMSA-N 2 2 393.488 0.052 20 0 GCADLP CN(C(=O)c1cc(Cl)c[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041427 1196470656 /nfs/dbraw/zinc/47/06/56/1196470656.db2.gz CYVUAJKPCCBACG-UHFFFAOYSA-N 2 2 381.908 0.979 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000107368247 1196474288 /nfs/dbraw/zinc/47/42/88/1196474288.db2.gz VCTCYENGMSMGQB-ZWKOTPCHSA-N 2 2 379.549 0.215 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000107368247 1196474292 /nfs/dbraw/zinc/47/42/92/1196474292.db2.gz VCTCYENGMSMGQB-ZWKOTPCHSA-N 2 2 379.549 0.215 20 0 GCADLP C[NH+](C)CCOc1cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)ccn1 ZINC000897319637 1196481107 /nfs/dbraw/zinc/48/11/07/1196481107.db2.gz SSRPEIDTTDETIG-SJORKVTESA-N 2 2 378.473 0.840 20 0 GCADLP CC(C)[NH2+]C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000111832983 1196493023 /nfs/dbraw/zinc/49/30/23/1196493023.db2.gz BGTAMXOSTCJWQE-UHFFFAOYSA-N 2 2 375.521 0.771 20 0 GCADLP COCCO[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000444748223 1196518764 /nfs/dbraw/zinc/51/87/64/1196518764.db2.gz HYDQRHDNEDRMCS-HXUWFJFHSA-N 2 2 391.512 0.872 20 0 GCADLP COCCO[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000444748223 1196518766 /nfs/dbraw/zinc/51/87/66/1196518766.db2.gz HYDQRHDNEDRMCS-HXUWFJFHSA-N 2 2 391.512 0.872 20 0 GCADLP CCOC1CC(CNC(=O)NCC2CC[NH+](CCO)CC2)([NH+]2CCOCC2)C1 ZINC000445094081 1196547230 /nfs/dbraw/zinc/54/72/30/1196547230.db2.gz PPWLJMKKFXFLBS-UHFFFAOYSA-N 2 2 398.548 0.260 20 0 GCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248433893 1196550014 /nfs/dbraw/zinc/55/00/14/1196550014.db2.gz DLKSGDJZONJDJT-WOJBJXKFSA-N 2 2 388.512 0.869 20 0 GCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248433893 1196550020 /nfs/dbraw/zinc/55/00/20/1196550020.db2.gz DLKSGDJZONJDJT-WOJBJXKFSA-N 2 2 388.512 0.869 20 0 GCADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000897340505 1196576392 /nfs/dbraw/zinc/57/63/92/1196576392.db2.gz SCRISSFBOYWNCM-HOTGVXAUSA-N 2 2 392.500 0.633 20 0 GCADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000897340505 1196576397 /nfs/dbraw/zinc/57/63/97/1196576397.db2.gz SCRISSFBOYWNCM-HOTGVXAUSA-N 2 2 392.500 0.633 20 0 GCADLP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000639852173 1196614732 /nfs/dbraw/zinc/61/47/32/1196614732.db2.gz DOPQIIVJCOHOPJ-MJGOQNOKSA-N 2 2 379.526 0.992 20 0 GCADLP C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000639852173 1196614733 /nfs/dbraw/zinc/61/47/33/1196614733.db2.gz DOPQIIVJCOHOPJ-MJGOQNOKSA-N 2 2 379.526 0.992 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446371909 1196640189 /nfs/dbraw/zinc/64/01/89/1196640189.db2.gz HHJLRQUUVQGPEX-FRQCXROJSA-N 2 2 377.489 0.686 20 0 GCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528451993 1196860316 /nfs/dbraw/zinc/86/03/16/1196860316.db2.gz QAJVSWHUSMYKKD-AXVVYFOYSA-N 2 2 394.560 0.743 20 0 GCADLP CC[C@H](C)[C@@H](OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000475657134 1196886215 /nfs/dbraw/zinc/88/62/15/1196886215.db2.gz SGFOCLGJYPVJDX-QFBILLFUSA-N 2 2 382.549 0.744 20 0 GCADLP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000529374442 1196920093 /nfs/dbraw/zinc/92/00/93/1196920093.db2.gz GEGSDRQBVSKXKE-BHIYHBOVSA-N 3 2 381.565 0.953 20 0 GCADLP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000529374442 1196920094 /nfs/dbraw/zinc/92/00/94/1196920094.db2.gz GEGSDRQBVSKXKE-BHIYHBOVSA-N 3 2 381.565 0.953 20 0 GCADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323141 1196925074 /nfs/dbraw/zinc/92/50/74/1196925074.db2.gz FRWXSMODVGEKQM-UXHICEINSA-N 2 2 392.544 0.940 20 0 GCADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323141 1196925075 /nfs/dbraw/zinc/92/50/75/1196925075.db2.gz FRWXSMODVGEKQM-UXHICEINSA-N 2 2 392.544 0.940 20 0 GCADLP CC(C)n1cc([C@]2(O)CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000375340117 1196980919 /nfs/dbraw/zinc/98/09/19/1196980919.db2.gz BLQVMMZPARAWOS-IBGZPJMESA-N 2 2 378.521 0.741 20 0 GCADLP CC(C)n1cc([C@]2(O)CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000375340117 1196980920 /nfs/dbraw/zinc/98/09/20/1196980920.db2.gz BLQVMMZPARAWOS-IBGZPJMESA-N 2 2 378.521 0.741 20 0 GCADLP CN(C(=O)[C@H]1CC12CCOCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000530674627 1197007222 /nfs/dbraw/zinc/00/72/22/1197007222.db2.gz BPAIBWUPRMUNML-GOSISDBHSA-N 2 2 392.544 0.500 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000530719778 1197011325 /nfs/dbraw/zinc/01/13/25/1197011325.db2.gz LOYZFVUGNOXHPZ-OALUTQOASA-N 2 2 376.501 0.445 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000530719778 1197011330 /nfs/dbraw/zinc/01/13/30/1197011330.db2.gz LOYZFVUGNOXHPZ-OALUTQOASA-N 2 2 376.501 0.445 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000530719780 1197011686 /nfs/dbraw/zinc/01/16/86/1197011686.db2.gz LOYZFVUGNOXHPZ-RTBURBONSA-N 2 2 376.501 0.445 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000530719780 1197011691 /nfs/dbraw/zinc/01/16/91/1197011691.db2.gz LOYZFVUGNOXHPZ-RTBURBONSA-N 2 2 376.501 0.445 20 0 GCADLP Cc1nn(C)cc1[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000532193895 1197124696 /nfs/dbraw/zinc/12/46/96/1197124696.db2.gz LTOUPMLSHDNLFG-HNNXBMFYSA-N 2 2 392.529 0.926 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000170743347 1197154354 /nfs/dbraw/zinc/15/43/54/1197154354.db2.gz WGQNDZZYMHMIQF-INIZCTEOSA-N 2 2 398.515 0.182 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171646113 1197157310 /nfs/dbraw/zinc/15/73/10/1197157310.db2.gz IRZVHACRVWEZQP-SFHVURJKSA-N 2 2 387.532 0.868 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000986404334 1197169067 /nfs/dbraw/zinc/16/90/67/1197169067.db2.gz YFKGDMFAEORSOF-ZJPYXAASSA-N 2 2 389.500 0.218 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174186356 1197180033 /nfs/dbraw/zinc/18/00/33/1197180033.db2.gz AYDXSXGAESJYDE-GOSISDBHSA-N 2 2 387.532 0.726 20 0 GCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000175813541 1197185518 /nfs/dbraw/zinc/18/55/18/1197185518.db2.gz WLKMSGDMMNJGOS-VQTJNVASSA-N 2 2 394.608 0.681 20 0 GCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000175813541 1197185521 /nfs/dbraw/zinc/18/55/21/1197185521.db2.gz WLKMSGDMMNJGOS-VQTJNVASSA-N 2 2 394.608 0.681 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000177249683 1197189350 /nfs/dbraw/zinc/18/93/50/1197189350.db2.gz HBAUSIQIAOAJKO-HXUWFJFHSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022992 1197203252 /nfs/dbraw/zinc/20/32/52/1197203252.db2.gz VVWMNVIPFJGQHY-QZTJIDSGSA-N 2 2 380.533 0.690 20 0 GCADLP COC(=O)Cn1cc(CC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000188326602 1197232501 /nfs/dbraw/zinc/23/25/01/1197232501.db2.gz KSQIEGMEPAGHNJ-HXUWFJFHSA-N 2 2 387.484 0.562 20 0 GCADLP COC(=O)Cn1cc(CC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000188326602 1197232503 /nfs/dbraw/zinc/23/25/03/1197232503.db2.gz KSQIEGMEPAGHNJ-HXUWFJFHSA-N 2 2 387.484 0.562 20 0 GCADLP COC(=O)Cn1cc(CC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000188326602 1197232505 /nfs/dbraw/zinc/23/25/05/1197232505.db2.gz KSQIEGMEPAGHNJ-HXUWFJFHSA-N 2 2 387.484 0.562 20 0 GCADLP COC(=O)Cn1cc(CC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000188326602 1197232508 /nfs/dbraw/zinc/23/25/08/1197232508.db2.gz KSQIEGMEPAGHNJ-HXUWFJFHSA-N 2 2 387.484 0.562 20 0 GCADLP C[N@H+](CCN1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1)Cc1ccccc1 ZINC000188759702 1197233710 /nfs/dbraw/zinc/23/37/10/1197233710.db2.gz KKYHZEUXWZJZQN-UHFFFAOYSA-N 2 2 382.512 0.945 20 0 GCADLP CN1CC[NH+](CCOc2ccc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)cc2)CC1 ZINC000188926848 1197234431 /nfs/dbraw/zinc/23/44/31/1197234431.db2.gz NWZFNEBBPJELEY-UHFFFAOYSA-N 2 2 384.484 0.934 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190220044 1197240227 /nfs/dbraw/zinc/24/02/27/1197240227.db2.gz LCRXLLFDKIZEQY-WIYYLYMNSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190220044 1197240230 /nfs/dbraw/zinc/24/02/30/1197240230.db2.gz LCRXLLFDKIZEQY-WIYYLYMNSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190220063 1197240434 /nfs/dbraw/zinc/24/04/34/1197240434.db2.gz LCRXLLFDKIZEQY-RXVVDRJESA-N 2 2 390.528 0.986 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190220063 1197240435 /nfs/dbraw/zinc/24/04/35/1197240435.db2.gz LCRXLLFDKIZEQY-RXVVDRJESA-N 2 2 390.528 0.986 20 0 GCADLP CN(C)C(=O)Cn1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000475820683 1197245712 /nfs/dbraw/zinc/24/57/12/1197245712.db2.gz KULAIVJQADRWOG-UHFFFAOYSA-N 2 2 379.509 0.461 20 0 GCADLP CN(C)C(=O)Cn1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000475820683 1197245714 /nfs/dbraw/zinc/24/57/14/1197245714.db2.gz KULAIVJQADRWOG-UHFFFAOYSA-N 2 2 379.509 0.461 20 0 GCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000104781640 1197307456 /nfs/dbraw/zinc/30/74/56/1197307456.db2.gz ZHLNQHNKJSJKAF-HNNXBMFYSA-N 2 2 376.505 0.649 20 0 GCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000104781640 1197307459 /nfs/dbraw/zinc/30/74/59/1197307459.db2.gz ZHLNQHNKJSJKAF-HNNXBMFYSA-N 2 2 376.505 0.649 20 0 GCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000106525429 1197327080 /nfs/dbraw/zinc/32/70/80/1197327080.db2.gz LIFDTFRVQWNHJC-VQTJNVASSA-N 2 2 394.608 0.680 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)S1 ZINC000532577553 1197330639 /nfs/dbraw/zinc/33/06/39/1197330639.db2.gz KGAWXEHJKVPUIF-OKILXGFUSA-N 2 2 389.529 0.838 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)S1 ZINC000532577553 1197330644 /nfs/dbraw/zinc/33/06/44/1197330644.db2.gz KGAWXEHJKVPUIF-OKILXGFUSA-N 2 2 389.529 0.838 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCn3nc4ccccn4c3=O)CC2)CC1 ZINC000111589085 1197332311 /nfs/dbraw/zinc/33/23/11/1197332311.db2.gz VFHUBUMCSYWDMJ-UHFFFAOYSA-N 2 2 386.500 0.561 20 0 GCADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000897453385 1197333815 /nfs/dbraw/zinc/33/38/15/1197333815.db2.gz KNRZCKACPAEUGI-RBUKOAKNSA-N 2 2 387.528 0.302 20 0 GCADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000897453385 1197333817 /nfs/dbraw/zinc/33/38/17/1197333817.db2.gz KNRZCKACPAEUGI-RBUKOAKNSA-N 2 2 387.528 0.302 20 0 GCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112503707 1197334985 /nfs/dbraw/zinc/33/49/85/1197334985.db2.gz LWXLXJCROXMSCL-INIZCTEOSA-N 2 2 376.505 0.738 20 0 GCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112503707 1197334989 /nfs/dbraw/zinc/33/49/89/1197334989.db2.gz LWXLXJCROXMSCL-INIZCTEOSA-N 2 2 376.505 0.738 20 0 GCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112503707 1197334991 /nfs/dbraw/zinc/33/49/91/1197334991.db2.gz LWXLXJCROXMSCL-INIZCTEOSA-N 2 2 376.505 0.738 20 0 GCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112503707 1197334995 /nfs/dbraw/zinc/33/49/95/1197334995.db2.gz LWXLXJCROXMSCL-INIZCTEOSA-N 2 2 376.505 0.738 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000124414683 1197352699 /nfs/dbraw/zinc/35/26/99/1197352699.db2.gz WIBVALMYYFGHNZ-UHFFFAOYSA-N 2 2 384.480 0.957 20 0 GCADLP C[C@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536544463 1197356545 /nfs/dbraw/zinc/35/65/45/1197356545.db2.gz IQWFVEUKAFHFNT-RDJZCZTQSA-N 2 2 377.537 0.654 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000126296828 1197357209 /nfs/dbraw/zinc/35/72/09/1197357209.db2.gz UUBOWSILGTXWGD-HZPDHXFCSA-N 2 2 394.541 0.648 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(c4cnccn4)CC3)CC2)CC1 ZINC000051760564 1197383517 /nfs/dbraw/zinc/38/35/17/1197383517.db2.gz OLGDFXNBXVNCFP-UHFFFAOYSA-N 2 2 387.532 0.867 20 0 GCADLP C[NH+]1CCC(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000105212467 1197386000 /nfs/dbraw/zinc/38/60/00/1197386000.db2.gz NIWYWXNSVFZCCW-UHFFFAOYSA-N 2 2 388.516 0.761 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000137139435 1197391983 /nfs/dbraw/zinc/39/19/83/1197391983.db2.gz BNIBGCBKOTYFFJ-MSOLQXFVSA-N 2 2 387.532 0.724 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000137139435 1197391986 /nfs/dbraw/zinc/39/19/86/1197391986.db2.gz BNIBGCBKOTYFFJ-MSOLQXFVSA-N 2 2 387.532 0.724 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000532713779 1197396817 /nfs/dbraw/zinc/39/68/17/1197396817.db2.gz IFJFEULTKWOUPG-AWEZNQCLSA-N 2 2 375.473 0.766 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194430908 1197399384 /nfs/dbraw/zinc/39/93/84/1197399384.db2.gz HGAMKBMEHRTZQM-PMACEKPBSA-N 2 2 390.528 0.843 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194430908 1197399387 /nfs/dbraw/zinc/39/93/87/1197399387.db2.gz HGAMKBMEHRTZQM-PMACEKPBSA-N 2 2 390.528 0.843 20 0 GCADLP COCC[NH+]1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000194827157 1197400327 /nfs/dbraw/zinc/40/03/27/1197400327.db2.gz WWUIUXRHDSXPEO-UHFFFAOYSA-N 2 2 376.505 0.307 20 0 GCADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000245592031 1197413880 /nfs/dbraw/zinc/41/38/80/1197413880.db2.gz BEXNRWKZLDJMJX-ROUUACIJSA-N 2 2 387.532 0.867 20 0 GCADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000245592031 1197413882 /nfs/dbraw/zinc/41/38/82/1197413882.db2.gz BEXNRWKZLDJMJX-ROUUACIJSA-N 2 2 387.532 0.867 20 0 GCADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000533254005 1197441532 /nfs/dbraw/zinc/44/15/32/1197441532.db2.gz JSMRGFIUPDVWCC-GOSISDBHSA-N 2 2 394.560 0.936 20 0 GCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000246012476 1197442799 /nfs/dbraw/zinc/44/27/99/1197442799.db2.gz TZYJVWIFCAJJDG-RDJZCZTQSA-N 2 2 386.562 0.621 20 0 GCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000246012476 1197442801 /nfs/dbraw/zinc/44/28/01/1197442801.db2.gz TZYJVWIFCAJJDG-RDJZCZTQSA-N 2 2 386.562 0.621 20 0 GCADLP COC(=O)CNC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000533484700 1197454803 /nfs/dbraw/zinc/45/48/03/1197454803.db2.gz QZOFBFSWSXXBKQ-INIZCTEOSA-N 3 2 382.549 0.792 20 0 GCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000533484700 1197454806 /nfs/dbraw/zinc/45/48/06/1197454806.db2.gz QZOFBFSWSXXBKQ-INIZCTEOSA-N 3 2 382.549 0.792 20 0 GCADLP Cc1ccc(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000533582341 1197459829 /nfs/dbraw/zinc/45/98/29/1197459829.db2.gz DMMZGRXFWPLLTG-UHFFFAOYSA-N 2 2 376.501 0.827 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1=O ZINC000246361423 1197465775 /nfs/dbraw/zinc/46/57/75/1197465775.db2.gz FKMXFGOGJAQCRS-WNRNVDISSA-N 2 2 380.533 0.545 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1=O ZINC000246361423 1197465781 /nfs/dbraw/zinc/46/57/81/1197465781.db2.gz FKMXFGOGJAQCRS-WNRNVDISSA-N 2 2 380.533 0.545 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000069229402 1197468492 /nfs/dbraw/zinc/46/84/92/1197468492.db2.gz OVCPAVQXUVZSON-RBUKOAKNSA-N 2 2 388.512 0.586 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000249766812 1197483262 /nfs/dbraw/zinc/48/32/62/1197483262.db2.gz PRJJQPIYFKXEMG-KBPBESRZSA-N 2 2 378.439 0.928 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000249766812 1197483265 /nfs/dbraw/zinc/48/32/65/1197483265.db2.gz PRJJQPIYFKXEMG-KBPBESRZSA-N 2 2 378.439 0.928 20 0 GCADLP O=C(CC[C@H]1CC[NH2+]C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261898466 1197518099 /nfs/dbraw/zinc/51/80/99/1197518099.db2.gz YJTZNRONNGUFJH-INIZCTEOSA-N 2 2 395.529 0.039 20 0 GCADLP COc1ccc(C[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000261977080 1197521655 /nfs/dbraw/zinc/52/16/55/1197521655.db2.gz BTNLYOSZNPHLLY-QGZVFWFLSA-N 2 2 395.525 0.506 20 0 GCADLP COc1ccc(C[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000261977080 1197521657 /nfs/dbraw/zinc/52/16/57/1197521657.db2.gz BTNLYOSZNPHLLY-QGZVFWFLSA-N 2 2 395.525 0.506 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000265717764 1198986598 /nfs/dbraw/zinc/98/65/98/1198986598.db2.gz FQJJDMHXTAJAEG-VQTJNVASSA-N 2 2 390.528 0.950 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000265717764 1198986604 /nfs/dbraw/zinc/98/66/04/1198986604.db2.gz FQJJDMHXTAJAEG-VQTJNVASSA-N 2 2 390.528 0.950 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672014716 1199004265 /nfs/dbraw/zinc/00/42/65/1199004265.db2.gz OUZHOJLHHPURLR-SJLPKXTDSA-N 2 2 380.533 0.546 20 0 GCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672029515 1199015488 /nfs/dbraw/zinc/01/54/88/1199015488.db2.gz JUAZWGMBCNXNAR-KBAYOESNSA-N 2 2 380.533 0.545 20 0 GCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672029515 1199015492 /nfs/dbraw/zinc/01/54/92/1199015492.db2.gz JUAZWGMBCNXNAR-KBAYOESNSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000542849547 1199075103 /nfs/dbraw/zinc/07/51/03/1199075103.db2.gz CXHUMHSQOOBVRF-VQIMIIECSA-N 2 2 376.501 0.773 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000542849547 1199075111 /nfs/dbraw/zinc/07/51/11/1199075111.db2.gz CXHUMHSQOOBVRF-VQIMIIECSA-N 2 2 376.501 0.773 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542849547 1199075114 /nfs/dbraw/zinc/07/51/14/1199075114.db2.gz CXHUMHSQOOBVRF-VQIMIIECSA-N 2 2 376.501 0.773 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542849547 1199075118 /nfs/dbraw/zinc/07/51/18/1199075118.db2.gz CXHUMHSQOOBVRF-VQIMIIECSA-N 2 2 376.501 0.773 20 0 GCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000542849545 1199075931 /nfs/dbraw/zinc/07/59/31/1199075931.db2.gz CXHUMHSQOOBVRF-QFBILLFUSA-N 2 2 376.501 0.773 20 0 GCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000542849545 1199075936 /nfs/dbraw/zinc/07/59/36/1199075936.db2.gz CXHUMHSQOOBVRF-QFBILLFUSA-N 2 2 376.501 0.773 20 0 GCADLP C[C@H]1COCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542849545 1199075944 /nfs/dbraw/zinc/07/59/44/1199075944.db2.gz CXHUMHSQOOBVRF-QFBILLFUSA-N 2 2 376.501 0.773 20 0 GCADLP C[C@H]1COCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542849545 1199075948 /nfs/dbraw/zinc/07/59/48/1199075948.db2.gz CXHUMHSQOOBVRF-QFBILLFUSA-N 2 2 376.501 0.773 20 0 GCADLP COC(=O)C1(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000542851940 1199078178 /nfs/dbraw/zinc/07/81/78/1199078178.db2.gz MXTWOGXJEDIEEL-UHFFFAOYSA-N 2 2 396.532 0.814 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465842456 1199081377 /nfs/dbraw/zinc/08/13/77/1199081377.db2.gz MMNIPPUQEMLNQY-MSOLQXFVSA-N 2 2 395.548 0.435 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465842456 1199081382 /nfs/dbraw/zinc/08/13/82/1199081382.db2.gz MMNIPPUQEMLNQY-MSOLQXFVSA-N 2 2 395.548 0.435 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000656081263 1199093272 /nfs/dbraw/zinc/09/32/72/1199093272.db2.gz CSBPDJCFEUFXFZ-UHFFFAOYSA-N 2 2 382.549 0.888 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000656081263 1199093281 /nfs/dbraw/zinc/09/32/81/1199093281.db2.gz CSBPDJCFEUFXFZ-UHFFFAOYSA-N 2 2 382.549 0.888 20 0 GCADLP CC(C)[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000109393215 1199096656 /nfs/dbraw/zinc/09/66/56/1199096656.db2.gz JABWTGAOPOUYCZ-SFHVURJKSA-N 2 2 396.580 0.110 20 0 GCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000672165697 1199150159 /nfs/dbraw/zinc/15/01/59/1199150159.db2.gz FJWKFJXRMZGMFW-KRWDZBQOSA-N 2 2 389.500 0.394 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000672278696 1199186718 /nfs/dbraw/zinc/18/67/18/1199186718.db2.gz HZOXUWWVGPHIBX-NXHRZFHOSA-N 2 2 380.533 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000672278696 1199186720 /nfs/dbraw/zinc/18/67/20/1199186720.db2.gz HZOXUWWVGPHIBX-NXHRZFHOSA-N 2 2 380.533 0.687 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656360224 1199192068 /nfs/dbraw/zinc/19/20/68/1199192068.db2.gz SHDSHSLEIDPBAD-RCCFBDPRSA-N 2 2 378.517 0.443 20 0 GCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656360224 1199192071 /nfs/dbraw/zinc/19/20/71/1199192071.db2.gz SHDSHSLEIDPBAD-RCCFBDPRSA-N 2 2 378.517 0.443 20 0 GCADLP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330368 1199209913 /nfs/dbraw/zinc/20/99/13/1199209913.db2.gz YCPISBVXFUGVBU-INIZCTEOSA-N 3 2 379.549 0.262 20 0 GCADLP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330368 1199209914 /nfs/dbraw/zinc/20/99/14/1199209914.db2.gz YCPISBVXFUGVBU-INIZCTEOSA-N 3 2 379.549 0.262 20 0 GCADLP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330368 1199209917 /nfs/dbraw/zinc/20/99/17/1199209917.db2.gz YCPISBVXFUGVBU-INIZCTEOSA-N 3 2 379.549 0.262 20 0 GCADLP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330368 1199209922 /nfs/dbraw/zinc/20/99/22/1199209922.db2.gz YCPISBVXFUGVBU-INIZCTEOSA-N 3 2 379.549 0.262 20 0 GCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000465946071 1199212657 /nfs/dbraw/zinc/21/26/57/1199212657.db2.gz BKNCDOAZKWYAEA-IAGOWNOFSA-N 2 2 381.521 0.080 20 0 GCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000465946071 1199212660 /nfs/dbraw/zinc/21/26/60/1199212660.db2.gz BKNCDOAZKWYAEA-IAGOWNOFSA-N 2 2 381.521 0.080 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465949332 1199214617 /nfs/dbraw/zinc/21/46/17/1199214617.db2.gz DZKCCGPEPOVJPD-QGZVFWFLSA-N 3 2 396.580 0.241 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465949332 1199214619 /nfs/dbraw/zinc/21/46/19/1199214619.db2.gz DZKCCGPEPOVJPD-QGZVFWFLSA-N 3 2 396.580 0.241 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949332 1199214621 /nfs/dbraw/zinc/21/46/21/1199214621.db2.gz DZKCCGPEPOVJPD-QGZVFWFLSA-N 3 2 396.580 0.241 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949332 1199214625 /nfs/dbraw/zinc/21/46/25/1199214625.db2.gz DZKCCGPEPOVJPD-QGZVFWFLSA-N 3 2 396.580 0.241 20 0 GCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1C ZINC000672524859 1199258046 /nfs/dbraw/zinc/25/80/46/1199258046.db2.gz NTLHHQQIWPLILI-QGZVFWFLSA-N 2 2 398.511 0.835 20 0 GCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C ZINC000672524859 1199258047 /nfs/dbraw/zinc/25/80/47/1199258047.db2.gz NTLHHQQIWPLILI-QGZVFWFLSA-N 2 2 398.511 0.835 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)c3ccncc3)C2)CC1 ZINC000672562695 1199269633 /nfs/dbraw/zinc/26/96/33/1199269633.db2.gz YFHNYUXAXJRMLW-KRWDZBQOSA-N 2 2 387.528 0.760 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)c3ccncc3)C2)CC1 ZINC000672562695 1199269637 /nfs/dbraw/zinc/26/96/37/1199269637.db2.gz YFHNYUXAXJRMLW-KRWDZBQOSA-N 2 2 387.528 0.760 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC4(CCCC4)C3)C2)CC1 ZINC000672637657 1199288317 /nfs/dbraw/zinc/28/83/17/1199288317.db2.gz LTKWNHFOKONDPD-IRXDYDNUSA-N 2 2 392.544 0.879 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC4(CCCC4)C3)C2)CC1 ZINC000672637657 1199288319 /nfs/dbraw/zinc/28/83/19/1199288319.db2.gz LTKWNHFOKONDPD-IRXDYDNUSA-N 2 2 392.544 0.879 20 0 GCADLP COc1cccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672638497 1199288368 /nfs/dbraw/zinc/28/83/68/1199288368.db2.gz QZPGWJKWSCFFDH-QGZVFWFLSA-N 2 2 388.512 0.938 20 0 GCADLP COc1cccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672638497 1199288372 /nfs/dbraw/zinc/28/83/72/1199288372.db2.gz QZPGWJKWSCFFDH-QGZVFWFLSA-N 2 2 388.512 0.938 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCCO)CC(C)(C)C)C2)CC1 ZINC000672638466 1199288846 /nfs/dbraw/zinc/28/88/46/1199288846.db2.gz SRMBBTJWHNGIJG-INIZCTEOSA-N 2 2 382.549 0.528 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCCO)CC(C)(C)C)C2)CC1 ZINC000672638466 1199288848 /nfs/dbraw/zinc/28/88/48/1199288848.db2.gz SRMBBTJWHNGIJG-INIZCTEOSA-N 2 2 382.549 0.528 20 0 GCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638508 1199289107 /nfs/dbraw/zinc/28/91/07/1199289107.db2.gz RSZYUZFWXQIQSV-MSOLQXFVSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638508 1199289112 /nfs/dbraw/zinc/28/91/12/1199289112.db2.gz RSZYUZFWXQIQSV-MSOLQXFVSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638508 1199289115 /nfs/dbraw/zinc/28/91/15/1199289115.db2.gz RSZYUZFWXQIQSV-MSOLQXFVSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638508 1199289119 /nfs/dbraw/zinc/28/91/19/1199289119.db2.gz RSZYUZFWXQIQSV-MSOLQXFVSA-N 3 2 393.576 0.365 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCCC4)C3)C2)CC1 ZINC000672637658 1199289253 /nfs/dbraw/zinc/28/92/53/1199289253.db2.gz LTKWNHFOKONDPD-SJORKVTESA-N 2 2 392.544 0.879 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCCC4)C3)C2)CC1 ZINC000672637658 1199289256 /nfs/dbraw/zinc/28/92/56/1199289256.db2.gz LTKWNHFOKONDPD-SJORKVTESA-N 2 2 392.544 0.879 20 0 GCADLP CC(C)C[C@H](CCO)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638506 1199289338 /nfs/dbraw/zinc/28/93/38/1199289338.db2.gz RCUVMUQXAWXKSM-IRXDYDNUSA-N 2 2 382.549 0.432 20 0 GCADLP CC(C)C[C@H](CCO)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638506 1199289344 /nfs/dbraw/zinc/28/93/44/1199289344.db2.gz RCUVMUQXAWXKSM-IRXDYDNUSA-N 2 2 382.549 0.432 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672639322 1199290301 /nfs/dbraw/zinc/29/03/01/1199290301.db2.gz KXWMLJJGMCISFN-GDBMZVCRSA-N 2 2 378.473 0.368 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672639322 1199290304 /nfs/dbraw/zinc/29/03/04/1199290304.db2.gz KXWMLJJGMCISFN-GDBMZVCRSA-N 2 2 378.473 0.368 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](OCC4CC4)C3)C2)CC1 ZINC000672638650 1199290430 /nfs/dbraw/zinc/29/04/30/1199290430.db2.gz UHQZSZMIYNZZQT-HKUYNNGSSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](OCC4CC4)C3)C2)CC1 ZINC000672638650 1199290436 /nfs/dbraw/zinc/29/04/36/1199290436.db2.gz UHQZSZMIYNZZQT-HKUYNNGSSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOc4ccccc4C3)C2)CC1 ZINC000672637693 1199290799 /nfs/dbraw/zinc/29/07/99/1199290799.db2.gz MOGFIZBIWJZDGA-KRWDZBQOSA-N 2 2 386.496 0.692 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOc4ccccc4C3)C2)CC1 ZINC000672637693 1199290805 /nfs/dbraw/zinc/29/08/05/1199290805.db2.gz MOGFIZBIWJZDGA-KRWDZBQOSA-N 2 2 386.496 0.692 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3nc(C4CC4)cs3)C2)CC1 ZINC000672639562 1199290917 /nfs/dbraw/zinc/29/09/17/1199290917.db2.gz QQOMPCRNRPZJML-AWEZNQCLSA-N 2 2 391.541 0.921 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3nc(C4CC4)cs3)C2)CC1 ZINC000672639562 1199290919 /nfs/dbraw/zinc/29/09/19/1199290919.db2.gz QQOMPCRNRPZJML-AWEZNQCLSA-N 2 2 391.541 0.921 20 0 GCADLP C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672637752 1199291130 /nfs/dbraw/zinc/29/11/30/1199291130.db2.gz OBNFIPRCZLOVDU-LSDHHAIUSA-N 2 2 393.557 0.990 20 0 GCADLP C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672637752 1199291134 /nfs/dbraw/zinc/29/11/34/1199291134.db2.gz OBNFIPRCZLOVDU-LSDHHAIUSA-N 2 2 393.557 0.990 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637818 1199291371 /nfs/dbraw/zinc/29/13/71/1199291371.db2.gz CUKKXEIDGBRUIM-SJLPKXTDSA-N 3 2 379.549 0.214 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637818 1199291377 /nfs/dbraw/zinc/29/13/77/1199291377.db2.gz CUKKXEIDGBRUIM-SJLPKXTDSA-N 3 2 379.549 0.214 20 0 GCADLP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637821 1199292121 /nfs/dbraw/zinc/29/21/21/1199292121.db2.gz CYCYKYVOXCTEMG-IKGGRYGDSA-N 2 2 380.533 0.593 20 0 GCADLP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637821 1199292123 /nfs/dbraw/zinc/29/21/23/1199292123.db2.gz CYCYKYVOXCTEMG-IKGGRYGDSA-N 2 2 380.533 0.593 20 0 GCADLP CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672638849 1199293032 /nfs/dbraw/zinc/29/30/32/1199293032.db2.gz YYCDGGRHRZVSTC-CGTJXYLNSA-N 2 2 394.560 0.933 20 0 GCADLP CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672638849 1199293036 /nfs/dbraw/zinc/29/30/36/1199293036.db2.gz YYCDGGRHRZVSTC-CGTJXYLNSA-N 2 2 394.560 0.933 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638937 1199293660 /nfs/dbraw/zinc/29/36/60/1199293660.db2.gz WIYZCLTZQMUMJE-GOSISDBHSA-N 3 2 393.576 0.461 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638937 1199293665 /nfs/dbraw/zinc/29/36/65/1199293665.db2.gz WIYZCLTZQMUMJE-GOSISDBHSA-N 3 2 393.576 0.461 20 0 GCADLP Cc1cnc([C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640299 1199293711 /nfs/dbraw/zinc/29/37/11/1199293711.db2.gz YZIWHRAGCMHADI-ZFWWWQNUSA-N 2 2 393.557 0.956 20 0 GCADLP Cc1cnc([C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640299 1199293717 /nfs/dbraw/zinc/29/37/17/1199293717.db2.gz YZIWHRAGCMHADI-ZFWWWQNUSA-N 2 2 393.557 0.956 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640417 1199293979 /nfs/dbraw/zinc/29/39/79/1199293979.db2.gz DSHBYTKSWRQXOM-DOTOQJQBSA-N 3 2 377.533 0.038 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640417 1199293983 /nfs/dbraw/zinc/29/39/83/1199293983.db2.gz DSHBYTKSWRQXOM-DOTOQJQBSA-N 3 2 377.533 0.038 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640417 1199293986 /nfs/dbraw/zinc/29/39/86/1199293986.db2.gz DSHBYTKSWRQXOM-DOTOQJQBSA-N 3 2 377.533 0.038 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640417 1199293988 /nfs/dbraw/zinc/29/39/88/1199293988.db2.gz DSHBYTKSWRQXOM-DOTOQJQBSA-N 3 2 377.533 0.038 20 0 GCADLP CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672638848 1199294206 /nfs/dbraw/zinc/29/42/06/1199294206.db2.gz YYCDGGRHRZVSTC-BPQIPLTHSA-N 2 2 394.560 0.933 20 0 GCADLP CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672638848 1199294208 /nfs/dbraw/zinc/29/42/08/1199294208.db2.gz YYCDGGRHRZVSTC-BPQIPLTHSA-N 2 2 394.560 0.933 20 0 GCADLP CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672638851 1199294420 /nfs/dbraw/zinc/29/44/20/1199294420.db2.gz YYCDGGRHRZVSTC-RYQLBKOJSA-N 2 2 394.560 0.933 20 0 GCADLP CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672638851 1199294429 /nfs/dbraw/zinc/29/44/29/1199294429.db2.gz YYCDGGRHRZVSTC-RYQLBKOJSA-N 2 2 394.560 0.933 20 0 GCADLP COCCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639913 1199296268 /nfs/dbraw/zinc/29/62/68/1199296268.db2.gz UBTRSFATDWIRPP-MRXNPFEDSA-N 2 2 392.500 0.539 20 0 GCADLP COCCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639913 1199296272 /nfs/dbraw/zinc/29/62/72/1199296272.db2.gz UBTRSFATDWIRPP-MRXNPFEDSA-N 2 2 392.500 0.539 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccc(F)cc4C3)C2)CC1 ZINC000672639637 1199296338 /nfs/dbraw/zinc/29/63/38/1199296338.db2.gz MVDHZPRMGIVIFY-SFHVURJKSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccc(F)cc4C3)C2)CC1 ZINC000672639637 1199296342 /nfs/dbraw/zinc/29/63/42/1199296342.db2.gz MVDHZPRMGIVIFY-SFHVURJKSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)C2)CC1 ZINC000672641087 1199297364 /nfs/dbraw/zinc/29/73/64/1199297364.db2.gz KZGRIJDDVFIGLC-RYRKJORJSA-N 2 2 394.560 0.981 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)C2)CC1 ZINC000672641087 1199297366 /nfs/dbraw/zinc/29/73/66/1199297366.db2.gz KZGRIJDDVFIGLC-RYRKJORJSA-N 2 2 394.560 0.981 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4CC3)C2)CC1 ZINC000672641449 1199297788 /nfs/dbraw/zinc/29/77/88/1199297788.db2.gz RPRSDUPINFBCBR-LJQANCHMSA-N 2 2 384.524 0.899 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4CC3)C2)CC1 ZINC000672641449 1199297791 /nfs/dbraw/zinc/29/77/91/1199297791.db2.gz RPRSDUPINFBCBR-LJQANCHMSA-N 2 2 384.524 0.899 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4cccc(F)c4C3)C2)CC1 ZINC000672640807 1199297996 /nfs/dbraw/zinc/29/79/96/1199297996.db2.gz KXPQYNNGBJYINZ-MRXNPFEDSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4cccc(F)c4C3)C2)CC1 ZINC000672640807 1199298001 /nfs/dbraw/zinc/29/80/01/1199298001.db2.gz KXPQYNNGBJYINZ-MRXNPFEDSA-N 2 2 388.487 0.995 20 0 GCADLP CN(Cc1cc(Cl)cn1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640687 1199298393 /nfs/dbraw/zinc/29/83/93/1199298393.db2.gz GJFVETIXHMQURD-HNNXBMFYSA-N 2 2 395.935 0.922 20 0 GCADLP CN(Cc1cc(Cl)cn1C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640687 1199298397 /nfs/dbraw/zinc/29/83/97/1199298397.db2.gz GJFVETIXHMQURD-HNNXBMFYSA-N 2 2 395.935 0.922 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641030 1199299051 /nfs/dbraw/zinc/29/90/51/1199299051.db2.gz KDNCJZSXYOZXFK-ZIFCJYIRSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641030 1199299053 /nfs/dbraw/zinc/29/90/53/1199299053.db2.gz KDNCJZSXYOZXFK-ZIFCJYIRSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641030 1199299060 /nfs/dbraw/zinc/29/90/60/1199299060.db2.gz KDNCJZSXYOZXFK-ZIFCJYIRSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641030 1199299063 /nfs/dbraw/zinc/29/90/63/1199299063.db2.gz KDNCJZSXYOZXFK-ZIFCJYIRSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC[C@H]3CCCCO3)C2)CC1 ZINC000672642129 1199299720 /nfs/dbraw/zinc/29/97/20/1199299720.db2.gz YMRXDRZGABGPEX-FUHWJXTLSA-N 2 2 380.533 0.737 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC[C@H]3CCCCO3)C2)CC1 ZINC000672642129 1199299726 /nfs/dbraw/zinc/29/97/26/1199299726.db2.gz YMRXDRZGABGPEX-FUHWJXTLSA-N 2 2 380.533 0.737 20 0 GCADLP COCCC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672642490 1199300329 /nfs/dbraw/zinc/30/03/29/1199300329.db2.gz LWPLIHZYTWDUQM-KRWDZBQOSA-N 2 2 394.560 0.984 20 0 GCADLP COCCC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672642490 1199300333 /nfs/dbraw/zinc/30/03/33/1199300333.db2.gz LWPLIHZYTWDUQM-KRWDZBQOSA-N 2 2 394.560 0.984 20 0 GCADLP Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641583 1199300530 /nfs/dbraw/zinc/30/05/30/1199300530.db2.gz RNPUVZSGZHSGNE-WFASDCNBSA-N 2 2 377.489 0.753 20 0 GCADLP Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641583 1199300532 /nfs/dbraw/zinc/30/05/32/1199300532.db2.gz RNPUVZSGZHSGNE-WFASDCNBSA-N 2 2 377.489 0.753 20 0 GCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642483 1199300609 /nfs/dbraw/zinc/30/06/09/1199300609.db2.gz BMQDISWDHHQYCN-IRXDYDNUSA-N 3 2 379.549 0.260 20 0 GCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642483 1199300614 /nfs/dbraw/zinc/30/06/14/1199300614.db2.gz BMQDISWDHHQYCN-IRXDYDNUSA-N 3 2 379.549 0.260 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([C@H]4CCOC4)C3)C2)CC1 ZINC000672642089 1199300776 /nfs/dbraw/zinc/30/07/76/1199300776.db2.gz XMTYJSQADQIBOY-ULQDDVLXSA-N 2 2 378.517 0.156 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([C@H]4CCOC4)C3)C2)CC1 ZINC000672642089 1199300784 /nfs/dbraw/zinc/30/07/84/1199300784.db2.gz XMTYJSQADQIBOY-ULQDDVLXSA-N 2 2 378.517 0.156 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643398 1199302385 /nfs/dbraw/zinc/30/23/85/1199302385.db2.gz XAWGBVBPZDDKNR-WMZOPIPTSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643398 1199302394 /nfs/dbraw/zinc/30/23/94/1199302394.db2.gz XAWGBVBPZDDKNR-WMZOPIPTSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643398 1199302398 /nfs/dbraw/zinc/30/23/98/1199302398.db2.gz XAWGBVBPZDDKNR-WMZOPIPTSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643398 1199302400 /nfs/dbraw/zinc/30/24/00/1199302400.db2.gz XAWGBVBPZDDKNR-WMZOPIPTSA-N 3 2 393.576 0.508 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643212 1199302603 /nfs/dbraw/zinc/30/26/03/1199302603.db2.gz UWSKIVAZRVJUEF-AOIWGVFYSA-N 3 2 393.576 0.602 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643212 1199302608 /nfs/dbraw/zinc/30/26/08/1199302608.db2.gz UWSKIVAZRVJUEF-AOIWGVFYSA-N 3 2 393.576 0.602 20 0 GCADLP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643212 1199302614 /nfs/dbraw/zinc/30/26/14/1199302614.db2.gz UWSKIVAZRVJUEF-AOIWGVFYSA-N 3 2 393.576 0.602 20 0 GCADLP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643212 1199302620 /nfs/dbraw/zinc/30/26/20/1199302620.db2.gz UWSKIVAZRVJUEF-AOIWGVFYSA-N 3 2 393.576 0.602 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641891 1199302837 /nfs/dbraw/zinc/30/28/37/1199302837.db2.gz ZRWWMVBPXJEVTR-QFBILLFUSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641891 1199302840 /nfs/dbraw/zinc/30/28/40/1199302840.db2.gz ZRWWMVBPXJEVTR-QFBILLFUSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641891 1199302842 /nfs/dbraw/zinc/30/28/42/1199302842.db2.gz ZRWWMVBPXJEVTR-QFBILLFUSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641891 1199302846 /nfs/dbraw/zinc/30/28/46/1199302846.db2.gz ZRWWMVBPXJEVTR-QFBILLFUSA-N 3 2 391.560 0.404 20 0 GCADLP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641891 1199302850 /nfs/dbraw/zinc/30/28/50/1199302850.db2.gz ZRWWMVBPXJEVTR-QFBILLFUSA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641891 1199302856 /nfs/dbraw/zinc/30/28/56/1199302856.db2.gz ZRWWMVBPXJEVTR-QFBILLFUSA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641891 1199302861 /nfs/dbraw/zinc/30/28/61/1199302861.db2.gz ZRWWMVBPXJEVTR-QFBILLFUSA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641891 1199302864 /nfs/dbraw/zinc/30/28/64/1199302864.db2.gz ZRWWMVBPXJEVTR-QFBILLFUSA-N 2 2 391.560 0.404 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672642615 1199304362 /nfs/dbraw/zinc/30/43/62/1199304362.db2.gz PTOYEVIUAZBXNZ-QGZVFWFLSA-N 2 2 379.549 0.071 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672643114 1199304541 /nfs/dbraw/zinc/30/45/41/1199304541.db2.gz QSOFNOYUHOXLNP-UONOGXRCSA-N 2 2 379.530 0.648 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672643114 1199304544 /nfs/dbraw/zinc/30/45/44/1199304544.db2.gz QSOFNOYUHOXLNP-UONOGXRCSA-N 2 2 379.530 0.648 20 0 GCADLP C[C@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642903 1199305083 /nfs/dbraw/zinc/30/50/83/1199305083.db2.gz JQTXBLXWQKMAIE-MSOLQXFVSA-N 3 2 393.576 0.652 20 0 GCADLP C[C@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642903 1199305086 /nfs/dbraw/zinc/30/50/86/1199305086.db2.gz JQTXBLXWQKMAIE-MSOLQXFVSA-N 3 2 393.576 0.652 20 0 GCADLP Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672642885 1199305540 /nfs/dbraw/zinc/30/55/40/1199305540.db2.gz IXAMVMRUWHNQEY-NVXWUHKLSA-N 2 2 389.500 0.931 20 0 GCADLP Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672642885 1199305543 /nfs/dbraw/zinc/30/55/43/1199305543.db2.gz IXAMVMRUWHNQEY-NVXWUHKLSA-N 2 2 389.500 0.931 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC4(C3)CCOCC4)C2)CC1 ZINC000672642839 1199306365 /nfs/dbraw/zinc/30/63/65/1199306365.db2.gz WECOFAYXXAYJQA-INIZCTEOSA-N 2 2 378.517 0.300 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC4(C3)CCOCC4)C2)CC1 ZINC000672642839 1199306382 /nfs/dbraw/zinc/30/63/82/1199306382.db2.gz WECOFAYXXAYJQA-INIZCTEOSA-N 2 2 378.517 0.300 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000672642833 1199306403 /nfs/dbraw/zinc/30/64/03/1199306403.db2.gz VXTYWSJGDIOIBQ-KRWDZBQOSA-N 3 2 393.576 0.509 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000672642833 1199306409 /nfs/dbraw/zinc/30/64/09/1199306409.db2.gz VXTYWSJGDIOIBQ-KRWDZBQOSA-N 3 2 393.576 0.509 20 0 GCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000672722548 1199321626 /nfs/dbraw/zinc/32/16/26/1199321626.db2.gz WFLFGTVHWMXOHD-SJORKVTESA-N 2 2 382.549 0.792 20 0 GCADLP CN(C(=O)C(=O)NCc1ccc(F)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672824044 1199344694 /nfs/dbraw/zinc/34/46/94/1199344694.db2.gz UUSNTOUFOPDNKN-KRWDZBQOSA-N 2 2 377.464 0.464 20 0 GCADLP CN(C(=O)C(=O)NCc1ccc(F)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672824044 1199344698 /nfs/dbraw/zinc/34/46/98/1199344698.db2.gz UUSNTOUFOPDNKN-KRWDZBQOSA-N 2 2 377.464 0.464 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672869734 1199356063 /nfs/dbraw/zinc/35/60/63/1199356063.db2.gz DXAJANAYGBGELG-WBVHZDCISA-N 2 2 380.533 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672869734 1199356068 /nfs/dbraw/zinc/35/60/68/1199356068.db2.gz DXAJANAYGBGELG-WBVHZDCISA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672937154 1199372620 /nfs/dbraw/zinc/37/26/20/1199372620.db2.gz ZCFCHFNLSRIOPB-KYHPRHEASA-N 2 2 380.533 0.686 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672937154 1199372629 /nfs/dbraw/zinc/37/26/29/1199372629.db2.gz ZCFCHFNLSRIOPB-KYHPRHEASA-N 2 2 380.533 0.686 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3CNC4=O)C2)CC1 ZINC000672969769 1199380728 /nfs/dbraw/zinc/38/07/28/1199380728.db2.gz KOSLAXNCRFRTRR-CYBMUJFWSA-N 2 2 385.468 0.153 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3CNC4=O)C2)CC1 ZINC000672969769 1199380732 /nfs/dbraw/zinc/38/07/32/1199380732.db2.gz KOSLAXNCRFRTRR-CYBMUJFWSA-N 2 2 385.468 0.153 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673054341 1199401214 /nfs/dbraw/zinc/40/12/14/1199401214.db2.gz HQMVOKLSVZOEQR-FJIDUMEYSA-N 2 2 392.544 0.543 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673054341 1199401218 /nfs/dbraw/zinc/40/12/18/1199401218.db2.gz HQMVOKLSVZOEQR-FJIDUMEYSA-N 2 2 392.544 0.543 20 0 GCADLP CCc1ccnc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673169933 1199462262 /nfs/dbraw/zinc/46/22/62/1199462262.db2.gz NGCACGAPYFVDSH-LJQANCHMSA-N 2 2 387.528 0.887 20 0 GCADLP CCc1ccnc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673169933 1199462265 /nfs/dbraw/zinc/46/22/65/1199462265.db2.gz NGCACGAPYFVDSH-LJQANCHMSA-N 2 2 387.528 0.887 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[C@@H](C)O1 ZINC000673285862 1199521425 /nfs/dbraw/zinc/52/14/25/1199521425.db2.gz QMWPTAUFXBEBPG-MDZRGWNJSA-N 2 2 388.512 0.905 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H](C)O1 ZINC000673285862 1199521427 /nfs/dbraw/zinc/52/14/27/1199521427.db2.gz QMWPTAUFXBEBPG-MDZRGWNJSA-N 2 2 388.512 0.905 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001003661897 1199618320 /nfs/dbraw/zinc/61/83/20/1199618320.db2.gz JBQMOMVLHQBDFS-AHCXZYCDSA-N 2 2 382.468 0.899 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn3c[nH+]cc3c2)O1 ZINC001003703481 1199639126 /nfs/dbraw/zinc/63/91/26/1199639126.db2.gz GFMOBEOUPHYMAV-NPIHVYMDSA-N 2 2 397.479 0.915 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn3c[nH+]cc3c2)O1 ZINC001003703481 1199639130 /nfs/dbraw/zinc/63/91/30/1199639130.db2.gz GFMOBEOUPHYMAV-NPIHVYMDSA-N 2 2 397.479 0.915 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673436221 1199644072 /nfs/dbraw/zinc/64/40/72/1199644072.db2.gz IEAAGSZXLYADQZ-MOPGFXCFSA-N 2 2 394.560 0.935 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673436221 1199644076 /nfs/dbraw/zinc/64/40/76/1199644076.db2.gz IEAAGSZXLYADQZ-MOPGFXCFSA-N 2 2 394.560 0.935 20 0 GCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001003864189 1199689894 /nfs/dbraw/zinc/68/98/94/1199689894.db2.gz GSHKGDWRXFMPSP-ZJPYXAASSA-N 2 2 378.517 0.441 20 0 GCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001003864189 1199689897 /nfs/dbraw/zinc/68/98/97/1199689897.db2.gz GSHKGDWRXFMPSP-ZJPYXAASSA-N 2 2 378.517 0.441 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673585047 1199828709 /nfs/dbraw/zinc/82/87/09/1199828709.db2.gz PSQDMKJKSYGFPL-RCCFBDPRSA-N 2 2 389.500 0.541 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673585045 1199828821 /nfs/dbraw/zinc/82/88/21/1199828821.db2.gz PSQDMKJKSYGFPL-KURKYZTESA-N 2 2 389.500 0.541 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(NS(C)(=O)=O)nc3)CC2)CC1 ZINC000624934360 1199838061 /nfs/dbraw/zinc/83/80/61/1199838061.db2.gz FFVUSGLQBIJFLH-UHFFFAOYSA-N 2 2 395.529 0.742 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000673672126 1199926786 /nfs/dbraw/zinc/92/67/86/1199926786.db2.gz BWYKPAYMEQJCSN-WOJBJXKFSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000673672126 1199926788 /nfs/dbraw/zinc/92/67/88/1199926788.db2.gz BWYKPAYMEQJCSN-WOJBJXKFSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673672126 1199926790 /nfs/dbraw/zinc/92/67/90/1199926790.db2.gz BWYKPAYMEQJCSN-WOJBJXKFSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673672126 1199926791 /nfs/dbraw/zinc/92/67/91/1199926791.db2.gz BWYKPAYMEQJCSN-WOJBJXKFSA-N 2 2 387.528 0.569 20 0 GCADLP CN(C(=O)c1ccnc2ccnn21)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000625325624 1199935644 /nfs/dbraw/zinc/93/56/44/1199935644.db2.gz VSNANIHJLGOGNI-UHFFFAOYSA-N 2 2 399.499 0.040 20 0 GCADLP CCC(O)(CC)CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625468718 1199963233 /nfs/dbraw/zinc/96/32/33/1199963233.db2.gz UBMKXJPUZQQZCC-KRWDZBQOSA-N 2 2 382.549 0.623 20 0 GCADLP CCC(O)(CC)CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625468718 1199963236 /nfs/dbraw/zinc/96/32/36/1199963236.db2.gz UBMKXJPUZQQZCC-KRWDZBQOSA-N 2 2 382.549 0.623 20 0 GCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000670429498 1199992210 /nfs/dbraw/zinc/99/22/10/1199992210.db2.gz JOTRISQXVKZWTA-NXOAAHMSSA-N 2 2 380.533 0.686 20 0 GCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000670429498 1199992213 /nfs/dbraw/zinc/99/22/13/1199992213.db2.gz JOTRISQXVKZWTA-NXOAAHMSSA-N 2 2 380.533 0.686 20 0 GCADLP COC1CC[NH+](CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000674316978 1200216701 /nfs/dbraw/zinc/21/67/01/1200216701.db2.gz NWSHMXCOUIVNOF-UHFFFAOYSA-N 2 2 380.493 0.448 20 0 GCADLP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000946819788 1200263679 /nfs/dbraw/zinc/26/36/79/1200263679.db2.gz JRDBLRDUQFKZSS-YFHUEUNASA-N 2 2 389.500 0.350 20 0 GCADLP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000946819788 1200263684 /nfs/dbraw/zinc/26/36/84/1200263684.db2.gz JRDBLRDUQFKZSS-YFHUEUNASA-N 2 2 389.500 0.350 20 0 GCADLP CN(C(=O)C(=O)NCC[C@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000867441617 1200416825 /nfs/dbraw/zinc/41/68/25/1200416825.db2.gz TVYUBLQTQDFTTM-DOTOQJQBSA-N 2 2 382.574 0.873 20 0 GCADLP CN(C(=O)C(=O)NCC[C@H]1CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000867441617 1200416828 /nfs/dbraw/zinc/41/68/28/1200416828.db2.gz TVYUBLQTQDFTTM-DOTOQJQBSA-N 2 2 382.574 0.873 20 0 GCADLP c1cnc(N2CC[NH+](CCCNc3nc(N4CCOCC4)cc[nH+]3)CC2)nc1 ZINC000675720294 1200456391 /nfs/dbraw/zinc/45/63/91/1200456391.db2.gz OOYXCDRBWXSTHL-UHFFFAOYSA-N 2 2 384.488 0.727 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676043897 1200480181 /nfs/dbraw/zinc/48/01/81/1200480181.db2.gz YGNLFILZPMWLHP-XKQJLSEDSA-N 2 2 396.919 0.894 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676043897 1200480185 /nfs/dbraw/zinc/48/01/85/1200480185.db2.gz YGNLFILZPMWLHP-XKQJLSEDSA-N 2 2 396.919 0.894 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)OCC1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118047894 1200495402 /nfs/dbraw/zinc/49/54/02/1200495402.db2.gz YLNNGDHVMWEKIR-SFHVURJKSA-N 2 2 394.560 0.935 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)OCC1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118047894 1200495415 /nfs/dbraw/zinc/49/54/15/1200495415.db2.gz YLNNGDHVMWEKIR-SFHVURJKSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676297698 1200540190 /nfs/dbraw/zinc/54/01/90/1200540190.db2.gz RTVKGHAIZHIPIS-DOTOQJQBSA-N 2 2 397.564 0.631 20 0 GCADLP C[C@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676297698 1200540194 /nfs/dbraw/zinc/54/01/94/1200540194.db2.gz RTVKGHAIZHIPIS-DOTOQJQBSA-N 2 2 397.564 0.631 20 0 GCADLP C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@H]1C[NH+](C)CCO1 ZINC000676306159 1200541120 /nfs/dbraw/zinc/54/11/20/1200541120.db2.gz TYNCPAZZZZLUDO-IJXRJRJASA-N 2 2 390.528 0.888 20 0 GCADLP C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@H]1C[NH+](C)CCO1 ZINC000676306159 1200541131 /nfs/dbraw/zinc/54/11/31/1200541131.db2.gz TYNCPAZZZZLUDO-IJXRJRJASA-N 2 2 390.528 0.888 20 0 GCADLP C[C@H](NC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)[C@H]1C[N@H+](C)CCO1 ZINC000676306159 1200541138 /nfs/dbraw/zinc/54/11/38/1200541138.db2.gz TYNCPAZZZZLUDO-IJXRJRJASA-N 2 2 390.528 0.888 20 0 GCADLP C[C@H](NC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)[C@H]1C[N@@H+](C)CCO1 ZINC000676306159 1200541148 /nfs/dbraw/zinc/54/11/48/1200541148.db2.gz TYNCPAZZZZLUDO-IJXRJRJASA-N 2 2 390.528 0.888 20 0 GCADLP C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[NH+](C)CCO1 ZINC000676306157 1200541458 /nfs/dbraw/zinc/54/14/58/1200541458.db2.gz TYNCPAZZZZLUDO-FFGOWVMKSA-N 2 2 390.528 0.888 20 0 GCADLP C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[NH+](C)CCO1 ZINC000676306157 1200541461 /nfs/dbraw/zinc/54/14/61/1200541461.db2.gz TYNCPAZZZZLUDO-FFGOWVMKSA-N 2 2 390.528 0.888 20 0 GCADLP C[C@H](NC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[N@H+](C)CCO1 ZINC000676306157 1200541467 /nfs/dbraw/zinc/54/14/67/1200541467.db2.gz TYNCPAZZZZLUDO-FFGOWVMKSA-N 2 2 390.528 0.888 20 0 GCADLP C[C@H](NC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306157 1200541469 /nfs/dbraw/zinc/54/14/69/1200541469.db2.gz TYNCPAZZZZLUDO-FFGOWVMKSA-N 2 2 390.528 0.888 20 0 GCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271335 1200598715 /nfs/dbraw/zinc/59/87/15/1200598715.db2.gz BCVMIURXWISBJK-KONPQCLYSA-N 2 2 387.488 0.582 20 0 GCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271335 1200598718 /nfs/dbraw/zinc/59/87/18/1200598718.db2.gz BCVMIURXWISBJK-KONPQCLYSA-N 2 2 387.488 0.582 20 0 GCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000554473220 1200622567 /nfs/dbraw/zinc/62/25/67/1200622567.db2.gz QOWYZDSTGWAGCH-IAGOWNOFSA-N 2 2 376.505 1.306 20 0 GCADLP C[NH+](C)CC1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC1 ZINC000546838991 1200627199 /nfs/dbraw/zinc/62/71/99/1200627199.db2.gz RPLWDWMHADCXAM-UHFFFAOYSA-N 2 2 378.521 1.459 20 0 GCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329814505 1200649395 /nfs/dbraw/zinc/64/93/95/1200649395.db2.gz DTIIUPBODBLJRB-MRXNPFEDSA-N 2 2 378.521 1.409 20 0 GCADLP Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369276316 1200851990 /nfs/dbraw/zinc/85/19/90/1200851990.db2.gz GQZJCVMITIGYFC-CQSZACIVSA-N 2 2 395.529 0.939 20 0 GCADLP Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369276316 1200852001 /nfs/dbraw/zinc/85/20/01/1200852001.db2.gz GQZJCVMITIGYFC-CQSZACIVSA-N 2 2 395.529 0.939 20 0 GCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511901280 1200863999 /nfs/dbraw/zinc/86/39/99/1200863999.db2.gz HJUOXOKJIZYONL-AWEZNQCLSA-N 2 2 377.408 0.996 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000570664974 1200879088 /nfs/dbraw/zinc/87/90/88/1200879088.db2.gz SQPLKJLJRYKAJY-UHFFFAOYSA-N 2 2 386.456 1.341 20 0 GCADLP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC[N@@H+]1C ZINC001080877612 1201283347 /nfs/dbraw/zinc/28/33/47/1201283347.db2.gz FBUGRYMREIRHGL-KLHDSHLOSA-N 2 2 389.500 0.323 20 0 GCADLP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC[N@H+]1C ZINC001080877612 1201283354 /nfs/dbraw/zinc/28/33/54/1201283354.db2.gz FBUGRYMREIRHGL-KLHDSHLOSA-N 2 2 389.500 0.323 20 0 GCADLP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC[N@@H+]1C ZINC001080877612 1201283359 /nfs/dbraw/zinc/28/33/59/1201283359.db2.gz FBUGRYMREIRHGL-KLHDSHLOSA-N 2 2 389.500 0.323 20 0 GCADLP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC[N@H+]1C ZINC001080877612 1201283364 /nfs/dbraw/zinc/28/33/64/1201283364.db2.gz FBUGRYMREIRHGL-KLHDSHLOSA-N 2 2 389.500 0.323 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846965 1201305784 /nfs/dbraw/zinc/30/57/84/1201305784.db2.gz NVYSEWSXGXRLSZ-UTRMSSBJSA-N 2 2 376.501 0.733 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846965 1201305788 /nfs/dbraw/zinc/30/57/88/1201305788.db2.gz NVYSEWSXGXRLSZ-UTRMSSBJSA-N 2 2 376.501 0.733 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccc(C)nc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081846965 1201305794 /nfs/dbraw/zinc/30/57/94/1201305794.db2.gz NVYSEWSXGXRLSZ-UTRMSSBJSA-N 2 2 376.501 0.733 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccc(C)nc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081846965 1201305799 /nfs/dbraw/zinc/30/57/99/1201305799.db2.gz NVYSEWSXGXRLSZ-UTRMSSBJSA-N 2 2 376.501 0.733 20 0 GCADLP CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977711 1201314184 /nfs/dbraw/zinc/31/41/84/1201314184.db2.gz QLNNZVJFJDRGQU-AKHDSKFASA-N 2 2 383.533 0.728 20 0 GCADLP CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977711 1201314189 /nfs/dbraw/zinc/31/41/89/1201314189.db2.gz QLNNZVJFJDRGQU-AKHDSKFASA-N 2 2 383.533 0.728 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC001082590369 1201340482 /nfs/dbraw/zinc/34/04/82/1201340482.db2.gz SHDDSZIRCWKKEV-KLHDSHLOSA-N 2 2 378.521 0.689 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC001082590369 1201340485 /nfs/dbraw/zinc/34/04/85/1201340485.db2.gz SHDDSZIRCWKKEV-KLHDSHLOSA-N 2 2 378.521 0.689 20 0 GCADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001082657388 1201342978 /nfs/dbraw/zinc/34/29/78/1201342978.db2.gz WAHPRPPLANKAPM-AXUOBQJMSA-N 2 2 392.500 0.799 20 0 GCADLP C[C@H](CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)[NH+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663802 1201367789 /nfs/dbraw/zinc/36/77/89/1201367789.db2.gz XKSIHNDSUQGBLO-KURKYZTESA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1)[NH+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663802 1201367792 /nfs/dbraw/zinc/36/77/92/1201367792.db2.gz XKSIHNDSUQGBLO-KURKYZTESA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[NH+]1CCC[C@@H](N2CCNC2=O)C1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663802 1201367794 /nfs/dbraw/zinc/36/77/94/1201367794.db2.gz XKSIHNDSUQGBLO-KURKYZTESA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[NH+]1CCC[C@@H](N2CCNC2=O)C1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663802 1201367796 /nfs/dbraw/zinc/36/77/96/1201367796.db2.gz XKSIHNDSUQGBLO-KURKYZTESA-N 2 2 392.548 0.744 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000536071190 1201371006 /nfs/dbraw/zinc/37/10/06/1201371006.db2.gz PQEPGJZVBLIDMX-KRWDZBQOSA-N 2 2 376.420 0.931 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000536071190 1201371011 /nfs/dbraw/zinc/37/10/11/1201371011.db2.gz PQEPGJZVBLIDMX-KRWDZBQOSA-N 2 2 376.420 0.931 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCO[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC001083151127 1201392602 /nfs/dbraw/zinc/39/26/02/1201392602.db2.gz KAKZJWOLNUJXPV-YDZRNGNQSA-N 2 2 379.501 0.188 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC001083151127 1201392615 /nfs/dbraw/zinc/39/26/15/1201392615.db2.gz KAKZJWOLNUJXPV-YDZRNGNQSA-N 2 2 379.501 0.188 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCC4)C[C@H]32)O1 ZINC001084446928 1201414206 /nfs/dbraw/zinc/41/42/06/1201414206.db2.gz XMTKTQQMWTXFES-BRSBDYLESA-N 2 2 378.517 0.251 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCC4)C[C@H]32)O1 ZINC001084446928 1201414212 /nfs/dbraw/zinc/41/42/12/1201414212.db2.gz XMTKTQQMWTXFES-BRSBDYLESA-N 2 2 378.517 0.251 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCCC4)C[C@H]32)O1 ZINC001084446928 1201414214 /nfs/dbraw/zinc/41/42/14/1201414214.db2.gz XMTKTQQMWTXFES-BRSBDYLESA-N 2 2 378.517 0.251 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)O1 ZINC001084446928 1201414215 /nfs/dbraw/zinc/41/42/15/1201414215.db2.gz XMTKTQQMWTXFES-BRSBDYLESA-N 2 2 378.517 0.251 20 0 GCADLP CN(C(=O)/C=C\c1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729981196 1201422767 /nfs/dbraw/zinc/42/27/67/1201422767.db2.gz YWEVZIQMVSBYKM-WAYWQWQTSA-N 2 2 385.512 0.792 20 0 GCADLP C[NH+](C)CCNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732911558 1201569351 /nfs/dbraw/zinc/56/93/51/1201569351.db2.gz AORFKRUBKANBLY-OAHLLOKOSA-N 2 2 393.561 0.308 20 0 GCADLP C[NH+](C)CCNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732911558 1201569356 /nfs/dbraw/zinc/56/93/56/1201569356.db2.gz AORFKRUBKANBLY-OAHLLOKOSA-N 2 2 393.561 0.308 20 0 GCADLP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000823032810 1201588965 /nfs/dbraw/zinc/58/89/65/1201588965.db2.gz BWJTWQHCNVWNFP-JKSUJKDBSA-N 2 2 376.505 0.812 20 0 GCADLP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000823032810 1201588970 /nfs/dbraw/zinc/58/89/70/1201588970.db2.gz BWJTWQHCNVWNFP-JKSUJKDBSA-N 2 2 376.505 0.812 20 0 GCADLP C[NH+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065713467 1201631013 /nfs/dbraw/zinc/63/10/13/1201631013.db2.gz UESIHOAKRMPPEG-SGTQZHETSA-N 2 2 390.528 0.107 20 0 GCADLP C[NH+](C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065709300 1201631186 /nfs/dbraw/zinc/63/11/86/1201631186.db2.gz SESZCJASLUQGMW-UQZKUAJDSA-N 2 2 390.528 0.107 20 0 GCADLP C[NH+](C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001065714904 1201631388 /nfs/dbraw/zinc/63/13/88/1201631388.db2.gz BUUKFHSCFMWJIQ-TVFCKZIOSA-N 2 2 378.517 0.251 20 0 GCADLP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242970 1201647680 /nfs/dbraw/zinc/64/76/80/1201647680.db2.gz PFRXEDXXZPFQQT-KLHDSHLOSA-N 2 2 379.509 0.319 20 0 GCADLP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085242970 1201647681 /nfs/dbraw/zinc/64/76/81/1201647681.db2.gz PFRXEDXXZPFQQT-KLHDSHLOSA-N 2 2 379.509 0.319 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)O1 ZINC001085242966 1201648049 /nfs/dbraw/zinc/64/80/49/1201648049.db2.gz OYGQHPQLZIZEDN-DTZQCDIJSA-N 2 2 376.505 0.918 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)O1 ZINC001085242966 1201648050 /nfs/dbraw/zinc/64/80/50/1201648050.db2.gz OYGQHPQLZIZEDN-DTZQCDIJSA-N 2 2 376.505 0.918 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000734487680 1201653394 /nfs/dbraw/zinc/65/33/94/1201653394.db2.gz ULKNEBCCQXYGQX-ROUUACIJSA-N 2 2 395.548 0.387 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000734487680 1201653397 /nfs/dbraw/zinc/65/33/97/1201653397.db2.gz ULKNEBCCQXYGQX-ROUUACIJSA-N 2 2 395.548 0.387 20 0 GCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000827676413 1201706948 /nfs/dbraw/zinc/70/69/48/1201706948.db2.gz GZVZZAJODUJCGD-LJQANCHMSA-N 2 2 375.469 0.188 20 0 GCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000827676413 1201706950 /nfs/dbraw/zinc/70/69/50/1201706950.db2.gz GZVZZAJODUJCGD-LJQANCHMSA-N 2 2 375.469 0.188 20 0 GCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000827676413 1201706953 /nfs/dbraw/zinc/70/69/53/1201706953.db2.gz GZVZZAJODUJCGD-LJQANCHMSA-N 2 2 375.469 0.188 20 0 GCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000827676413 1201706956 /nfs/dbraw/zinc/70/69/56/1201706956.db2.gz GZVZZAJODUJCGD-LJQANCHMSA-N 2 2 375.469 0.188 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000741408106 1201778455 /nfs/dbraw/zinc/77/84/55/1201778455.db2.gz OPWCSMWJAWPHIE-FXAWDEMLSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000741408106 1201778457 /nfs/dbraw/zinc/77/84/57/1201778457.db2.gz OPWCSMWJAWPHIE-FXAWDEMLSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000741408106 1201778458 /nfs/dbraw/zinc/77/84/58/1201778458.db2.gz OPWCSMWJAWPHIE-FXAWDEMLSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000741408106 1201778459 /nfs/dbraw/zinc/77/84/59/1201778459.db2.gz OPWCSMWJAWPHIE-FXAWDEMLSA-N 2 2 376.501 0.643 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001006305240 1201869940 /nfs/dbraw/zinc/86/99/40/1201869940.db2.gz ZAPYVUKVAXWYRC-WCXIOVBPSA-N 2 2 378.517 0.297 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001006305240 1201869942 /nfs/dbraw/zinc/86/99/42/1201869942.db2.gz ZAPYVUKVAXWYRC-WCXIOVBPSA-N 2 2 378.517 0.297 20 0 GCADLP C[NH+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C3)C1 ZINC001006305240 1201869947 /nfs/dbraw/zinc/86/99/47/1201869947.db2.gz ZAPYVUKVAXWYRC-WCXIOVBPSA-N 2 2 378.517 0.297 20 0 GCADLP C[NH+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C3)C1 ZINC001006305240 1201869950 /nfs/dbraw/zinc/86/99/50/1201869950.db2.gz ZAPYVUKVAXWYRC-WCXIOVBPSA-N 2 2 378.517 0.297 20 0 GCADLP CN(C(=O)COC1(C)CCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000746161677 1201902557 /nfs/dbraw/zinc/90/25/57/1201902557.db2.gz GSFNIZPSUPCSSP-UHFFFAOYSA-N 2 2 380.533 0.642 20 0 GCADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3[nH]c2=NOCC[NH3+])C[NH2+]1 ZINC001156291616 1201941578 /nfs/dbraw/zinc/94/15/78/1201941578.db2.gz ISDWATGUOWMYSG-RISCZKNCSA-N 2 2 377.401 0.223 20 0 GCADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CO1 ZINC001169391562 1201945409 /nfs/dbraw/zinc/94/54/09/1201945409.db2.gz ZNWGCXKGIBARKT-CZUORRHYSA-N 2 2 394.472 0.435 20 0 GCADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CO1 ZINC001169391562 1201945412 /nfs/dbraw/zinc/94/54/12/1201945412.db2.gz ZNWGCXKGIBARKT-CZUORRHYSA-N 2 2 394.472 0.435 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001109113245 1201996612 /nfs/dbraw/zinc/99/66/12/1201996612.db2.gz GVWVGOBQBGKAIS-FXUDXRNXSA-N 2 2 381.521 0.136 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001109113245 1201996614 /nfs/dbraw/zinc/99/66/14/1201996614.db2.gz GVWVGOBQBGKAIS-FXUDXRNXSA-N 2 2 381.521 0.136 20 0 GCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001109113245 1201996615 /nfs/dbraw/zinc/99/66/15/1201996615.db2.gz GVWVGOBQBGKAIS-FXUDXRNXSA-N 2 2 381.521 0.136 20 0 GCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001109113245 1201996617 /nfs/dbraw/zinc/99/66/17/1201996617.db2.gz GVWVGOBQBGKAIS-FXUDXRNXSA-N 2 2 381.521 0.136 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109263937 1202012039 /nfs/dbraw/zinc/01/20/39/1202012039.db2.gz KCSCHPQETKUNHE-OWSLCNJRSA-N 2 2 380.533 0.733 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109263937 1202012042 /nfs/dbraw/zinc/01/20/42/1202012042.db2.gz KCSCHPQETKUNHE-OWSLCNJRSA-N 2 2 380.533 0.733 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109263937 1202012044 /nfs/dbraw/zinc/01/20/44/1202012044.db2.gz KCSCHPQETKUNHE-OWSLCNJRSA-N 2 2 380.533 0.733 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109263937 1202012047 /nfs/dbraw/zinc/01/20/47/1202012047.db2.gz KCSCHPQETKUNHE-OWSLCNJRSA-N 2 2 380.533 0.733 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293647 1202015184 /nfs/dbraw/zinc/01/51/84/1202015184.db2.gz FPDGNFAZWKKIEP-BDXSIMOUSA-N 2 2 378.517 0.202 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293647 1202015187 /nfs/dbraw/zinc/01/51/87/1202015187.db2.gz FPDGNFAZWKKIEP-BDXSIMOUSA-N 2 2 378.517 0.202 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNS(=O)(=O)CC)CC[N@@H+]1C ZINC001109307304 1202016513 /nfs/dbraw/zinc/01/65/13/1202016513.db2.gz DWSKVXMSUHTFPR-HMDCTGQHSA-N 2 2 386.562 0.378 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNS(=O)(=O)CC)CC[N@H+]1C ZINC001109307304 1202016516 /nfs/dbraw/zinc/01/65/16/1202016516.db2.gz DWSKVXMSUHTFPR-HMDCTGQHSA-N 2 2 386.562 0.378 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(=O)(=O)CC)CC[NH+]1C ZINC001109307304 1202016520 /nfs/dbraw/zinc/01/65/20/1202016520.db2.gz DWSKVXMSUHTFPR-HMDCTGQHSA-N 2 2 386.562 0.378 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(=O)(=O)CC)CC[NH+]1C ZINC001109307304 1202016521 /nfs/dbraw/zinc/01/65/21/1202016521.db2.gz DWSKVXMSUHTFPR-HMDCTGQHSA-N 2 2 386.562 0.378 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109304286 1202018717 /nfs/dbraw/zinc/01/87/17/1202018717.db2.gz SZWWYURHOYADQL-MTSZKFMLSA-N 2 2 393.532 0.530 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109304286 1202018719 /nfs/dbraw/zinc/01/87/19/1202018719.db2.gz SZWWYURHOYADQL-MTSZKFMLSA-N 2 2 393.532 0.530 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109304286 1202018720 /nfs/dbraw/zinc/01/87/20/1202018720.db2.gz SZWWYURHOYADQL-MTSZKFMLSA-N 2 2 393.532 0.530 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109304286 1202018722 /nfs/dbraw/zinc/01/87/22/1202018722.db2.gz SZWWYURHOYADQL-MTSZKFMLSA-N 2 2 393.532 0.530 20 0 GCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001109398150 1202037000 /nfs/dbraw/zinc/03/70/00/1202037000.db2.gz SIRWXWUZZAAQSM-VSZNYVQBSA-N 2 2 378.517 0.487 20 0 GCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001109398150 1202037005 /nfs/dbraw/zinc/03/70/05/1202037005.db2.gz SIRWXWUZZAAQSM-VSZNYVQBSA-N 2 2 378.517 0.487 20 0 GCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C2 ZINC001109398150 1202037007 /nfs/dbraw/zinc/03/70/07/1202037007.db2.gz SIRWXWUZZAAQSM-VSZNYVQBSA-N 2 2 378.517 0.487 20 0 GCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C2 ZINC001109398150 1202037009 /nfs/dbraw/zinc/03/70/09/1202037009.db2.gz SIRWXWUZZAAQSM-VSZNYVQBSA-N 2 2 378.517 0.487 20 0 GCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109417915 1202041240 /nfs/dbraw/zinc/04/12/40/1202041240.db2.gz RAXJJQQESQIFKO-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109417915 1202041243 /nfs/dbraw/zinc/04/12/43/1202041243.db2.gz RAXJJQQESQIFKO-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109417915 1202041248 /nfs/dbraw/zinc/04/12/48/1202041248.db2.gz RAXJJQQESQIFKO-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109417915 1202041250 /nfs/dbraw/zinc/04/12/50/1202041250.db2.gz RAXJJQQESQIFKO-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001109428238 1202047022 /nfs/dbraw/zinc/04/70/22/1202047022.db2.gz UYRFWCYBGHDTCZ-DFEOGRTESA-N 2 2 380.533 0.589 20 0 GCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001109428238 1202047024 /nfs/dbraw/zinc/04/70/24/1202047024.db2.gz UYRFWCYBGHDTCZ-DFEOGRTESA-N 2 2 380.533 0.589 20 0 GCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001109449078 1202051673 /nfs/dbraw/zinc/05/16/73/1202051673.db2.gz DCVFUCWEVFGVPE-IKGGRYGDSA-N 2 2 378.517 0.299 20 0 GCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001109449078 1202051676 /nfs/dbraw/zinc/05/16/76/1202051676.db2.gz DCVFUCWEVFGVPE-IKGGRYGDSA-N 2 2 378.517 0.299 20 0 GCADLP Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000769434664 1202056869 /nfs/dbraw/zinc/05/68/69/1202056869.db2.gz PCKZIOVJCKVNKC-GOSISDBHSA-N 2 2 385.516 0.908 20 0 GCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001109639145 1202094442 /nfs/dbraw/zinc/09/44/42/1202094442.db2.gz QHVJFGQWJYXAQW-QZWWFDLISA-N 2 2 380.533 0.732 20 0 GCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001109639145 1202094445 /nfs/dbraw/zinc/09/44/45/1202094445.db2.gz QHVJFGQWJYXAQW-QZWWFDLISA-N 2 2 380.533 0.732 20 0 GCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)C1 ZINC001109639145 1202094447 /nfs/dbraw/zinc/09/44/47/1202094447.db2.gz QHVJFGQWJYXAQW-QZWWFDLISA-N 2 2 380.533 0.732 20 0 GCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)C1 ZINC001109639145 1202094448 /nfs/dbraw/zinc/09/44/48/1202094448.db2.gz QHVJFGQWJYXAQW-QZWWFDLISA-N 2 2 380.533 0.732 20 0 GCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643588 1202096893 /nfs/dbraw/zinc/09/68/93/1202096893.db2.gz PDVKTBKHNCONHJ-QMHWVQJVSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643588 1202096897 /nfs/dbraw/zinc/09/68/97/1202096897.db2.gz PDVKTBKHNCONHJ-QMHWVQJVSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001109643588 1202096898 /nfs/dbraw/zinc/09/68/98/1202096898.db2.gz PDVKTBKHNCONHJ-QMHWVQJVSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109643588 1202096900 /nfs/dbraw/zinc/09/69/00/1202096900.db2.gz PDVKTBKHNCONHJ-QMHWVQJVSA-N 2 2 379.505 0.284 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001109650007 1202098182 /nfs/dbraw/zinc/09/81/82/1202098182.db2.gz NRUSOZORZFKRKB-QZWWFDLISA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001109650007 1202098183 /nfs/dbraw/zinc/09/81/83/1202098183.db2.gz NRUSOZORZFKRKB-QZWWFDLISA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@H]2CCCO2)CC1 ZINC001109671376 1202103017 /nfs/dbraw/zinc/10/30/17/1202103017.db2.gz FLZGJQCMZJUCHB-BDXSIMOUSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@H]2CCCO2)CC1 ZINC001109671376 1202103019 /nfs/dbraw/zinc/10/30/19/1202103019.db2.gz FLZGJQCMZJUCHB-BDXSIMOUSA-N 2 2 378.517 0.345 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724594 1202110271 /nfs/dbraw/zinc/11/02/71/1202110271.db2.gz ZWVPTDSTFRQRJD-IKGGRYGDSA-N 2 2 382.549 0.839 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724594 1202110273 /nfs/dbraw/zinc/11/02/73/1202110273.db2.gz ZWVPTDSTFRQRJD-IKGGRYGDSA-N 2 2 382.549 0.839 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724594 1202110275 /nfs/dbraw/zinc/11/02/75/1202110275.db2.gz ZWVPTDSTFRQRJD-IKGGRYGDSA-N 2 2 382.549 0.839 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724594 1202110276 /nfs/dbraw/zinc/11/02/76/1202110276.db2.gz ZWVPTDSTFRQRJD-IKGGRYGDSA-N 2 2 382.549 0.839 20 0 GCADLP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)[C@@H](c2ccccc2)C1 ZINC001109739612 1202115674 /nfs/dbraw/zinc/11/56/74/1202115674.db2.gz ANJGNSMEPUWXJO-ZBRFXRBCSA-N 2 2 399.495 0.248 20 0 GCADLP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)[C@@H](c2ccccc2)C1 ZINC001109739612 1202115678 /nfs/dbraw/zinc/11/56/78/1202115678.db2.gz ANJGNSMEPUWXJO-ZBRFXRBCSA-N 2 2 399.495 0.248 20 0 GCADLP C[NH+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)[C@@H](c2ccccc2)C1 ZINC001109739612 1202115680 /nfs/dbraw/zinc/11/56/80/1202115680.db2.gz ANJGNSMEPUWXJO-ZBRFXRBCSA-N 2 2 399.495 0.248 20 0 GCADLP C[NH+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)[C@@H](c2ccccc2)C1 ZINC001109739612 1202115681 /nfs/dbraw/zinc/11/56/81/1202115681.db2.gz ANJGNSMEPUWXJO-ZBRFXRBCSA-N 2 2 399.495 0.248 20 0 GCADLP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109772589 1202120837 /nfs/dbraw/zinc/12/08/37/1202120837.db2.gz OSZBTACVHHTSNC-BGTYHANMSA-N 2 2 377.489 0.708 20 0 GCADLP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109772589 1202120838 /nfs/dbraw/zinc/12/08/38/1202120838.db2.gz OSZBTACVHHTSNC-BGTYHANMSA-N 2 2 377.489 0.708 20 0 GCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843081 1202133727 /nfs/dbraw/zinc/13/37/27/1202133727.db2.gz BIXJUVDJAZGLAY-SQNIBIBYSA-N 2 2 380.533 0.689 20 0 GCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843081 1202133729 /nfs/dbraw/zinc/13/37/29/1202133729.db2.gz BIXJUVDJAZGLAY-SQNIBIBYSA-N 2 2 380.533 0.689 20 0 GCADLP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771766100 1202161855 /nfs/dbraw/zinc/16/18/55/1202161855.db2.gz QIZGTJPNXMXJRI-GBESFXJTSA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771766100 1202161857 /nfs/dbraw/zinc/16/18/57/1202161857.db2.gz QIZGTJPNXMXJRI-GBESFXJTSA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000771766100 1202161860 /nfs/dbraw/zinc/16/18/60/1202161860.db2.gz QIZGTJPNXMXJRI-GBESFXJTSA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000771766100 1202161862 /nfs/dbraw/zinc/16/18/62/1202161862.db2.gz QIZGTJPNXMXJRI-GBESFXJTSA-N 3 2 379.549 0.660 20 0 GCADLP COc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)c(C)n1 ZINC001109977698 1202165123 /nfs/dbraw/zinc/16/51/23/1202165123.db2.gz VXUOBKZWVCGLNM-IKGGRYGDSA-N 2 2 377.489 0.593 20 0 GCADLP COc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)c(C)n1 ZINC001109977698 1202165127 /nfs/dbraw/zinc/16/51/27/1202165127.db2.gz VXUOBKZWVCGLNM-IKGGRYGDSA-N 2 2 377.489 0.593 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981659 1202166518 /nfs/dbraw/zinc/16/65/18/1202166518.db2.gz XQMNLXNAEALELM-XGUBFFRZSA-N 2 2 377.489 0.038 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981659 1202166522 /nfs/dbraw/zinc/16/65/22/1202166522.db2.gz XQMNLXNAEALELM-XGUBFFRZSA-N 2 2 377.489 0.038 20 0 GCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001110014677 1202175382 /nfs/dbraw/zinc/17/53/82/1202175382.db2.gz CZJQLVXKNPZOQY-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001110014677 1202175384 /nfs/dbraw/zinc/17/53/84/1202175384.db2.gz CZJQLVXKNPZOQY-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110014677 1202175385 /nfs/dbraw/zinc/17/53/85/1202175385.db2.gz CZJQLVXKNPZOQY-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110014677 1202175388 /nfs/dbraw/zinc/17/53/88/1202175388.db2.gz CZJQLVXKNPZOQY-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP C[C@@H](Cc1ccco1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787945372 1205409443 /nfs/dbraw/zinc/40/94/43/1205409443.db2.gz ZTBYJMYPAJJWGR-RDJZCZTQSA-N 2 2 376.501 0.954 20 0 GCADLP C[C@@H](Cc1ccco1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787945372 1205409444 /nfs/dbraw/zinc/40/94/44/1205409444.db2.gz ZTBYJMYPAJJWGR-RDJZCZTQSA-N 2 2 376.501 0.954 20 0 GCADLP C[NH+](C)CCOCCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000788013946 1205411773 /nfs/dbraw/zinc/41/17/73/1205411773.db2.gz OIQJVJSIGKMMNY-OAHLLOKOSA-N 2 2 387.525 0.415 20 0 GCADLP C[NH+](C)CCOCCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000788013946 1205411774 /nfs/dbraw/zinc/41/17/74/1205411774.db2.gz OIQJVJSIGKMMNY-OAHLLOKOSA-N 2 2 387.525 0.415 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[NH+]1CCCCC1 ZINC000793699101 1205504394 /nfs/dbraw/zinc/50/43/94/1205504394.db2.gz LTCCEUUFRRYBLW-QGZVFWFLSA-N 3 2 393.576 0.652 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000793729578 1205505261 /nfs/dbraw/zinc/50/52/61/1205505261.db2.gz XXYUNZGNGCFPBZ-JKSUJKDBSA-N 2 2 382.505 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000793729578 1205505262 /nfs/dbraw/zinc/50/52/62/1205505262.db2.gz XXYUNZGNGCFPBZ-JKSUJKDBSA-N 2 2 382.505 0.073 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000793729577 1205505404 /nfs/dbraw/zinc/50/54/04/1205505404.db2.gz XXYUNZGNGCFPBZ-HZPDHXFCSA-N 2 2 382.505 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000793729577 1205505406 /nfs/dbraw/zinc/50/54/06/1205505406.db2.gz XXYUNZGNGCFPBZ-HZPDHXFCSA-N 2 2 382.505 0.073 20 0 GCADLP CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101723 1205511640 /nfs/dbraw/zinc/51/16/40/1205511640.db2.gz BWFTZLGCFMFJQL-BDXSIMOUSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101723 1205511642 /nfs/dbraw/zinc/51/16/42/1205511642.db2.gz BWFTZLGCFMFJQL-BDXSIMOUSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)OCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101723 1205511644 /nfs/dbraw/zinc/51/16/44/1205511644.db2.gz BWFTZLGCFMFJQL-BDXSIMOUSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)OCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101723 1205511647 /nfs/dbraw/zinc/51/16/47/1205511647.db2.gz BWFTZLGCFMFJQL-BDXSIMOUSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101788 1205512088 /nfs/dbraw/zinc/51/20/88/1205512088.db2.gz FTDAATSILIHSAX-FZKCQIBNSA-N 2 2 379.505 0.141 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101788 1205512090 /nfs/dbraw/zinc/51/20/90/1205512090.db2.gz FTDAATSILIHSAX-FZKCQIBNSA-N 2 2 379.505 0.141 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101788 1205512092 /nfs/dbraw/zinc/51/20/92/1205512092.db2.gz FTDAATSILIHSAX-FZKCQIBNSA-N 2 2 379.505 0.141 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101788 1205512094 /nfs/dbraw/zinc/51/20/94/1205512094.db2.gz FTDAATSILIHSAX-FZKCQIBNSA-N 2 2 379.505 0.141 20 0 GCADLP CC[NH+]1CCN(C(=O)COCCOCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000804379707 1205514997 /nfs/dbraw/zinc/51/49/97/1205514997.db2.gz OWTIGAWPITVZHQ-HDICACEKSA-N 2 2 398.548 0.125 20 0 GCADLP CC[NH+]1CCN(C(=O)COCCOCC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000804379707 1205515000 /nfs/dbraw/zinc/51/50/00/1205515000.db2.gz OWTIGAWPITVZHQ-HDICACEKSA-N 2 2 398.548 0.125 20 0 GCADLP CC[NH+]1CCN(C(=O)COCCOCC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000804379707 1205515004 /nfs/dbraw/zinc/51/50/04/1205515004.db2.gz OWTIGAWPITVZHQ-HDICACEKSA-N 2 2 398.548 0.125 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4c(F)cccc4C3)C2)CC1 ZINC000806209673 1205551672 /nfs/dbraw/zinc/55/16/72/1205551672.db2.gz COPASRNHGJKUHN-INIZCTEOSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4c(F)cccc4C3)C2)CC1 ZINC000806209673 1205551673 /nfs/dbraw/zinc/55/16/73/1205551673.db2.gz COPASRNHGJKUHN-INIZCTEOSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806210527 1205551677 /nfs/dbraw/zinc/55/16/77/1205551677.db2.gz SLHUPVOBVFSGQP-RYRKJORJSA-N 3 2 379.549 0.260 20 0 GCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806210527 1205551678 /nfs/dbraw/zinc/55/16/78/1205551678.db2.gz SLHUPVOBVFSGQP-RYRKJORJSA-N 3 2 379.549 0.260 20 0 GCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806210529 1205551761 /nfs/dbraw/zinc/55/17/61/1205551761.db2.gz SLHUPVOBVFSGQP-XYJFISCASA-N 3 2 379.549 0.260 20 0 GCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806210529 1205551763 /nfs/dbraw/zinc/55/17/63/1205551763.db2.gz SLHUPVOBVFSGQP-XYJFISCASA-N 3 2 379.549 0.260 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC1(C)OCCO1 ZINC000806210746 1205551903 /nfs/dbraw/zinc/55/19/03/1205551903.db2.gz ZBQNIRFMXLDSEO-HZPDHXFCSA-N 2 2 396.532 0.177 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC1(C)OCCO1 ZINC000806210746 1205551904 /nfs/dbraw/zinc/55/19/04/1205551904.db2.gz ZBQNIRFMXLDSEO-HZPDHXFCSA-N 2 2 396.532 0.177 20 0 GCADLP Cc1ncc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000807934121 1205594787 /nfs/dbraw/zinc/59/47/87/1205594787.db2.gz HBYHVRFXPDOWLJ-INIZCTEOSA-N 2 2 393.557 0.737 20 0 GCADLP Cc1ncc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000807934121 1205594788 /nfs/dbraw/zinc/59/47/88/1205594788.db2.gz HBYHVRFXPDOWLJ-INIZCTEOSA-N 2 2 393.557 0.737 20 0 GCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103084 1205598665 /nfs/dbraw/zinc/59/86/65/1205598665.db2.gz CRMUMEUGLMQKQZ-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103084 1205598667 /nfs/dbraw/zinc/59/86/67/1205598667.db2.gz CRMUMEUGLMQKQZ-BDXSIMOUSA-N 2 2 380.533 0.735 20 0 GCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](CO)[C@@H](O)C3)cc2)CC1 ZINC000808751906 1205611169 /nfs/dbraw/zinc/61/11/69/1205611169.db2.gz ORURXABAQBZVHU-APWZRJJASA-N 2 2 376.501 0.442 20 0 GCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@H](CO)[C@@H](O)C3)cc2)CC1 ZINC000808751906 1205611171 /nfs/dbraw/zinc/61/11/71/1205611171.db2.gz ORURXABAQBZVHU-APWZRJJASA-N 2 2 376.501 0.442 20 0 GCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809942701 1205631816 /nfs/dbraw/zinc/63/18/16/1205631816.db2.gz MUAXWSYKLLBIRH-IBGZPJMESA-N 2 2 386.537 0.748 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000810269304 1205635138 /nfs/dbraw/zinc/63/51/38/1205635138.db2.gz DWADIPKAICCFTI-IXDOHACOSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000810269304 1205635139 /nfs/dbraw/zinc/63/51/39/1205635139.db2.gz DWADIPKAICCFTI-IXDOHACOSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000810269304 1205635140 /nfs/dbraw/zinc/63/51/40/1205635140.db2.gz DWADIPKAICCFTI-IXDOHACOSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000810269304 1205635141 /nfs/dbraw/zinc/63/51/41/1205635141.db2.gz DWADIPKAICCFTI-IXDOHACOSA-N 2 2 377.489 0.463 20 0 GCADLP CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000805473162 1205670994 /nfs/dbraw/zinc/67/09/94/1205670994.db2.gz RXIABBFLGJLKSL-KRWDZBQOSA-N 2 2 397.516 0.402 20 0 GCADLP CC[N@H+]1CCO[C@H](C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000805473162 1205670996 /nfs/dbraw/zinc/67/09/96/1205670996.db2.gz RXIABBFLGJLKSL-KRWDZBQOSA-N 2 2 397.516 0.402 20 0 GCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103410 1205676824 /nfs/dbraw/zinc/67/68/24/1205676824.db2.gz SODIKHJAQWBMPZ-UKMLZYKCSA-N 2 2 377.489 0.180 20 0 GCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103410 1205676825 /nfs/dbraw/zinc/67/68/25/1205676825.db2.gz SODIKHJAQWBMPZ-UKMLZYKCSA-N 2 2 377.489 0.180 20 0 GCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171630121 1205708473 /nfs/dbraw/zinc/70/84/73/1205708473.db2.gz JVFAHIBTRWIOPA-IHRRRGAJSA-N 2 2 398.548 0.798 20 0 GCADLP CCN1CC[C@H]([N@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CC1=O ZINC001172045245 1205712498 /nfs/dbraw/zinc/71/24/98/1205712498.db2.gz WNWCHBSNICJIJI-HNNXBMFYSA-N 2 2 399.499 0.416 20 0 GCADLP CCN1CC[C@H]([N@@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CC1=O ZINC001172045245 1205712499 /nfs/dbraw/zinc/71/24/99/1205712499.db2.gz WNWCHBSNICJIJI-HNNXBMFYSA-N 2 2 399.499 0.416 20 0 GCADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C1CC[NH+](CCCOC)CC1)CC2 ZINC001172250131 1205714814 /nfs/dbraw/zinc/71/48/14/1205714814.db2.gz AQUOEBJUFPGDEB-SFHVURJKSA-N 2 2 383.533 0.873 20 0 GCADLP CC[C@H](C)OCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172352816 1205715678 /nfs/dbraw/zinc/71/56/78/1205715678.db2.gz UCEXBYHQYDXKHS-OHFALNGGSA-N 2 2 379.505 0.995 20 0 GCADLP CC(C)OC(=O)CC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172750527 1205717188 /nfs/dbraw/zinc/71/71/88/1205717188.db2.gz HOLJLSDQKVYIGM-BPUTZDHNSA-N 2 2 393.488 0.522 20 0 GCADLP COC(=O)[C@H]1C[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173506088 1205721994 /nfs/dbraw/zinc/72/19/94/1205721994.db2.gz HJOJSCIYMJEECQ-QZTJIDSGSA-N 2 2 389.496 0.879 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+]([C@H]2CCC[C@@H](n4ncnn4)C2)CC3)CC1 ZINC001173753871 1205727758 /nfs/dbraw/zinc/72/77/58/1205727758.db2.gz PPTVOIBBPHUHQY-ZWKOTPCHSA-N 2 2 385.520 0.617 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+]([C@H]2CCC[C@@H](n4ncnn4)C2)CC3)CC1 ZINC001173753871 1205727759 /nfs/dbraw/zinc/72/77/59/1205727759.db2.gz PPTVOIBBPHUHQY-ZWKOTPCHSA-N 2 2 385.520 0.617 20 0 GCADLP C[N@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc2n(n1)CCC[NH+](C)C2 ZINC001175104529 1205734767 /nfs/dbraw/zinc/73/47/67/1205734767.db2.gz IQKXXMIVWAVOEM-UHFFFAOYSA-N 2 2 394.520 0.905 20 0 GCADLP C[N@@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc2n(n1)CCC[NH+](C)C2 ZINC001175104529 1205734768 /nfs/dbraw/zinc/73/47/68/1205734768.db2.gz IQKXXMIVWAVOEM-UHFFFAOYSA-N 2 2 394.520 0.905 20 0 GCADLP C[NH+](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175104529 1205734770 /nfs/dbraw/zinc/73/47/70/1205734770.db2.gz IQKXXMIVWAVOEM-UHFFFAOYSA-N 2 2 394.520 0.905 20 0 GCADLP C[NH+](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175104529 1205734771 /nfs/dbraw/zinc/73/47/71/1205734771.db2.gz IQKXXMIVWAVOEM-UHFFFAOYSA-N 2 2 394.520 0.905 20 0 GCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188461 1205740018 /nfs/dbraw/zinc/74/00/18/1205740018.db2.gz ADOFJGRZRVOVDH-PMPSAXMXSA-N 2 2 379.505 0.430 20 0 GCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188461 1205740020 /nfs/dbraw/zinc/74/00/20/1205740020.db2.gz ADOFJGRZRVOVDH-PMPSAXMXSA-N 2 2 379.505 0.430 20 0 GCADLP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(C)=O)CC2)c1 ZINC001176385515 1205746845 /nfs/dbraw/zinc/74/68/45/1205746845.db2.gz QZUCBYPPMBDPSE-GOSISDBHSA-N 2 2 385.468 0.942 20 0 GCADLP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(C)=O)CC2)c1 ZINC001176385515 1205746847 /nfs/dbraw/zinc/74/68/47/1205746847.db2.gz QZUCBYPPMBDPSE-GOSISDBHSA-N 2 2 385.468 0.942 20 0 GCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2c[nH+]c[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001176836373 1205756037 /nfs/dbraw/zinc/75/60/37/1205756037.db2.gz HETQCCPSAOCPGR-ADBDHWBDSA-N 3 2 397.520 0.248 20 0 GCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001177085098 1205761450 /nfs/dbraw/zinc/76/14/50/1205761450.db2.gz SOWYMCQWTLBASJ-CQSZACIVSA-N 2 2 387.444 0.641 20 0 GCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001177085098 1205761452 /nfs/dbraw/zinc/76/14/52/1205761452.db2.gz SOWYMCQWTLBASJ-CQSZACIVSA-N 2 2 387.444 0.641 20 0 GCADLP Cn1cccc1CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001177317842 1205766373 /nfs/dbraw/zinc/76/63/73/1205766373.db2.gz SZGDCPVPEITYLS-UHFFFAOYSA-N 2 2 375.517 0.264 20 0 GCADLP Cn1cccc1CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001177317842 1205766375 /nfs/dbraw/zinc/76/63/75/1205766375.db2.gz SZGDCPVPEITYLS-UHFFFAOYSA-N 2 2 375.517 0.264 20 0 GCADLP Cc1cccnc1CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001177457718 1205769921 /nfs/dbraw/zinc/76/99/21/1205769921.db2.gz XBACEIXBJJRFSJ-UHFFFAOYSA-N 2 2 387.528 0.629 20 0 GCADLP Cc1cccnc1CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001177457718 1205769922 /nfs/dbraw/zinc/76/99/22/1205769922.db2.gz XBACEIXBJJRFSJ-UHFFFAOYSA-N 2 2 387.528 0.629 20 0 GCADLP C[C@H](C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1)n1cc[nH+]c1 ZINC001177923290 1205779315 /nfs/dbraw/zinc/77/93/15/1205779315.db2.gz XIUIAWJFSNCYDG-WBVHZDCISA-N 2 2 387.488 0.811 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCc3cnoc3)CC2)C1=O ZINC001178402847 1205786450 /nfs/dbraw/zinc/78/64/50/1205786450.db2.gz HTTYUPCVSXECAD-UHFFFAOYSA-N 2 2 377.489 0.304 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCc3cnoc3)CC2)C1=O ZINC001178402847 1205786451 /nfs/dbraw/zinc/78/64/51/1205786451.db2.gz HTTYUPCVSXECAD-UHFFFAOYSA-N 2 2 377.489 0.304 20 0 GCADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CC1 ZINC001179150120 1205803842 /nfs/dbraw/zinc/80/38/42/1205803842.db2.gz JUJGFKODDJNUIB-MRXNPFEDSA-N 2 2 396.532 0.861 20 0 GCADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CC1 ZINC001179150120 1205803843 /nfs/dbraw/zinc/80/38/43/1205803843.db2.gz JUJGFKODDJNUIB-MRXNPFEDSA-N 2 2 396.532 0.861 20 0 GCADLP C[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)[NH+]1CCCC1 ZINC001180579542 1205826354 /nfs/dbraw/zinc/82/63/54/1205826354.db2.gz MTTWZZUEQAYPFR-QGZVFWFLSA-N 3 2 379.549 0.168 20 0 GCADLP C[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)[NH+]1CCCC1 ZINC001180579542 1205826355 /nfs/dbraw/zinc/82/63/55/1205826355.db2.gz MTTWZZUEQAYPFR-QGZVFWFLSA-N 3 2 379.549 0.168 20 0 GCADLP NC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC001180609209 1205828363 /nfs/dbraw/zinc/82/83/63/1205828363.db2.gz RBVXOTXKZVOPPL-UHFFFAOYSA-N 2 2 388.512 0.797 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 ZINC001180759636 1205831409 /nfs/dbraw/zinc/83/14/09/1205831409.db2.gz PNWIWVDTYIZTEM-SJORKVTESA-N 2 2 396.532 0.907 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 ZINC001180759636 1205831411 /nfs/dbraw/zinc/83/14/11/1205831411.db2.gz PNWIWVDTYIZTEM-SJORKVTESA-N 2 2 396.532 0.907 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C12CC[NH+](CC1)CC2 ZINC001181546810 1205846077 /nfs/dbraw/zinc/84/60/77/1205846077.db2.gz JDXJBQCCDFILIU-APWZRJJASA-N 2 2 379.501 0.727 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3CC4(COC4)C3)CC2)C1=O ZINC001181612878 1205848006 /nfs/dbraw/zinc/84/80/06/1205848006.db2.gz BCIJTQXXEYPOIH-UHFFFAOYSA-N 2 2 378.517 0.110 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3CC4(COC4)C3)CC2)C1=O ZINC001181612878 1205848008 /nfs/dbraw/zinc/84/80/08/1205848008.db2.gz BCIJTQXXEYPOIH-UHFFFAOYSA-N 2 2 378.517 0.110 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181975287 1205853423 /nfs/dbraw/zinc/85/34/23/1205853423.db2.gz CEUMMXVVWUWCLZ-ZWOKBUDYSA-N 2 2 381.517 0.972 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[N@H+](C(C)C)C1 ZINC001181975287 1205853425 /nfs/dbraw/zinc/85/34/25/1205853425.db2.gz CEUMMXVVWUWCLZ-ZWOKBUDYSA-N 2 2 381.517 0.972 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182013013 1205854461 /nfs/dbraw/zinc/85/44/61/1205854461.db2.gz XPHCKCWGTGIQLN-HLIPFELVSA-N 2 2 379.501 0.583 20 0 GCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001182015627 1205854672 /nfs/dbraw/zinc/85/46/72/1205854672.db2.gz YPVXFENNNSFNAE-KRWDZBQOSA-N 2 2 382.468 0.562 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)[C@H]2NCN[C@@H]21 ZINC001182244989 1205861164 /nfs/dbraw/zinc/86/11/64/1205861164.db2.gz RMHGWRLKBQRVCP-XMTFNYHQSA-N 2 2 392.935 0.776 20 0 GCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001183919966 1205902812 /nfs/dbraw/zinc/90/28/12/1205902812.db2.gz ROWOJERMRNIZMI-SUMWQHHRSA-N 2 2 398.577 0.404 20 0 GCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001183919966 1205902814 /nfs/dbraw/zinc/90/28/14/1205902814.db2.gz ROWOJERMRNIZMI-SUMWQHHRSA-N 2 2 398.577 0.404 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[C@H]2NCN[C@@H]21 ZINC001184404857 1205908942 /nfs/dbraw/zinc/90/89/42/1205908942.db2.gz MTGMWFUZSDFCPQ-MWQQHZPXSA-N 2 2 378.908 0.071 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[C@H]2NCN[C@@H]21 ZINC001184404857 1205908944 /nfs/dbraw/zinc/90/89/44/1205908944.db2.gz MTGMWFUZSDFCPQ-MWQQHZPXSA-N 2 2 378.908 0.071 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC2(CC1)C(=O)NCC[NH+]2Cc1ccccc1 ZINC001185250427 1205918899 /nfs/dbraw/zinc/91/88/99/1205918899.db2.gz GGIPDYDPQLKNEV-IBGZPJMESA-N 2 2 399.539 0.225 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(CC1)C(=O)NCC[NH+]2Cc1ccccc1 ZINC001185250427 1205918900 /nfs/dbraw/zinc/91/89/00/1205918900.db2.gz GGIPDYDPQLKNEV-IBGZPJMESA-N 2 2 399.539 0.225 20 0 GCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001185250427 1205918902 /nfs/dbraw/zinc/91/89/02/1205918902.db2.gz GGIPDYDPQLKNEV-IBGZPJMESA-N 2 2 399.539 0.225 20 0 GCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001185250427 1205918903 /nfs/dbraw/zinc/91/89/03/1205918903.db2.gz GGIPDYDPQLKNEV-IBGZPJMESA-N 2 2 399.539 0.225 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNC(=O)C(F)(F)F ZINC001110385917 1205952065 /nfs/dbraw/zinc/95/20/65/1205952065.db2.gz AVTOQAZSALMTPZ-YIYPIFLZSA-N 2 2 376.423 0.871 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNC(=O)C(F)(F)F ZINC001110385917 1205952068 /nfs/dbraw/zinc/95/20/68/1205952068.db2.gz AVTOQAZSALMTPZ-YIYPIFLZSA-N 2 2 376.423 0.871 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001110385917 1205952070 /nfs/dbraw/zinc/95/20/70/1205952070.db2.gz AVTOQAZSALMTPZ-YIYPIFLZSA-N 2 2 376.423 0.871 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNC(=O)C(F)(F)F ZINC001110385917 1205952071 /nfs/dbraw/zinc/95/20/71/1205952071.db2.gz AVTOQAZSALMTPZ-YIYPIFLZSA-N 2 2 376.423 0.871 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccn(C(F)F)n3)CC2)C1=O ZINC001189445248 1206007188 /nfs/dbraw/zinc/00/71/88/1206007188.db2.gz CDNIFFZMMFSASW-UHFFFAOYSA-N 2 2 398.458 0.589 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccn(C(F)F)n3)CC2)C1=O ZINC001189445248 1206007193 /nfs/dbraw/zinc/00/71/93/1206007193.db2.gz CDNIFFZMMFSASW-UHFFFAOYSA-N 2 2 398.458 0.589 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417035 1206014801 /nfs/dbraw/zinc/01/48/01/1206014801.db2.gz GVWVGOBQBGKAIS-WCVJEAGWSA-N 2 2 381.521 0.136 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417035 1206014805 /nfs/dbraw/zinc/01/48/05/1206014805.db2.gz GVWVGOBQBGKAIS-WCVJEAGWSA-N 2 2 381.521 0.136 20 0 GCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417035 1206014807 /nfs/dbraw/zinc/01/48/07/1206014807.db2.gz GVWVGOBQBGKAIS-WCVJEAGWSA-N 2 2 381.521 0.136 20 0 GCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417035 1206014812 /nfs/dbraw/zinc/01/48/12/1206014812.db2.gz GVWVGOBQBGKAIS-WCVJEAGWSA-N 2 2 381.521 0.136 20 0 GCADLP C[NH+]1CCN(C2CC[NH+](C3CCN(S(=O)(=O)c4ncc[nH]4)CC3)CC2)CC1 ZINC001190716653 1206043593 /nfs/dbraw/zinc/04/35/93/1206043593.db2.gz VUEFIBJKWHKHSB-UHFFFAOYSA-N 2 2 396.561 0.275 20 0 GCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001164633151 719160625 /nfs/dbraw/zinc/16/06/25/719160625.db2.gz GUFTTWLYNJYDIR-LSDHHAIUSA-N 2 2 377.493 0.074 20 0 GCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001164633151 719160628 /nfs/dbraw/zinc/16/06/28/719160628.db2.gz GUFTTWLYNJYDIR-LSDHHAIUSA-N 2 2 377.493 0.074 20 0 GCADLP C[NH+]1CCN(c2cccc(N3CCn4c(CN5CCOCC5)nnc4C3)[nH+]2)CC1 ZINC001164678010 719582211 /nfs/dbraw/zinc/58/22/11/719582211.db2.gz FWYMZKICKZLMJH-UHFFFAOYSA-N 2 2 398.515 0.277 20 0 GCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(C2C[NH2+]C2)n1 ZINC001164702817 719880391 /nfs/dbraw/zinc/88/03/91/719880391.db2.gz QZIKJPDKBNKOHX-OXQOHEQNSA-N 2 2 389.500 0.705 20 0 GCADLP CN(C)c1cccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)[nH+]1 ZINC001164703228 719935929 /nfs/dbraw/zinc/93/59/29/719935929.db2.gz JLRSECFZCVPJHB-UHFFFAOYSA-N 2 2 383.500 0.831 20 0 GCADLP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164744167 720724971 /nfs/dbraw/zinc/72/49/71/720724971.db2.gz RIWQEJRLBPBHJQ-HOTGVXAUSA-N 2 2 383.456 0.445 20 0 GCADLP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164744167 720724976 /nfs/dbraw/zinc/72/49/76/720724976.db2.gz RIWQEJRLBPBHJQ-HOTGVXAUSA-N 2 2 383.456 0.445 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc[nH+]c(N4CCOCC4)n2)CC3)CC1 ZINC001164797278 721515846 /nfs/dbraw/zinc/51/58/46/721515846.db2.gz JKWCCXVYZLUNNY-UHFFFAOYSA-N 2 2 398.515 0.277 20 0 GCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001165011011 721697798 /nfs/dbraw/zinc/69/77/98/721697798.db2.gz YQYIQIYXFQFTCT-UHFFFAOYSA-N 2 2 385.520 0.728 20 0 GCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001165011011 721697813 /nfs/dbraw/zinc/69/78/13/721697813.db2.gz YQYIQIYXFQFTCT-UHFFFAOYSA-N 2 2 385.520 0.728 20 0 GCADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ncnc5c4CC[NH2+]C5)CCO3)C2)c1 ZINC001164912798 721774043 /nfs/dbraw/zinc/77/40/43/721774043.db2.gz PZMDHTOTPUBKMM-OAQYLSRUSA-N 2 2 396.495 0.625 20 0 GCADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ncnc5c4CC[NH2+]C5)CCO3)C2)c1 ZINC001164912798 721774047 /nfs/dbraw/zinc/77/40/47/721774047.db2.gz PZMDHTOTPUBKMM-OAQYLSRUSA-N 2 2 396.495 0.625 20 0 GCADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ncnc5c4CC[NH2+]C5)CCO3)C2)c1 ZINC001164912792 721774076 /nfs/dbraw/zinc/77/40/76/721774076.db2.gz PZMDHTOTPUBKMM-NRFANRHFSA-N 2 2 396.495 0.625 20 0 GCADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ncnc5c4CC[NH2+]C5)CCO3)C2)c1 ZINC001164912792 721774079 /nfs/dbraw/zinc/77/40/79/721774079.db2.gz PZMDHTOTPUBKMM-NRFANRHFSA-N 2 2 396.495 0.625 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001571263803 945467432 /nfs/dbraw/zinc/46/74/32/945467432.db2.gz BIELABMGGNBPRB-GOEBONIOSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001571263803 945467439 /nfs/dbraw/zinc/46/74/39/945467439.db2.gz BIELABMGGNBPRB-GOEBONIOSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571263803 945467448 /nfs/dbraw/zinc/46/74/48/945467448.db2.gz BIELABMGGNBPRB-GOEBONIOSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571263803 945467451 /nfs/dbraw/zinc/46/74/51/945467451.db2.gz BIELABMGGNBPRB-GOEBONIOSA-N 2 2 385.472 0.518 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001571264480 945485803 /nfs/dbraw/zinc/48/58/03/945485803.db2.gz PJVKCCOGMDOLLQ-BRWVUGGUSA-N 2 2 385.472 0.276 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001571264480 945485809 /nfs/dbraw/zinc/48/58/09/945485809.db2.gz PJVKCCOGMDOLLQ-BRWVUGGUSA-N 2 2 385.472 0.276 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001571264480 945485815 /nfs/dbraw/zinc/48/58/15/945485815.db2.gz PJVKCCOGMDOLLQ-BRWVUGGUSA-N 2 2 385.472 0.276 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001571264480 945485825 /nfs/dbraw/zinc/48/58/25/945485825.db2.gz PJVKCCOGMDOLLQ-BRWVUGGUSA-N 2 2 385.472 0.276 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001571264867 945493733 /nfs/dbraw/zinc/49/37/33/945493733.db2.gz ZEBTUMGHIZUCIN-KBRIMQKVSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001571264867 945493737 /nfs/dbraw/zinc/49/37/37/945493737.db2.gz ZEBTUMGHIZUCIN-KBRIMQKVSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001571264867 945493741 /nfs/dbraw/zinc/49/37/41/945493741.db2.gz ZEBTUMGHIZUCIN-KBRIMQKVSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001571264867 945493744 /nfs/dbraw/zinc/49/37/44/945493744.db2.gz ZEBTUMGHIZUCIN-KBRIMQKVSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574920099 948886179 /nfs/dbraw/zinc/88/61/79/948886179.db2.gz CDNGPBPSJRUILS-LBPRGKRZSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574920886 948910257 /nfs/dbraw/zinc/91/02/57/948910257.db2.gz QDAZBCLJMJPBME-GFCCVEGCSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@H](CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574484640 949891433 /nfs/dbraw/zinc/89/14/33/949891433.db2.gz LCMFPINNLRZGDK-ZIAGYGMSSA-N 2 2 381.444 0.934 20 0 GCADLP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576192714 950261370 /nfs/dbraw/zinc/26/13/70/950261370.db2.gz QFQCNHJOZKEJFD-UONOGXRCSA-N 2 2 381.444 0.477 20 0 GCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576192715 950262202 /nfs/dbraw/zinc/26/22/02/950262202.db2.gz QFQCNHJOZKEJFD-ZIAGYGMSSA-N 2 2 381.444 0.477 20 0 GCADLP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576192712 950262834 /nfs/dbraw/zinc/26/28/34/950262834.db2.gz QFQCNHJOZKEJFD-KBPBESRZSA-N 2 2 381.444 0.477 20 0 GCADLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575909509 950396878 /nfs/dbraw/zinc/39/68/78/950396878.db2.gz GVXXKKQXXHZDMV-GUYCJALGSA-N 2 2 380.456 0.922 20 0 GCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575909508 950398680 /nfs/dbraw/zinc/39/86/80/950398680.db2.gz GVXXKKQXXHZDMV-DYVFJYSZSA-N 2 2 380.456 0.922 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576204932 950482903 /nfs/dbraw/zinc/48/29/03/950482903.db2.gz SMCFRMDFCPYSIA-QGZVFWFLSA-N 2 2 384.488 0.722 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001576205072 950494149 /nfs/dbraw/zinc/49/41/49/950494149.db2.gz GNKQFOPVQSFFIK-ZDUSSCGKSA-N 2 2 387.463 0.896 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001576205072 950494168 /nfs/dbraw/zinc/49/41/68/950494168.db2.gz GNKQFOPVQSFFIK-ZDUSSCGKSA-N 2 2 387.463 0.896 20 0 GCADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574999274 950576586 /nfs/dbraw/zinc/57/65/86/950576586.db2.gz IDSRCDDOWCFJFP-LBPRGKRZSA-N 2 2 384.444 0.824 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001576206654 950578249 /nfs/dbraw/zinc/57/82/49/950578249.db2.gz YPAZYVSJKDSAIU-CQSZACIVSA-N 2 2 384.488 0.866 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001576206654 950578271 /nfs/dbraw/zinc/57/82/71/950578271.db2.gz YPAZYVSJKDSAIU-CQSZACIVSA-N 2 2 384.488 0.866 20 0 GCADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575001138 950624807 /nfs/dbraw/zinc/62/48/07/950624807.db2.gz UCXHYERAWKPLJL-NSHDSACASA-N 2 2 385.432 0.566 20 0 GCADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575001624 950641872 /nfs/dbraw/zinc/64/18/72/950641872.db2.gz WRVQEOUVJMPKDV-SNVBAGLBSA-N 2 2 390.473 0.886 20 0 GCADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)n1cc[nH+]c1 ZINC001574518748 950660732 /nfs/dbraw/zinc/66/07/32/950660732.db2.gz QUFZAYXRVPSZDB-HVOFVXBASA-N 2 2 379.428 0.660 20 0 GCADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575082253 951732624 /nfs/dbraw/zinc/73/26/24/951732624.db2.gz WQCPDRFEOMHZDA-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001575144081 952161029 /nfs/dbraw/zinc/16/10/29/952161029.db2.gz FZABYRQZNWUSKP-SFHVURJKSA-N 2 2 381.444 0.667 20 0 GCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001575145016 952177385 /nfs/dbraw/zinc/17/73/85/952177385.db2.gz OEUJNPPKWMVAPR-STQMWFEESA-N 2 2 381.444 0.402 20 0 GCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571157963 952709257 /nfs/dbraw/zinc/70/92/57/952709257.db2.gz OSRPGARPLFZDTP-LAQFHYBYSA-N 2 2 379.428 0.395 20 0 GCADLP C[C@H](CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001571183633 952880828 /nfs/dbraw/zinc/88/08/28/952880828.db2.gz GLXODAFHNSZUOZ-KGLIPLIRSA-N 2 2 381.444 0.792 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571188984 952922497 /nfs/dbraw/zinc/92/24/97/952922497.db2.gz LECBHLQERHGVON-SWLSCSKDSA-N 2 2 381.444 0.357 20 0 GCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c[nH+]1 ZINC001571189383 952929239 /nfs/dbraw/zinc/92/92/39/952929239.db2.gz VWYOOEZJMSLKPL-BETUJISGSA-N 2 2 381.444 0.683 20 0 GCADLP Cc1cc(N[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189493 952929655 /nfs/dbraw/zinc/92/96/55/952929655.db2.gz WAIFHOCXIPEOGI-AWEZNQCLSA-N 2 2 381.444 0.607 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571212415 953088193 /nfs/dbraw/zinc/08/81/93/953088193.db2.gz LLDCRWUOOJMGAZ-GVDBMIGSSA-N 2 2 382.472 0.926 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571212415 953088195 /nfs/dbraw/zinc/08/81/95/953088195.db2.gz LLDCRWUOOJMGAZ-GVDBMIGSSA-N 2 2 382.472 0.926 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571219348 953124791 /nfs/dbraw/zinc/12/47/91/953124791.db2.gz XRVPBBSCUWWHAK-GOEBONIOSA-N 2 2 382.472 0.785 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571241532 953247381 /nfs/dbraw/zinc/24/73/81/953247381.db2.gz CFKZWUPLRGMGKB-HNNXBMFYSA-N 2 2 384.419 0.901 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571241532 953247384 /nfs/dbraw/zinc/24/73/84/953247384.db2.gz CFKZWUPLRGMGKB-HNNXBMFYSA-N 2 2 384.419 0.901 20 0 GCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571241849 953250740 /nfs/dbraw/zinc/25/07/40/953250740.db2.gz NCTRYASXFVVMFA-UHFFFAOYSA-N 2 2 384.419 0.956 20 0 GCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2 ZINC001571247701 953285413 /nfs/dbraw/zinc/28/54/13/953285413.db2.gz CIIASWGZXBTJKM-UHFFFAOYSA-N 2 2 384.469 0.928 20 0 GCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)s1)C2 ZINC001571247701 953285415 /nfs/dbraw/zinc/28/54/15/953285415.db2.gz CIIASWGZXBTJKM-UHFFFAOYSA-N 2 2 384.469 0.928 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571249085 953300774 /nfs/dbraw/zinc/30/07/74/953300774.db2.gz CUMITWQMQJHVJV-CJNGLKHVSA-N 2 2 384.488 0.935 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571249085 953300778 /nfs/dbraw/zinc/30/07/78/953300778.db2.gz CUMITWQMQJHVJV-CJNGLKHVSA-N 2 2 384.488 0.935 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252340 953327500 /nfs/dbraw/zinc/32/75/00/953327500.db2.gz LJRWQRAJEYEGOT-WMLDXEAASA-N 2 2 384.488 0.961 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252340 953327505 /nfs/dbraw/zinc/32/75/05/953327505.db2.gz LJRWQRAJEYEGOT-WMLDXEAASA-N 2 2 384.488 0.961 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@H+](C)C[C@H](C(=O)[O-])C3)CC2)CC1 ZINC001598585865 993381698 /nfs/dbraw/zinc/38/16/98/993381698.db2.gz OBGYFJTZEXJXLC-HNNXBMFYSA-N 2 2 381.521 0.203 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@@H+](C)C[C@H](C(=O)[O-])C3)CC2)CC1 ZINC001598585865 993381703 /nfs/dbraw/zinc/38/17/03/993381703.db2.gz OBGYFJTZEXJXLC-HNNXBMFYSA-N 2 2 381.521 0.203 20 0 GCADLP Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)c(C)s1 ZINC000653080479 530122962 /nfs/dbraw/zinc/12/29/62/530122962.db2.gz JDFWXOVBVUSPHD-AWEZNQCLSA-N 2 2 388.559 0.477 20 0 GCADLP C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000583990149 530127808 /nfs/dbraw/zinc/12/78/08/530127808.db2.gz IWIPGUURRQXNMA-CYBMUJFWSA-N 2 2 379.885 0.802 20 0 GCADLP C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000583990149 530127817 /nfs/dbraw/zinc/12/78/17/530127817.db2.gz IWIPGUURRQXNMA-CYBMUJFWSA-N 2 2 379.885 0.802 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000653154309 530190844 /nfs/dbraw/zinc/19/08/44/530190844.db2.gz OHGGZQVVEXBTAG-KBPBESRZSA-N 2 2 383.290 0.728 20 0 GCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000271658760 530274255 /nfs/dbraw/zinc/27/42/55/530274255.db2.gz CWKNNULXOKJNHK-CQSZACIVSA-N 2 2 389.543 0.145 20 0 GCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@H](C[NH3+])C1 ZINC000572600428 530277014 /nfs/dbraw/zinc/27/70/14/530277014.db2.gz UYTLDSGUMJJJDS-IUODEOHRSA-N 2 2 395.301 0.903 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@H](C[NH3+])C1 ZINC000572600428 530277016 /nfs/dbraw/zinc/27/70/16/530277016.db2.gz UYTLDSGUMJJJDS-IUODEOHRSA-N 2 2 395.301 0.903 20 0 GCADLP CN(C(=O)c1sccc1S(N)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617693 530260634 /nfs/dbraw/zinc/26/06/34/530260634.db2.gz KYERVUQXAXRUCS-ZDUSSCGKSA-N 2 2 386.543 0.636 20 0 GCADLP CN(C(=O)c1sccc1S(N)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617693 530260635 /nfs/dbraw/zinc/26/06/35/530260635.db2.gz KYERVUQXAXRUCS-ZDUSSCGKSA-N 2 2 386.543 0.636 20 0 GCADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000571656712 530323271 /nfs/dbraw/zinc/32/32/71/530323271.db2.gz DKLJQRQYHNICQU-OLZOCXBDSA-N 2 2 393.535 0.286 20 0 GCADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000571656712 530323272 /nfs/dbraw/zinc/32/32/72/530323272.db2.gz DKLJQRQYHNICQU-OLZOCXBDSA-N 2 2 393.535 0.286 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N(C)CCC[NH3+])[nH+]c12 ZINC000565252701 530326748 /nfs/dbraw/zinc/32/67/48/530326748.db2.gz FEGMUWRAGXKGDK-UHFFFAOYSA-N 2 2 396.289 0.871 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132903 530368202 /nfs/dbraw/zinc/36/82/02/530368202.db2.gz BTOATMMTWOBWGB-QWHCGFSZSA-N 2 2 392.257 0.201 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132903 530368203 /nfs/dbraw/zinc/36/82/03/530368203.db2.gz BTOATMMTWOBWGB-QWHCGFSZSA-N 2 2 392.257 0.201 20 0 GCADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000460264406 530370856 /nfs/dbraw/zinc/37/08/56/530370856.db2.gz JKUWMQOWYGBBEC-HNNXBMFYSA-N 2 2 382.262 0.963 20 0 GCADLP C[N@H+]1CC[C@](O)(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000460264406 530370859 /nfs/dbraw/zinc/37/08/59/530370859.db2.gz JKUWMQOWYGBBEC-HNNXBMFYSA-N 2 2 382.262 0.963 20 0 GCADLP CC(=O)Nc1ncc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000286758729 530403676 /nfs/dbraw/zinc/40/36/76/530403676.db2.gz VMGQDJPUDPLZPY-UHFFFAOYSA-N 2 2 389.547 0.748 20 0 GCADLP CC(=O)Nc1ncc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000286758729 530403679 /nfs/dbraw/zinc/40/36/79/530403679.db2.gz VMGQDJPUDPLZPY-UHFFFAOYSA-N 2 2 389.547 0.748 20 0 GCADLP COC1CC[NH+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463414945 530483356 /nfs/dbraw/zinc/48/33/56/530483356.db2.gz HEDWIVWWOJXYIZ-UHFFFAOYSA-N 2 2 377.551 0.518 20 0 GCADLP NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000521437024 530486283 /nfs/dbraw/zinc/48/62/83/530486283.db2.gz JCTOXFIGBNZQNP-GXTWGEPZSA-N 2 2 383.290 0.762 20 0 GCADLP NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000521437024 530486284 /nfs/dbraw/zinc/48/62/84/530486284.db2.gz JCTOXFIGBNZQNP-GXTWGEPZSA-N 2 2 383.290 0.762 20 0 GCADLP CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC[NH2+]C)c2)CC1 ZINC000236887261 530518974 /nfs/dbraw/zinc/51/89/74/530518974.db2.gz XWNPOIBPNUOBEQ-UHFFFAOYSA-N 2 2 388.921 0.615 20 0 GCADLP CN(CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)s1 ZINC000573719493 530583168 /nfs/dbraw/zinc/58/31/68/530583168.db2.gz SPMCAFXPOTZWPL-JTQLQIEISA-N 2 2 380.923 0.123 20 0 GCADLP CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)s1 ZINC000573719493 530583169 /nfs/dbraw/zinc/58/31/69/530583169.db2.gz SPMCAFXPOTZWPL-JTQLQIEISA-N 2 2 380.923 0.123 20 0 GCADLP C[N@H+](CCOCC[NH3+])CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000629580519 530583725 /nfs/dbraw/zinc/58/37/25/530583725.db2.gz WUMJYSXWEWBCFJ-CQSZACIVSA-N 2 2 389.543 0.171 20 0 GCADLP C[N@@H+](CCOCC[NH3+])CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000629580519 530583728 /nfs/dbraw/zinc/58/37/28/530583728.db2.gz WUMJYSXWEWBCFJ-CQSZACIVSA-N 2 2 389.543 0.171 20 0 GCADLP COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000327771820 530578783 /nfs/dbraw/zinc/57/87/83/530578783.db2.gz LSYDXCHIEBBZMW-JKSUJKDBSA-N 2 2 375.535 0.616 20 0 GCADLP COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000327771820 530578787 /nfs/dbraw/zinc/57/87/87/530578787.db2.gz LSYDXCHIEBBZMW-JKSUJKDBSA-N 2 2 375.535 0.616 20 0 GCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000536224557 530592568 /nfs/dbraw/zinc/59/25/68/530592568.db2.gz HNKHUVOPQNNMTC-UHFFFAOYSA-N 2 2 389.547 0.221 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000462902210 530654696 /nfs/dbraw/zinc/65/46/96/530654696.db2.gz IGKBBIZCIMDFAS-HZPDHXFCSA-N 2 2 375.535 0.854 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000462902211 530654933 /nfs/dbraw/zinc/65/49/33/530654933.db2.gz IGKBBIZCIMDFAS-JKSUJKDBSA-N 2 2 375.535 0.854 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CS(=O)(=O)CC ZINC000465915662 530667840 /nfs/dbraw/zinc/66/78/40/530667840.db2.gz AMZNKRHKWHZPFO-HZPDHXFCSA-N 2 2 376.567 0.867 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CS(=O)(=O)CC ZINC000465915662 530667841 /nfs/dbraw/zinc/66/78/41/530667841.db2.gz AMZNKRHKWHZPFO-HZPDHXFCSA-N 2 2 376.567 0.867 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCSCC1 ZINC000655712755 530677757 /nfs/dbraw/zinc/67/77/57/530677757.db2.gz RSGPNEWZTYQKIF-INIZCTEOSA-N 2 2 377.576 0.598 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)N1CCSCC1 ZINC000655712756 530677844 /nfs/dbraw/zinc/67/78/44/530677844.db2.gz RSGPNEWZTYQKIF-MRXNPFEDSA-N 2 2 377.576 0.598 20 0 GCADLP Cc1nn(C)c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1Br ZINC000373843031 530786460 /nfs/dbraw/zinc/78/64/60/530786460.db2.gz SYSFAJYMAHYEES-CQSZACIVSA-N 2 2 386.338 0.987 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)NC[C@@H]1CCCCO1 ZINC000655727500 530801430 /nfs/dbraw/zinc/80/14/30/530801430.db2.gz OISDDGCUASRWPG-SJORKVTESA-N 2 2 375.535 0.318 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)NC[C@H]1CCCCO1 ZINC000655727497 530801515 /nfs/dbraw/zinc/80/15/15/530801515.db2.gz OISDDGCUASRWPG-IAGOWNOFSA-N 2 2 375.535 0.318 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000653058096 530862047 /nfs/dbraw/zinc/86/20/47/530862047.db2.gz DMIIPDRLUYUZKZ-OAHLLOKOSA-N 2 2 388.921 0.452 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000653060134 530862251 /nfs/dbraw/zinc/86/22/51/530862251.db2.gz ZRGKGGJDICZQCL-NSHDSACASA-N 2 2 394.950 0.513 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000653059808 530862321 /nfs/dbraw/zinc/86/23/21/530862321.db2.gz OCTJGMYIJPFDEV-AWEZNQCLSA-N 2 2 388.921 0.452 20 0 GCADLP CC[C@H](C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000656379893 530841150 /nfs/dbraw/zinc/84/11/50/530841150.db2.gz MOMRAFPLOYXIGH-ZDUSSCGKSA-N 2 2 393.535 0.287 20 0 GCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCN(C)S(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000584716970 530922481 /nfs/dbraw/zinc/92/24/81/530922481.db2.gz PZDZTORAPVGBRL-RBSFLKMASA-N 2 2 391.559 0.428 20 0 GCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419982016 530964537 /nfs/dbraw/zinc/96/45/37/530964537.db2.gz AVTBKHYWKOJDGK-GWCFXTLKSA-N 2 2 394.273 0.957 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)[nH+]c12 ZINC000419036243 530952685 /nfs/dbraw/zinc/95/26/85/530952685.db2.gz BGHZZUZWLMBJCT-ZWNOBZJWSA-N 2 2 394.273 0.827 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[nH+]c12 ZINC000419047545 530953517 /nfs/dbraw/zinc/95/35/17/530953517.db2.gz YJOIYLOZWDAGLA-VIFPVBQESA-N 2 2 382.262 0.732 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)[nH+]c12 ZINC000419047008 530953610 /nfs/dbraw/zinc/95/36/10/530953610.db2.gz XFJWTXBQWYUKMP-GFCCVEGCSA-N 2 2 394.273 0.890 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)[nH+]c12 ZINC000419044084 530953644 /nfs/dbraw/zinc/95/36/44/530953644.db2.gz OVYBBUQMKQEMDM-LLVKDONJSA-N 2 2 394.273 0.829 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)[nH+]c12 ZINC000419046596 530953719 /nfs/dbraw/zinc/95/37/19/530953719.db2.gz VZMDBJJYHOADDW-LBPRGKRZSA-N 2 2 394.273 0.971 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)[nH+]c12 ZINC000419047968 530954134 /nfs/dbraw/zinc/95/41/34/530954134.db2.gz YZIKPMHTZPGRAB-ZDUSSCGKSA-N 2 2 394.273 0.875 20 0 GCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420161594 530966028 /nfs/dbraw/zinc/96/60/28/530966028.db2.gz JWSYJMOHRUHASV-ZWNOBZJWSA-N 2 2 394.273 0.970 20 0 GCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420161586 530966142 /nfs/dbraw/zinc/96/61/42/530966142.db2.gz JWSYJMOHRUHASV-GWCFXTLKSA-N 2 2 394.273 0.970 20 0 GCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420129736 530966285 /nfs/dbraw/zinc/96/62/85/530966285.db2.gz XGNHHRBWUKUPPG-GWCFXTLKSA-N 2 2 394.273 0.827 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350303 530967405 /nfs/dbraw/zinc/96/74/05/530967405.db2.gz GLJKOSRTXFGSTR-JOYOIKCWSA-N 2 2 377.226 0.870 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350303 530967410 /nfs/dbraw/zinc/96/74/10/530967410.db2.gz GLJKOSRTXFGSTR-JOYOIKCWSA-N 2 2 377.226 0.870 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)S(C)(=O)=O ZINC000420361678 530967473 /nfs/dbraw/zinc/96/74/73/530967473.db2.gz IFOQYJOBZAYVRQ-MRXNPFEDSA-N 2 2 376.567 0.660 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662681843 531022790 /nfs/dbraw/zinc/02/27/90/531022790.db2.gz MEODSTPONIYVAR-HNNXBMFYSA-N 2 2 383.290 0.776 20 0 GCADLP C[N@@H+]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[C@H](C[NH3+])C1 ZINC000162469694 531001878 /nfs/dbraw/zinc/00/18/78/531001878.db2.gz DYZYVODJUBTZEV-LLVKDONJSA-N 2 2 395.257 0.146 20 0 GCADLP C[N@H+]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[C@H](C[NH3+])C1 ZINC000162469694 531001882 /nfs/dbraw/zinc/00/18/82/531001882.db2.gz DYZYVODJUBTZEV-LLVKDONJSA-N 2 2 395.257 0.146 20 0 GCADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000538875195 531036749 /nfs/dbraw/zinc/03/67/49/531036749.db2.gz UWVIBTHUSYLSFS-AWEZNQCLSA-N 2 2 387.933 0.995 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC000666489024 531102077 /nfs/dbraw/zinc/10/20/77/531102077.db2.gz MALCXHHSRKDSOK-UHFFFAOYSA-N 2 2 376.567 0.869 20 0 GCADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000550887186 531134395 /nfs/dbraw/zinc/13/43/95/531134395.db2.gz VCBNKYWNHMIUDP-OCCSQVGLSA-N 2 2 385.306 0.929 20 0 GCADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000550887186 531134397 /nfs/dbraw/zinc/13/43/97/531134397.db2.gz VCBNKYWNHMIUDP-OCCSQVGLSA-N 2 2 385.306 0.929 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C[C@H](O)C[NH3+] ZINC000649419812 531144376 /nfs/dbraw/zinc/14/43/76/531144376.db2.gz XEWWBRPSNLPBMF-GFCCVEGCSA-N 2 2 376.288 0.288 20 0 GCADLP C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C[C@H](O)C[NH3+] ZINC000649419812 531144379 /nfs/dbraw/zinc/14/43/79/531144379.db2.gz XEWWBRPSNLPBMF-GFCCVEGCSA-N 2 2 376.288 0.288 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000680951794 531162666 /nfs/dbraw/zinc/16/26/66/531162666.db2.gz WWSZCXZMBINVLT-KRWDZBQOSA-N 2 2 375.535 0.225 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000680951794 531162669 /nfs/dbraw/zinc/16/26/69/531162669.db2.gz WWSZCXZMBINVLT-KRWDZBQOSA-N 2 2 375.535 0.225 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735835527 598518323 /nfs/dbraw/zinc/51/83/23/598518323.db2.gz JRKZAJUOMKBVMF-KBPBESRZSA-N 2 2 375.481 0.051 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735835527 598518324 /nfs/dbraw/zinc/51/83/24/598518324.db2.gz JRKZAJUOMKBVMF-KBPBESRZSA-N 2 2 375.481 0.051 20 0 GCADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cn1 ZINC000737500062 598524903 /nfs/dbraw/zinc/52/49/03/598524903.db2.gz CBLUIHOABAKWHD-CQSZACIVSA-N 2 2 391.443 0.784 20 0 GCADLP C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736171522 598768187 /nfs/dbraw/zinc/76/81/87/598768187.db2.gz WVZIVBIBYDISBN-GOEBONIOSA-N 2 2 399.499 0.919 20 0 GCADLP C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736171522 598768189 /nfs/dbraw/zinc/76/81/89/598768189.db2.gz WVZIVBIBYDISBN-GOEBONIOSA-N 2 2 399.499 0.919 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736851905 598811955 /nfs/dbraw/zinc/81/19/55/598811955.db2.gz MIZAOBXZIIZMMN-UHFFFAOYSA-N 2 2 386.504 0.763 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736851905 598811957 /nfs/dbraw/zinc/81/19/57/598811957.db2.gz MIZAOBXZIIZMMN-UHFFFAOYSA-N 2 2 386.504 0.763 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736744584 599488363 /nfs/dbraw/zinc/48/83/63/599488363.db2.gz AWWKQNSRGAFQTH-MRXNPFEDSA-N 2 2 397.487 0.547 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736744584 599488365 /nfs/dbraw/zinc/48/83/65/599488365.db2.gz AWWKQNSRGAFQTH-MRXNPFEDSA-N 2 2 397.487 0.547 20 0 GCADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000738422313 599491625 /nfs/dbraw/zinc/49/16/25/599491625.db2.gz WOJVSFDFOGIAHN-INIZCTEOSA-N 2 2 397.487 0.011 20 0 GCADLP C[NH+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821583398 606188275 /nfs/dbraw/zinc/18/82/75/606188275.db2.gz UHIPODSUZMLRDH-UHFFFAOYSA-N 2 2 378.502 0.914 20 0 GCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821601439 607121178 /nfs/dbraw/zinc/12/11/78/607121178.db2.gz HNDRJWIGZSJUQH-OAHLLOKOSA-N 2 2 380.412 0.717 20 0 GCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821601439 607121180 /nfs/dbraw/zinc/12/11/80/607121180.db2.gz HNDRJWIGZSJUQH-OAHLLOKOSA-N 2 2 380.412 0.717 20 0 GCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825934676 608036004 /nfs/dbraw/zinc/03/60/04/608036004.db2.gz PRVXEIDPJMEEHM-HNNXBMFYSA-N 2 2 399.503 0.529 20 0 GCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825934676 608036005 /nfs/dbraw/zinc/03/60/05/608036005.db2.gz PRVXEIDPJMEEHM-HNNXBMFYSA-N 2 2 399.503 0.529 20 0 GCADLP C[NH+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000825934676 608036006 /nfs/dbraw/zinc/03/60/06/608036006.db2.gz PRVXEIDPJMEEHM-HNNXBMFYSA-N 2 2 399.503 0.529 20 0 GCADLP C[NH+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000825934676 608036007 /nfs/dbraw/zinc/03/60/07/608036007.db2.gz PRVXEIDPJMEEHM-HNNXBMFYSA-N 2 2 399.503 0.529 20 0 GCADLP C[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000841163670 638680619 /nfs/dbraw/zinc/68/06/19/638680619.db2.gz HRNMXRQVOILTFZ-UHFFFAOYSA-N 2 2 398.305 0.475 20 0 GCADLP CN(C(=O)[C@@H]1CC1(Cl)Cl)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980239 639204766 /nfs/dbraw/zinc/20/47/66/639204766.db2.gz PFQJUHLSGGHYEG-AWEZNQCLSA-N 2 2 391.343 0.877 20 0 GCADLP O=S(=O)(CC[NH+]1CCC(CCO)CC1)CC[NH+]1CCC(CCO)CC1 ZINC000730261080 639642848 /nfs/dbraw/zinc/64/28/48/639642848.db2.gz RFCCAQYVFCHYBV-UHFFFAOYSA-N 2 2 376.563 0.590 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)CC1(O)CCCC1)CC1(O)CCCC1 ZINC000152102556 639683118 /nfs/dbraw/zinc/68/31/18/639683118.db2.gz OVIQCPJHJGULLB-UHFFFAOYSA-N 2 2 376.563 0.875 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)CC1(O)CCCC1)CC1(O)CCCC1 ZINC000152102556 639683120 /nfs/dbraw/zinc/68/31/20/639683120.db2.gz OVIQCPJHJGULLB-UHFFFAOYSA-N 2 2 376.563 0.875 20 0 GCADLP CC(C)(O)[C@@H]1CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880146306 641628443 /nfs/dbraw/zinc/62/84/43/641628443.db2.gz LFUUQLMYXRSZKH-IYBDPMFKSA-N 2 2 376.563 0.587 20 0 GCADLP CC(C)(O)[C@@H]1CC[NH+](CCS(=O)(=O)CC[N@@H+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880146306 641628448 /nfs/dbraw/zinc/62/84/48/641628448.db2.gz LFUUQLMYXRSZKH-IYBDPMFKSA-N 2 2 376.563 0.587 20 0 GCADLP CC(C)(O)[C@@H]1CC[N@@H+](CCS(=O)(=O)CC[NH+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880146306 641628449 /nfs/dbraw/zinc/62/84/49/641628449.db2.gz LFUUQLMYXRSZKH-IYBDPMFKSA-N 2 2 376.563 0.587 20 0 GCADLP CC(C)(O)[C@@H]1CC[N@H+](CCS(=O)(=O)CC[NH+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880146306 641628454 /nfs/dbraw/zinc/62/84/54/641628454.db2.gz LFUUQLMYXRSZKH-IYBDPMFKSA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+]1CC[C@H]1CNC(=O)c1oc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1Br ZINC000928554276 641949090 /nfs/dbraw/zinc/94/90/90/641949090.db2.gz GOJKOZOHOSSNRO-QWRGUYRKSA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@H]1CNC(=O)c1oc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1Br ZINC000928554276 641949093 /nfs/dbraw/zinc/94/90/93/641949093.db2.gz GOJKOZOHOSSNRO-QWRGUYRKSA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@H]1CNC(=O)c1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+]2C)o1 ZINC000928554276 641949096 /nfs/dbraw/zinc/94/90/96/641949096.db2.gz GOJKOZOHOSSNRO-QWRGUYRKSA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@H]1CNC(=O)c1cc(Br)c(C(=O)NC[C@@H]2CC[N@H+]2C)o1 ZINC000928554276 641949099 /nfs/dbraw/zinc/94/90/99/641949099.db2.gz GOJKOZOHOSSNRO-QWRGUYRKSA-N 2 2 399.289 0.910 20 0 GCADLP CC(C)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000109402825 642686876 /nfs/dbraw/zinc/68/68/76/642686876.db2.gz LOKKVPAOVYYXCW-UHFFFAOYSA-N 2 2 376.567 0.725 20 0 GCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001691766735 1192207733 /nfs/dbraw/zinc/20/77/33/1192207733.db2.gz ZDJVVJMWUGQOPG-YFHUEUNASA-N 2 2 389.500 0.209 20 0 GCADLP CC[C@@H]1CO[C@@H](CC)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000652513591 1192235021 /nfs/dbraw/zinc/23/50/21/1192235021.db2.gz DUWWWYGVGZHSON-AEFFLSMTSA-N 2 2 382.549 0.887 20 0 GCADLP CC[C@@H]1CO[C@@H](CC)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000652513591 1192235024 /nfs/dbraw/zinc/23/50/24/1192235024.db2.gz DUWWWYGVGZHSON-AEFFLSMTSA-N 2 2 382.549 0.887 20 0 GCADLP O=C(CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662153109 1192248204 /nfs/dbraw/zinc/24/82/04/1192248204.db2.gz NYDZHJSDISARIB-LJQANCHMSA-N 2 2 392.569 0.923 20 0 GCADLP O=C(CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662153109 1192248207 /nfs/dbraw/zinc/24/82/07/1192248207.db2.gz NYDZHJSDISARIB-LJQANCHMSA-N 2 2 392.569 0.923 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152694 1192248399 /nfs/dbraw/zinc/24/83/99/1192248399.db2.gz XRKXTABXPRSPPR-PKOBYXMFSA-N 2 2 387.528 0.650 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152694 1192248402 /nfs/dbraw/zinc/24/84/02/1192248402.db2.gz XRKXTABXPRSPPR-PKOBYXMFSA-N 2 2 387.528 0.650 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000652611853 1192255143 /nfs/dbraw/zinc/25/51/43/1192255143.db2.gz ZTSWTFYPKQMGHZ-UHFFFAOYSA-N 2 2 378.473 0.981 20 0 GCADLP COCCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000636707922 1192275096 /nfs/dbraw/zinc/27/50/96/1192275096.db2.gz WTQWJOWMTJCNAX-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP COCCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000636707922 1192275099 /nfs/dbraw/zinc/27/50/99/1192275099.db2.gz WTQWJOWMTJCNAX-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000663303437 1192275638 /nfs/dbraw/zinc/27/56/38/1192275638.db2.gz GELVUMAYRONXMY-FUHWJXTLSA-N 2 2 388.516 0.357 20 0 GCADLP COc1ccnc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1OC ZINC000662281815 1192276222 /nfs/dbraw/zinc/27/62/22/1192276222.db2.gz PLCAAPXRNSXNQL-GDBMZVCRSA-N 2 2 375.473 0.819 20 0 GCADLP COc1ccnc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1OC ZINC000662281815 1192276224 /nfs/dbraw/zinc/27/62/24/1192276224.db2.gz PLCAAPXRNSXNQL-GDBMZVCRSA-N 2 2 375.473 0.819 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000662285878 1192277184 /nfs/dbraw/zinc/27/71/84/1192277184.db2.gz KMXLQWYAELJHHL-MRXNPFEDSA-N 2 2 387.546 0.039 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cnnn1C1CC[NH2+]CC1 ZINC000662347631 1192284996 /nfs/dbraw/zinc/28/49/96/1192284996.db2.gz IJTBYVVACPGQSL-SFHVURJKSA-N 2 2 384.484 0.833 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cnnn1C1CC[NH2+]CC1 ZINC000662347631 1192285000 /nfs/dbraw/zinc/28/50/00/1192285000.db2.gz IJTBYVVACPGQSL-SFHVURJKSA-N 2 2 384.484 0.833 20 0 GCADLP C[NH+](C)C1(CNC(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC1 ZINC000636739623 1192292867 /nfs/dbraw/zinc/29/28/67/1192292867.db2.gz IQBRQXVGGAQSSL-UHFFFAOYSA-N 2 2 391.541 0.852 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662466795 1192301011 /nfs/dbraw/zinc/30/10/11/1192301011.db2.gz ZHEMRYXZUZSPFA-INIZCTEOSA-N 2 2 398.515 0.538 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCC3CC[NH2+]CC3)c2)CC1 ZINC000652644307 1192309611 /nfs/dbraw/zinc/30/96/11/1192309611.db2.gz YKRALXTUFVRDLQ-UHFFFAOYSA-N 2 2 387.528 0.878 20 0 GCADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC000636877721 1192334002 /nfs/dbraw/zinc/33/40/02/1192334002.db2.gz MLHFCHCQLSCSMK-NEWSRXKRSA-N 2 2 388.512 0.521 20 0 GCADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC000636877721 1192334004 /nfs/dbraw/zinc/33/40/04/1192334004.db2.gz MLHFCHCQLSCSMK-NEWSRXKRSA-N 2 2 388.512 0.521 20 0 GCADLP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000636877721 1192334006 /nfs/dbraw/zinc/33/40/06/1192334006.db2.gz MLHFCHCQLSCSMK-NEWSRXKRSA-N 2 2 388.512 0.521 20 0 GCADLP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000636877721 1192334009 /nfs/dbraw/zinc/33/40/09/1192334009.db2.gz MLHFCHCQLSCSMK-NEWSRXKRSA-N 2 2 388.512 0.521 20 0 GCADLP C[NH+](C)CC(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000051763196 1192351084 /nfs/dbraw/zinc/35/10/84/1192351084.db2.gz AWRFKMQVEUHQMA-UHFFFAOYSA-N 2 2 387.528 0.037 20 0 GCADLP O=C(CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000604385576 1192358913 /nfs/dbraw/zinc/35/89/13/1192358913.db2.gz CPMAASWNEVFNNU-RTBURBONSA-N 2 2 392.569 0.923 20 0 GCADLP CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663546444 1192381685 /nfs/dbraw/zinc/38/16/85/1192381685.db2.gz VPTWQAOJSITAFO-UHFFFAOYSA-N 2 2 399.561 0.620 20 0 GCADLP CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663546444 1192381687 /nfs/dbraw/zinc/38/16/87/1192381687.db2.gz VPTWQAOJSITAFO-UHFFFAOYSA-N 2 2 399.561 0.620 20 0 GCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000663557037 1192388677 /nfs/dbraw/zinc/38/86/77/1192388677.db2.gz NXGKNFQFGPQYNT-UHFFFAOYSA-N 2 2 376.505 0.843 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000663587973 1192404254 /nfs/dbraw/zinc/40/42/54/1192404254.db2.gz CLCXBSMKQFOMKZ-SJORKVTESA-N 2 2 390.532 0.742 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000663587973 1192404258 /nfs/dbraw/zinc/40/42/58/1192404258.db2.gz CLCXBSMKQFOMKZ-SJORKVTESA-N 2 2 390.532 0.742 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663613201 1192417723 /nfs/dbraw/zinc/41/77/23/1192417723.db2.gz XMBLYYJJYUZAJS-FQEVSTJZSA-N 2 2 387.484 0.157 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000663616804 1192420481 /nfs/dbraw/zinc/42/04/81/1192420481.db2.gz DTPVUIQVIOIRHJ-IAGOWNOFSA-N 2 2 393.532 0.093 20 0 GCADLP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000279085204 1192461122 /nfs/dbraw/zinc/46/11/22/1192461122.db2.gz VPPGLOUEFNLVKT-SJORKVTESA-N 2 2 399.495 0.684 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279135495 1192471359 /nfs/dbraw/zinc/47/13/59/1192471359.db2.gz WSXZHMLLKUNCGW-QLVMHMETSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279135495 1192471365 /nfs/dbraw/zinc/47/13/65/1192471365.db2.gz WSXZHMLLKUNCGW-QLVMHMETSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279135495 1192471367 /nfs/dbraw/zinc/47/13/67/1192471367.db2.gz WSXZHMLLKUNCGW-QLVMHMETSA-N 2 2 399.495 0.440 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279135495 1192471369 /nfs/dbraw/zinc/47/13/69/1192471369.db2.gz WSXZHMLLKUNCGW-QLVMHMETSA-N 2 2 399.495 0.440 20 0 GCADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000279179515 1192478612 /nfs/dbraw/zinc/47/86/12/1192478612.db2.gz LUOYNYIIHYJPQS-QGZVFWFLSA-N 2 2 386.500 0.589 20 0 GCADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000279179515 1192478613 /nfs/dbraw/zinc/47/86/13/1192478613.db2.gz LUOYNYIIHYJPQS-QGZVFWFLSA-N 2 2 386.500 0.589 20 0 GCADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000279179515 1192478615 /nfs/dbraw/zinc/47/86/15/1192478615.db2.gz LUOYNYIIHYJPQS-QGZVFWFLSA-N 2 2 386.500 0.589 20 0 GCADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000279179515 1192478617 /nfs/dbraw/zinc/47/86/17/1192478617.db2.gz LUOYNYIIHYJPQS-QGZVFWFLSA-N 2 2 386.500 0.589 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000434187204 1192499674 /nfs/dbraw/zinc/49/96/74/1192499674.db2.gz QFAGKVAJRAFHDY-INIZCTEOSA-N 2 2 383.537 0.291 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000434187205 1192499967 /nfs/dbraw/zinc/49/99/67/1192499967.db2.gz QFAGKVAJRAFHDY-MRXNPFEDSA-N 2 2 383.537 0.291 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSCC(=O)N3CCOCC3)CC2)CC1 ZINC000050802783 1192502091 /nfs/dbraw/zinc/50/20/91/1192502091.db2.gz VRFDOZDOAGKKRN-UHFFFAOYSA-N 2 2 398.573 0.253 20 0 GCADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)C2)C1 ZINC000652679802 1192510116 /nfs/dbraw/zinc/51/01/16/1192510116.db2.gz NYTNJHJUJLZJEV-GVDBMIGSSA-N 2 2 385.468 0.695 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000279442334 1192541253 /nfs/dbraw/zinc/54/12/53/1192541253.db2.gz KZQMHTURYIEPKV-UHFFFAOYSA-N 2 2 386.456 0.775 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000279442334 1192541257 /nfs/dbraw/zinc/54/12/57/1192541257.db2.gz KZQMHTURYIEPKV-UHFFFAOYSA-N 2 2 386.456 0.775 20 0 GCADLP CC(C)[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000432543259 1192548499 /nfs/dbraw/zinc/54/84/99/1192548499.db2.gz SRTDDJAYCMJZGI-VAMGGRTRSA-N 2 2 398.592 0.627 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000637468010 1192576803 /nfs/dbraw/zinc/57/68/03/1192576803.db2.gz ITHFMZXBEKIVGM-XLIONFOSSA-N 2 2 380.533 0.918 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000637468010 1192576809 /nfs/dbraw/zinc/57/68/09/1192576809.db2.gz ITHFMZXBEKIVGM-XLIONFOSSA-N 2 2 380.533 0.918 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000637468010 1192576811 /nfs/dbraw/zinc/57/68/11/1192576811.db2.gz ITHFMZXBEKIVGM-XLIONFOSSA-N 2 2 380.533 0.918 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000637468010 1192576814 /nfs/dbraw/zinc/57/68/14/1192576814.db2.gz ITHFMZXBEKIVGM-XLIONFOSSA-N 2 2 380.533 0.918 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c1 ZINC000418753252 1192639907 /nfs/dbraw/zinc/63/99/07/1192639907.db2.gz CYFXNBVUHQRUES-LJQANCHMSA-N 2 2 392.500 0.780 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)c1 ZINC000418759389 1192640969 /nfs/dbraw/zinc/64/09/69/1192640969.db2.gz JIRIHONKYKGHJB-QGZVFWFLSA-N 2 2 391.516 0.305 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000418826064 1192656819 /nfs/dbraw/zinc/65/68/19/1192656819.db2.gz FQNVXGYAEGDQCL-YTQUADARSA-N 2 2 388.512 0.508 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000418826064 1192656822 /nfs/dbraw/zinc/65/68/22/1192656822.db2.gz FQNVXGYAEGDQCL-YTQUADARSA-N 2 2 388.512 0.508 20 0 GCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418822107 1192655573 /nfs/dbraw/zinc/65/55/73/1192655573.db2.gz ADQRZPBGYMEXPK-RBUKOAKNSA-N 2 2 388.512 0.591 20 0 GCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418822107 1192655577 /nfs/dbraw/zinc/65/55/77/1192655577.db2.gz ADQRZPBGYMEXPK-RBUKOAKNSA-N 2 2 388.512 0.591 20 0 GCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418822106 1192655720 /nfs/dbraw/zinc/65/57/20/1192655720.db2.gz ADQRZPBGYMEXPK-OALUTQOASA-N 2 2 388.512 0.591 20 0 GCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418822106 1192655723 /nfs/dbraw/zinc/65/57/23/1192655723.db2.gz ADQRZPBGYMEXPK-OALUTQOASA-N 2 2 388.512 0.591 20 0 GCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824913 1192656532 /nfs/dbraw/zinc/65/65/32/1192656532.db2.gz DOSPHJJEYKWVEH-MOPGFXCFSA-N 2 2 390.528 0.835 20 0 GCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824913 1192656533 /nfs/dbraw/zinc/65/65/33/1192656533.db2.gz DOSPHJJEYKWVEH-MOPGFXCFSA-N 2 2 390.528 0.835 20 0 GCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418826522 1192657515 /nfs/dbraw/zinc/65/75/15/1192657515.db2.gz GAXBGZPUEITCNS-MJGOQNOKSA-N 2 2 388.512 0.510 20 0 GCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418826522 1192657520 /nfs/dbraw/zinc/65/75/20/1192657520.db2.gz GAXBGZPUEITCNS-MJGOQNOKSA-N 2 2 388.512 0.510 20 0 GCADLP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000418833309 1192659338 /nfs/dbraw/zinc/65/93/38/1192659338.db2.gz NCHBSBUTQKEIIG-IBGZPJMESA-N 2 2 388.512 0.462 20 0 GCADLP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000418833309 1192659341 /nfs/dbraw/zinc/65/93/41/1192659341.db2.gz NCHBSBUTQKEIIG-IBGZPJMESA-N 2 2 388.512 0.462 20 0 GCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000418831610 1192659406 /nfs/dbraw/zinc/65/94/06/1192659406.db2.gz LHNJIXMDUXDRFN-APWZRJJASA-N 2 2 388.512 0.589 20 0 GCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000418831610 1192659408 /nfs/dbraw/zinc/65/94/08/1192659408.db2.gz LHNJIXMDUXDRFN-APWZRJJASA-N 2 2 388.512 0.589 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833011 1192659868 /nfs/dbraw/zinc/65/98/68/1192659868.db2.gz MUFKCDXTTMPNQJ-MSOLQXFVSA-N 2 2 376.501 0.637 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833011 1192659872 /nfs/dbraw/zinc/65/98/72/1192659872.db2.gz MUFKCDXTTMPNQJ-MSOLQXFVSA-N 2 2 376.501 0.637 20 0 GCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418836319 1192660550 /nfs/dbraw/zinc/66/05/50/1192660550.db2.gz RDNOBYXQCSQLEC-MOPGFXCFSA-N 2 2 388.512 0.462 20 0 GCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418836319 1192660553 /nfs/dbraw/zinc/66/05/53/1192660553.db2.gz RDNOBYXQCSQLEC-MOPGFXCFSA-N 2 2 388.512 0.462 20 0 GCADLP C[C@@]1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000418835144 1192660811 /nfs/dbraw/zinc/66/08/11/1192660811.db2.gz PNFMHRSUSBZYHH-GHTZIAJQSA-N 2 2 388.512 0.510 20 0 GCADLP C[C@@]1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000418835144 1192660814 /nfs/dbraw/zinc/66/08/14/1192660814.db2.gz PNFMHRSUSBZYHH-GHTZIAJQSA-N 2 2 388.512 0.510 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418835001 1192660937 /nfs/dbraw/zinc/66/09/37/1192660937.db2.gz PEMXXUUDLUKKTN-IPMKNSEASA-N 2 2 388.512 0.637 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418835001 1192660940 /nfs/dbraw/zinc/66/09/40/1192660940.db2.gz PEMXXUUDLUKKTN-IPMKNSEASA-N 2 2 388.512 0.637 20 0 GCADLP COc1ccc([C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+](C)C)cc1OC ZINC000418836950 1192661285 /nfs/dbraw/zinc/66/12/85/1192661285.db2.gz SFJWMYNSDWIKSE-GFCCVEGCSA-N 2 2 388.415 0.133 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000418915643 1192688234 /nfs/dbraw/zinc/68/82/34/1192688234.db2.gz QBEMMLYSHFCVKY-UHFFFAOYSA-N 2 2 388.512 0.913 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418916261 1192688390 /nfs/dbraw/zinc/68/83/90/1192688390.db2.gz RFOVIXCDZYFOTL-IBGZPJMESA-N 2 2 388.512 0.736 20 0 GCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418916753 1192688855 /nfs/dbraw/zinc/68/88/55/1192688855.db2.gz SIUZKSJBMSALCA-NRFANRHFSA-N 2 2 386.496 0.347 20 0 GCADLP C[C@@]1(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000418919551 1192691986 /nfs/dbraw/zinc/69/19/86/1192691986.db2.gz XOUQWXFSGGCFCZ-OAQYLSRUSA-N 2 2 388.512 0.641 20 0 GCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418932782 1192694818 /nfs/dbraw/zinc/69/48/18/1192694818.db2.gz AJXOZRAWQDYEHI-CWRNSKLLSA-N 2 2 376.526 0.727 20 0 GCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418932782 1192694822 /nfs/dbraw/zinc/69/48/22/1192694822.db2.gz AJXOZRAWQDYEHI-CWRNSKLLSA-N 2 2 376.526 0.727 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418936384 1192695513 /nfs/dbraw/zinc/69/55/13/1192695513.db2.gz DSRAROJYGNBREO-GXTWGEPZSA-N 2 2 380.514 0.452 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418936384 1192695522 /nfs/dbraw/zinc/69/55/22/1192695522.db2.gz DSRAROJYGNBREO-GXTWGEPZSA-N 2 2 380.514 0.452 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418936389 1192695670 /nfs/dbraw/zinc/69/56/70/1192695670.db2.gz DSRAROJYGNBREO-TZMCWYRMSA-N 2 2 380.514 0.452 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418936389 1192695672 /nfs/dbraw/zinc/69/56/72/1192695672.db2.gz DSRAROJYGNBREO-TZMCWYRMSA-N 2 2 380.514 0.452 20 0 GCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)cc(OC)c1 ZINC000418961912 1192702947 /nfs/dbraw/zinc/70/29/47/1192702947.db2.gz KFGQVYQQUADFOU-HOCLYGCPSA-N 2 2 390.484 0.215 20 0 GCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)cc(OC)c1 ZINC000418961912 1192702951 /nfs/dbraw/zinc/70/29/51/1192702951.db2.gz KFGQVYQQUADFOU-HOCLYGCPSA-N 2 2 390.484 0.215 20 0 GCADLP O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000410568923 1192718132 /nfs/dbraw/zinc/71/81/32/1192718132.db2.gz DKMOVWZCDAPBOY-QGZVFWFLSA-N 2 2 378.517 0.254 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000410632890 1192776669 /nfs/dbraw/zinc/77/66/69/1192776669.db2.gz RCMOTGMODWOAPF-KSZLIROESA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000410632890 1192776673 /nfs/dbraw/zinc/77/66/73/1192776673.db2.gz RCMOTGMODWOAPF-KSZLIROESA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410640323 1192783884 /nfs/dbraw/zinc/78/38/84/1192783884.db2.gz ULJSMIDRNIYMMO-SJLPKXTDSA-N 2 2 382.549 0.623 20 0 GCADLP C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410640323 1192783890 /nfs/dbraw/zinc/78/38/90/1192783890.db2.gz ULJSMIDRNIYMMO-SJLPKXTDSA-N 2 2 382.549 0.623 20 0 GCADLP C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410640320 1192784050 /nfs/dbraw/zinc/78/40/50/1192784050.db2.gz ULJSMIDRNIYMMO-AEFFLSMTSA-N 2 2 382.549 0.623 20 0 GCADLP C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410640320 1192784051 /nfs/dbraw/zinc/78/40/51/1192784051.db2.gz ULJSMIDRNIYMMO-AEFFLSMTSA-N 2 2 382.549 0.623 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000419107207 1192788596 /nfs/dbraw/zinc/78/85/96/1192788596.db2.gz DZICXTPWVJZJPK-HNNXBMFYSA-N 2 2 387.484 0.026 20 0 GCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000419108078 1192789857 /nfs/dbraw/zinc/78/98/57/1192789857.db2.gz PPKXASHJGNOFTM-INIZCTEOSA-N 2 2 393.919 0.399 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419109586 1192790044 /nfs/dbraw/zinc/79/00/44/1192790044.db2.gz BAFMYZCTYMUWEU-IPMKNSEASA-N 2 2 388.512 0.413 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCOCC1 ZINC000419109672 1192790938 /nfs/dbraw/zinc/79/09/38/1192790938.db2.gz BEOWMGSKIUMRGY-GOSISDBHSA-N 2 2 380.533 0.450 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419103240 1192791588 /nfs/dbraw/zinc/79/15/88/1192791588.db2.gz JOIGWAXADZPNOR-HNNXBMFYSA-N 2 2 395.935 0.550 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000419124578 1192796369 /nfs/dbraw/zinc/79/63/69/1192796369.db2.gz XUTOHQQTUNZKPN-QZTJIDSGSA-N 2 2 382.549 0.873 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000419111639 1192799581 /nfs/dbraw/zinc/79/95/81/1192799581.db2.gz UESBAUNYACVOAN-OAHLLOKOSA-N 2 2 393.919 0.399 20 0 GCADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000419116381 1192801085 /nfs/dbraw/zinc/80/10/85/1192801085.db2.gz ZOGRVQZJEHNEIM-HNNXBMFYSA-N 2 2 393.919 0.385 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000419117269 1192802056 /nfs/dbraw/zinc/80/20/56/1192802056.db2.gz MCFAMEYOKHTIMK-MSOLQXFVSA-N 2 2 380.533 0.450 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000419131752 1192806748 /nfs/dbraw/zinc/80/67/48/1192806748.db2.gz DFSVMDLUFJTAPW-GOSISDBHSA-N 3 2 399.539 0.449 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000419131752 1192806753 /nfs/dbraw/zinc/80/67/53/1192806753.db2.gz DFSVMDLUFJTAPW-GOSISDBHSA-N 3 2 399.539 0.449 20 0 GCADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410700554 1192844256 /nfs/dbraw/zinc/84/42/56/1192844256.db2.gz SWWRYMABJBJFSE-QYZOEREBSA-N 2 2 392.544 0.642 20 0 GCADLP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894019151 1192892436 /nfs/dbraw/zinc/89/24/36/1192892436.db2.gz SSEVLBLMLOJMSY-GOEBONIOSA-N 2 2 377.489 0.374 20 0 GCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000410935924 1192917102 /nfs/dbraw/zinc/91/71/02/1192917102.db2.gz GUHANLGTHVEQOK-HNNXBMFYSA-N 2 2 377.489 0.350 20 0 GCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000410935924 1192917103 /nfs/dbraw/zinc/91/71/03/1192917103.db2.gz GUHANLGTHVEQOK-HNNXBMFYSA-N 2 2 377.489 0.350 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)[C@H](C)C1 ZINC000410937183 1192917196 /nfs/dbraw/zinc/91/71/96/1192917196.db2.gz JWACOUJNFQBLJG-UZLBHIALSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)[C@H](C)C1 ZINC000410937183 1192917198 /nfs/dbraw/zinc/91/71/98/1192917198.db2.gz JWACOUJNFQBLJG-UZLBHIALSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[C@H](C)C1 ZINC000410937183 1192917200 /nfs/dbraw/zinc/91/72/00/1192917200.db2.gz JWACOUJNFQBLJG-UZLBHIALSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[C@H](C)C1 ZINC000410937183 1192917202 /nfs/dbraw/zinc/91/72/02/1192917202.db2.gz JWACOUJNFQBLJG-UZLBHIALSA-N 2 2 394.516 0.027 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246402847 1192924411 /nfs/dbraw/zinc/92/44/11/1192924411.db2.gz QUJNFDRGFXCZBZ-ZBFHGGJFSA-N 2 2 382.530 0.265 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246402847 1192924414 /nfs/dbraw/zinc/92/44/14/1192924414.db2.gz QUJNFDRGFXCZBZ-ZBFHGGJFSA-N 2 2 382.530 0.265 20 0 GCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[C@H]1[NH3+] ZINC000579713008 1184104591 /nfs/dbraw/zinc/10/45/91/1184104591.db2.gz TXCHAGJTCXOZGQ-GOEBONIOSA-N 2 2 398.504 0.328 20 0 GCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[C@H]1[NH3+] ZINC000579713008 1184104597 /nfs/dbraw/zinc/10/45/97/1184104597.db2.gz TXCHAGJTCXOZGQ-GOEBONIOSA-N 2 2 398.504 0.328 20 0 GCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000579749242 1184129008 /nfs/dbraw/zinc/12/90/08/1184129008.db2.gz NHPVYIYWKLRENX-ROUUACIJSA-N 2 2 392.544 0.833 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000654775792 1184136335 /nfs/dbraw/zinc/13/63/35/1184136335.db2.gz VWPIIQSPTHJTOP-MRXNPFEDSA-N 2 2 386.562 0.333 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000654775792 1184136337 /nfs/dbraw/zinc/13/63/37/1184136337.db2.gz VWPIIQSPTHJTOP-MRXNPFEDSA-N 2 2 386.562 0.333 20 0 GCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000579813493 1184241639 /nfs/dbraw/zinc/24/16/39/1184241639.db2.gz UYBDLPDTSUURNJ-OAHLLOKOSA-N 2 2 380.514 0.698 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867701 1184409072 /nfs/dbraw/zinc/40/90/72/1184409072.db2.gz JUMVGYWZPDFHFI-QAPCUYQASA-N 2 2 381.480 0.907 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867701 1184409075 /nfs/dbraw/zinc/40/90/75/1184409075.db2.gz JUMVGYWZPDFHFI-QAPCUYQASA-N 2 2 381.480 0.907 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867701 1184409079 /nfs/dbraw/zinc/40/90/79/1184409079.db2.gz JUMVGYWZPDFHFI-QAPCUYQASA-N 2 2 381.480 0.907 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867701 1184409083 /nfs/dbraw/zinc/40/90/83/1184409083.db2.gz JUMVGYWZPDFHFI-QAPCUYQASA-N 2 2 381.480 0.907 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419102746 1184518111 /nfs/dbraw/zinc/51/81/11/1184518111.db2.gz JHMKIMFLFIIPGJ-UHFFFAOYSA-N 2 2 381.908 0.256 20 0 GCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448510348 1184521492 /nfs/dbraw/zinc/52/14/92/1184521492.db2.gz OMIKXBPTOWYBCQ-HNNXBMFYSA-N 2 2 380.493 0.000 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419134709 1184528900 /nfs/dbraw/zinc/52/89/00/1184528900.db2.gz KURJYGGXXWMDQG-ZACQAIPSSA-N 2 2 388.516 0.094 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000275186115 1184544627 /nfs/dbraw/zinc/54/46/27/1184544627.db2.gz BXBRDDDLQZLBCM-HXUWFJFHSA-N 2 2 399.539 0.574 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000275357507 1184627747 /nfs/dbraw/zinc/62/77/47/1184627747.db2.gz SXYCZHHRPORDCJ-HNNXBMFYSA-N 2 2 378.473 0.091 20 0 GCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000430407285 1184675627 /nfs/dbraw/zinc/67/56/27/1184675627.db2.gz IGXWFYRMIBUCQZ-RXVVDRJESA-N 2 2 390.528 0.986 20 0 GCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000430407285 1184675634 /nfs/dbraw/zinc/67/56/34/1184675634.db2.gz IGXWFYRMIBUCQZ-RXVVDRJESA-N 2 2 390.528 0.986 20 0 GCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000430407285 1184675637 /nfs/dbraw/zinc/67/56/37/1184675637.db2.gz IGXWFYRMIBUCQZ-RXVVDRJESA-N 2 2 390.528 0.986 20 0 GCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000430407285 1184675641 /nfs/dbraw/zinc/67/56/41/1184675641.db2.gz IGXWFYRMIBUCQZ-RXVVDRJESA-N 2 2 390.528 0.986 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000275491694 1184688456 /nfs/dbraw/zinc/68/84/56/1184688456.db2.gz PRYZAVYQYWSDBK-OAHLLOKOSA-N 2 2 387.488 0.105 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000275491694 1184688468 /nfs/dbraw/zinc/68/84/68/1184688468.db2.gz PRYZAVYQYWSDBK-OAHLLOKOSA-N 2 2 387.488 0.105 20 0 GCADLP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655730044 1184788698 /nfs/dbraw/zinc/78/86/98/1184788698.db2.gz LQALBBYGKUIODF-GOSISDBHSA-N 2 2 397.541 0.642 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)NC[C@@H]1CCCCO1 ZINC000655728057 1184789187 /nfs/dbraw/zinc/78/91/87/1184789187.db2.gz UHKWUFVXDNESII-ZWKOTPCHSA-N 2 2 389.562 0.708 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112484603 1184807519 /nfs/dbraw/zinc/80/75/19/1184807519.db2.gz ZCDJIJYWJAJGSI-DMUMMCEESA-N 2 2 381.517 0.077 20 0 GCADLP C[NH+]1CCN(CC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000121651418 1184814868 /nfs/dbraw/zinc/81/48/68/1184814868.db2.gz WNNZZDNJFYHSPX-UHFFFAOYSA-N 2 2 379.936 0.826 20 0 GCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[N@H+](C)C(C)(C)C3)c2)CC1 ZINC000891007491 1184827232 /nfs/dbraw/zinc/82/72/32/1184827232.db2.gz GPENRKRCWBJBAU-UHFFFAOYSA-N 2 2 387.528 0.925 20 0 GCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[N@@H+](C)C(C)(C)C3)c2)CC1 ZINC000891007491 1184827237 /nfs/dbraw/zinc/82/72/37/1184827237.db2.gz GPENRKRCWBJBAU-UHFFFAOYSA-N 2 2 387.528 0.925 20 0 GCADLP COCC[C@@]1([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCOC1 ZINC000683678804 1184881468 /nfs/dbraw/zinc/88/14/68/1184881468.db2.gz PCDVDPDIWMKHNP-OAQYLSRUSA-N 2 2 391.512 0.920 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000579984975 1184888785 /nfs/dbraw/zinc/88/87/85/1184888785.db2.gz FJZZMWBZYWUFNQ-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000579984975 1184888794 /nfs/dbraw/zinc/88/87/94/1184888794.db2.gz FJZZMWBZYWUFNQ-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCOCC1 ZINC000579984755 1184889011 /nfs/dbraw/zinc/88/90/11/1184889011.db2.gz ORLIIKAWDQQBNG-IBGZPJMESA-N 2 2 394.560 0.936 20 0 GCADLP COC(=O)c1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1C ZINC000275670526 1184904329 /nfs/dbraw/zinc/90/43/29/1184904329.db2.gz JIGFDKCIRWSSOP-UHFFFAOYSA-N 2 2 393.488 0.235 20 0 GCADLP COC(=O)c1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1C ZINC000275670526 1184904334 /nfs/dbraw/zinc/90/43/34/1184904334.db2.gz JIGFDKCIRWSSOP-UHFFFAOYSA-N 2 2 393.488 0.235 20 0 GCADLP COC(=O)c1sccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000275675727 1184908974 /nfs/dbraw/zinc/90/89/74/1184908974.db2.gz KEWZFZLCTOIDGJ-UHFFFAOYSA-N 2 2 396.513 0.958 20 0 GCADLP COC(=O)c1sccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275675727 1184908978 /nfs/dbraw/zinc/90/89/78/1184908978.db2.gz KEWZFZLCTOIDGJ-UHFFFAOYSA-N 2 2 396.513 0.958 20 0 GCADLP O=C(C[NH+]1CCC(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1)Nc1ccccc1 ZINC000188706476 1184940952 /nfs/dbraw/zinc/94/09/52/1184940952.db2.gz WYFAHVXBKGYHSJ-UHFFFAOYSA-N 2 2 382.468 0.888 20 0 GCADLP COc1ncc(C)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000275705004 1184945758 /nfs/dbraw/zinc/94/57/58/1184945758.db2.gz OWYURYHOBBHAOQ-UHFFFAOYSA-N 2 2 377.489 0.822 20 0 GCADLP COc1ncc(C)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275705004 1184945764 /nfs/dbraw/zinc/94/57/64/1184945764.db2.gz OWYURYHOBBHAOQ-UHFFFAOYSA-N 2 2 377.489 0.822 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656086603 1185023161 /nfs/dbraw/zinc/02/31/61/1185023161.db2.gz DIMSLYJDHGIBMW-ZACQAIPSSA-N 2 2 382.549 0.933 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656086603 1185023165 /nfs/dbraw/zinc/02/31/65/1185023165.db2.gz DIMSLYJDHGIBMW-ZACQAIPSSA-N 2 2 382.549 0.933 20 0 GCADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCC[NH+]2CCCOCC2)c1 ZINC000275799742 1185075688 /nfs/dbraw/zinc/07/56/88/1185075688.db2.gz IFQVDPJNCCNITJ-GOSISDBHSA-N 2 2 389.500 0.980 20 0 GCADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCC[NH+]2CCCOCC2)c1 ZINC000275799742 1185075691 /nfs/dbraw/zinc/07/56/91/1185075691.db2.gz IFQVDPJNCCNITJ-GOSISDBHSA-N 2 2 389.500 0.980 20 0 GCADLP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000275799742 1185075696 /nfs/dbraw/zinc/07/56/96/1185075696.db2.gz IFQVDPJNCCNITJ-GOSISDBHSA-N 2 2 389.500 0.980 20 0 GCADLP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000275799742 1185075702 /nfs/dbraw/zinc/07/57/02/1185075702.db2.gz IFQVDPJNCCNITJ-GOSISDBHSA-N 2 2 389.500 0.980 20 0 GCADLP CN(Cc1ncnn1CC(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683834747 1185116891 /nfs/dbraw/zinc/11/68/91/1185116891.db2.gz NBRWYODROSSHKV-ZDUSSCGKSA-N 2 2 385.463 0.853 20 0 GCADLP CN(Cc1ncnn1CC(F)F)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683834747 1185116898 /nfs/dbraw/zinc/11/68/98/1185116898.db2.gz NBRWYODROSSHKV-ZDUSSCGKSA-N 2 2 385.463 0.853 20 0 GCADLP NC(=O)C1CCN(c2cc(N(Cc3ccccc3)C3(C[NH3+])COC3)nc[nH+]2)CC1 ZINC001167367767 1185119400 /nfs/dbraw/zinc/11/94/00/1185119400.db2.gz AIFDKFXWHTZDEA-UHFFFAOYSA-N 2 2 396.495 0.913 20 0 GCADLP O=C(CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000580309300 1185151248 /nfs/dbraw/zinc/15/12/48/1185151248.db2.gz QBLJIXBRIOBSBX-SFHVURJKSA-N 2 2 391.497 0.066 20 0 GCADLP O=C(C[N@H+]1CCC[C@H](OCCO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000548077156 1185162197 /nfs/dbraw/zinc/16/21/97/1185162197.db2.gz GTYKNBDEPZOCQN-SFHVURJKSA-N 2 2 383.533 0.611 20 0 GCADLP O=C(C[N@@H+]1CCC[C@H](OCCO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000548077156 1185162210 /nfs/dbraw/zinc/16/22/10/1185162210.db2.gz GTYKNBDEPZOCQN-SFHVURJKSA-N 2 2 383.533 0.611 20 0 GCADLP CC(C)Nc1nc(NCCC[N@@H+]2CCc3ccccc3C2)nc(NCCO)[nH+]1 ZINC000580342685 1185179280 /nfs/dbraw/zinc/17/92/80/1185179280.db2.gz IDPKRBXSBAACJC-UHFFFAOYSA-N 2 2 385.516 0.222 20 0 GCADLP CC(C)Nc1nc(NCCC[N@H+]2CCc3ccccc3C2)nc(NCCO)[nH+]1 ZINC000580342685 1185179286 /nfs/dbraw/zinc/17/92/86/1185179286.db2.gz IDPKRBXSBAACJC-UHFFFAOYSA-N 2 2 385.516 0.222 20 0 GCADLP CN1C(=O)Cc2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)ccc21 ZINC000684025868 1185305739 /nfs/dbraw/zinc/30/57/39/1185305739.db2.gz MQAHBTZNUQKVKS-MRXNPFEDSA-N 2 2 399.495 0.429 20 0 GCADLP CN1C(=O)Cc2cc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)ccc21 ZINC000684025868 1185305746 /nfs/dbraw/zinc/30/57/46/1185305746.db2.gz MQAHBTZNUQKVKS-MRXNPFEDSA-N 2 2 399.495 0.429 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001104314203 1185319772 /nfs/dbraw/zinc/31/97/72/1185319772.db2.gz JMMJZTNIEUXBDI-KLHDSHLOSA-N 2 2 387.484 0.736 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001104314203 1185319779 /nfs/dbraw/zinc/31/97/79/1185319779.db2.gz JMMJZTNIEUXBDI-KLHDSHLOSA-N 2 2 387.484 0.736 20 0 GCADLP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104315608 1185325681 /nfs/dbraw/zinc/32/56/81/1185325681.db2.gz WYOFTHGCJPPBER-AAVRWANBSA-N 2 2 376.461 0.043 20 0 GCADLP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104315608 1185325691 /nfs/dbraw/zinc/32/56/91/1185325691.db2.gz WYOFTHGCJPPBER-AAVRWANBSA-N 2 2 376.461 0.043 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000610461023 1185342310 /nfs/dbraw/zinc/34/23/10/1185342310.db2.gz URRKGTGDQGZPDW-DOTOQJQBSA-N 2 2 396.532 0.907 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000610461023 1185342313 /nfs/dbraw/zinc/34/23/13/1185342313.db2.gz URRKGTGDQGZPDW-DOTOQJQBSA-N 2 2 396.532 0.907 20 0 GCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1 ZINC000656299816 1185364863 /nfs/dbraw/zinc/36/48/63/1185364863.db2.gz CJDPCKCBSXWCSS-SFHVURJKSA-N 2 2 395.592 0.709 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000580834647 1185391675 /nfs/dbraw/zinc/39/16/75/1185391675.db2.gz OOLBNMJSKALBLR-XKQJLSEDSA-N 2 2 380.514 0.935 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000580834647 1185391679 /nfs/dbraw/zinc/39/16/79/1185391679.db2.gz OOLBNMJSKALBLR-XKQJLSEDSA-N 2 2 380.514 0.935 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000656315955 1185400673 /nfs/dbraw/zinc/40/06/73/1185400673.db2.gz NRIJLPWRGCTUAC-YTQUADARSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000656315955 1185400678 /nfs/dbraw/zinc/40/06/78/1185400678.db2.gz NRIJLPWRGCTUAC-YTQUADARSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315955 1185400679 /nfs/dbraw/zinc/40/06/79/1185400679.db2.gz NRIJLPWRGCTUAC-YTQUADARSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315955 1185400685 /nfs/dbraw/zinc/40/06/85/1185400685.db2.gz NRIJLPWRGCTUAC-YTQUADARSA-N 3 2 391.560 0.404 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337538 1185434048 /nfs/dbraw/zinc/43/40/48/1185434048.db2.gz UNMGXNQVTGSWPL-NXOAAHMSSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337538 1185434055 /nfs/dbraw/zinc/43/40/55/1185434055.db2.gz UNMGXNQVTGSWPL-NXOAAHMSSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337538 1185434061 /nfs/dbraw/zinc/43/40/61/1185434061.db2.gz UNMGXNQVTGSWPL-NXOAAHMSSA-N 2 2 382.549 0.837 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656353318 1185447687 /nfs/dbraw/zinc/44/76/87/1185447687.db2.gz AFDIUXFAIGMSKO-QZTJIDSGSA-N 2 2 380.533 0.689 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656353318 1185447690 /nfs/dbraw/zinc/44/76/90/1185447690.db2.gz AFDIUXFAIGMSKO-QZTJIDSGSA-N 2 2 380.533 0.689 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000656367257 1185477441 /nfs/dbraw/zinc/47/74/41/1185477441.db2.gz MPYYSUKSDAHBHZ-APWZRJJASA-N 2 2 386.500 0.881 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000656367257 1185477444 /nfs/dbraw/zinc/47/74/44/1185477444.db2.gz MPYYSUKSDAHBHZ-APWZRJJASA-N 2 2 386.500 0.881 20 0 GCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000656366482 1185479377 /nfs/dbraw/zinc/47/93/77/1185479377.db2.gz JKKDYGKMKDXUAQ-ZWKOTPCHSA-N 2 2 396.532 0.108 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419396039 1185501823 /nfs/dbraw/zinc/50/18/23/1185501823.db2.gz VJANOFBIHWHETJ-CVEARBPZSA-N 2 2 382.892 0.506 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419396039 1185501827 /nfs/dbraw/zinc/50/18/27/1185501827.db2.gz VJANOFBIHWHETJ-CVEARBPZSA-N 2 2 382.892 0.506 20 0 GCADLP CN(C(=O)CC1CC[NH2+]CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152469 1185503645 /nfs/dbraw/zinc/50/36/45/1185503645.db2.gz MPILBBKXTCAOPG-UHFFFAOYSA-N 3 2 379.549 0.073 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC000581128169 1185507819 /nfs/dbraw/zinc/50/78/19/1185507819.db2.gz HEVZUUPOFNDZBS-MRXNPFEDSA-N 2 2 379.505 0.335 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC000581128169 1185507826 /nfs/dbraw/zinc/50/78/26/1185507826.db2.gz HEVZUUPOFNDZBS-MRXNPFEDSA-N 2 2 379.505 0.335 20 0 GCADLP C[NH2+][C@@H](C)C(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000581142608 1185515152 /nfs/dbraw/zinc/51/51/52/1185515152.db2.gz ONDXHZRHYFZNQZ-INIZCTEOSA-N 2 2 376.501 0.496 20 0 GCADLP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)NCCOCC[NH+](C)C)CC2)no1 ZINC000471642685 1185554272 /nfs/dbraw/zinc/55/42/72/1185554272.db2.gz MQIXGKCIHHOAFX-MRXNPFEDSA-N 2 2 382.509 0.952 20 0 GCADLP Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)NCCOCC[NH+](C)C)CC2)no1 ZINC000471642685 1185554274 /nfs/dbraw/zinc/55/42/74/1185554274.db2.gz MQIXGKCIHHOAFX-MRXNPFEDSA-N 2 2 382.509 0.952 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000581277190 1185568945 /nfs/dbraw/zinc/56/89/45/1185568945.db2.gz GVNJLJVXEUEQMN-CQSZACIVSA-N 2 2 386.456 0.917 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000581313515 1185585909 /nfs/dbraw/zinc/58/59/09/1185585909.db2.gz IRMHWWRZWMJFCU-XIRDDKMYSA-N 3 2 398.515 0.071 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000581313515 1185585916 /nfs/dbraw/zinc/58/59/16/1185585916.db2.gz IRMHWWRZWMJFCU-XIRDDKMYSA-N 3 2 398.515 0.071 20 0 GCADLP COc1ccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1S(=O)(=O)N(C)C ZINC000430554528 1185586258 /nfs/dbraw/zinc/58/62/58/1185586258.db2.gz NMIITIPIGQJQSL-KRWDZBQOSA-N 2 2 386.518 0.847 20 0 GCADLP CN(C[C@@H]1CCCCO1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000581327300 1185597906 /nfs/dbraw/zinc/59/79/06/1185597906.db2.gz UEYQMASRAMJNHU-SFHVURJKSA-N 2 2 380.533 0.689 20 0 GCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000430562673 1185606037 /nfs/dbraw/zinc/60/60/37/1185606037.db2.gz SBLMJXUJPNWZCS-SFHVURJKSA-N 2 2 396.557 0.825 20 0 GCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000430562673 1185606042 /nfs/dbraw/zinc/60/60/42/1185606042.db2.gz SBLMJXUJPNWZCS-SFHVURJKSA-N 2 2 396.557 0.825 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000430568092 1185616968 /nfs/dbraw/zinc/61/69/68/1185616968.db2.gz GZSBIDGGODECRT-RDBSUJKOSA-N 2 2 380.514 0.671 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000430568092 1185616974 /nfs/dbraw/zinc/61/69/74/1185616974.db2.gz GZSBIDGGODECRT-RDBSUJKOSA-N 2 2 380.514 0.671 20 0 GCADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000430582185 1185641892 /nfs/dbraw/zinc/64/18/92/1185641892.db2.gz JNZOETFZYGZJJK-SFHVURJKSA-N 2 2 396.513 0.363 20 0 GCADLP [NH3+]CCCOC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000430586714 1185645441 /nfs/dbraw/zinc/64/54/41/1185645441.db2.gz XFLJRWPBBHLTHM-UHFFFAOYSA-N 3 2 375.517 0.950 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276324656 1185738102 /nfs/dbraw/zinc/73/81/02/1185738102.db2.gz XZOYFVXSPVVNLT-LJQANCHMSA-N 2 2 378.517 0.625 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430609743 1185751842 /nfs/dbraw/zinc/75/18/42/1185751842.db2.gz ISKMKPJUSMVJID-KKUMJFAQSA-N 2 2 382.530 0.831 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430609743 1185751844 /nfs/dbraw/zinc/75/18/44/1185751844.db2.gz ISKMKPJUSMVJID-KKUMJFAQSA-N 2 2 382.530 0.831 20 0 GCADLP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000891531167 1185907236 /nfs/dbraw/zinc/90/72/36/1185907236.db2.gz BXWSXVUFOMXVOQ-UHFFFAOYSA-N 2 2 393.513 0.917 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)CC1 ZINC000891558982 1185918428 /nfs/dbraw/zinc/91/84/28/1185918428.db2.gz CKJRYCSOHYJYTF-VNHYZAJKSA-N 3 2 377.455 0.934 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)CC1 ZINC000891558982 1185918430 /nfs/dbraw/zinc/91/84/30/1185918430.db2.gz CKJRYCSOHYJYTF-VNHYZAJKSA-N 3 2 377.455 0.934 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[NH+]3CCCOCC3)CC2)CC1 ZINC000581878342 1185926530 /nfs/dbraw/zinc/92/65/30/1185926530.db2.gz HTVLILUBEUHOGT-UHFFFAOYSA-N 3 2 381.565 0.910 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[NH+]3CCCOCC3)CC2)CC1 ZINC000581878342 1185926534 /nfs/dbraw/zinc/92/65/34/1185926534.db2.gz HTVLILUBEUHOGT-UHFFFAOYSA-N 3 2 381.565 0.910 20 0 GCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000581878342 1185926537 /nfs/dbraw/zinc/92/65/37/1185926537.db2.gz HTVLILUBEUHOGT-UHFFFAOYSA-N 3 2 381.565 0.910 20 0 GCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)NCC[N@H+]3CCCOCC3)CC2)CC1 ZINC000581878342 1185926539 /nfs/dbraw/zinc/92/65/39/1185926539.db2.gz HTVLILUBEUHOGT-UHFFFAOYSA-N 3 2 381.565 0.910 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H](C)C1 ZINC000581911575 1185971332 /nfs/dbraw/zinc/97/13/32/1185971332.db2.gz ASCNVXWMKYADNB-NVXWUHKLSA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H](C)C1 ZINC000581911575 1185971334 /nfs/dbraw/zinc/97/13/34/1185971334.db2.gz ASCNVXWMKYADNB-NVXWUHKLSA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H](C)C1 ZINC000581911575 1185971338 /nfs/dbraw/zinc/97/13/38/1185971338.db2.gz ASCNVXWMKYADNB-NVXWUHKLSA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@H](C)C1 ZINC000581911575 1185971342 /nfs/dbraw/zinc/97/13/42/1185971342.db2.gz ASCNVXWMKYADNB-NVXWUHKLSA-N 2 2 394.516 0.215 20 0 GCADLP Cc1nc(N2CCN(c3[nH]cc[nH+]3)CC2)cc(N2CCN(c3[nH]cc[nH+]3)CC2)[nH+]1 ZINC000581976442 1186020299 /nfs/dbraw/zinc/02/02/99/1186020299.db2.gz JWBFIVAUBCRCMS-UHFFFAOYSA-N 3 2 394.487 0.884 20 0 GCADLP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cn2)CC1 ZINC000430865657 1186043138 /nfs/dbraw/zinc/04/31/38/1186043138.db2.gz OISDLCOSLAXAIG-SFHVURJKSA-N 2 2 382.468 0.310 20 0 GCADLP C[C@@H](CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733053 1186048558 /nfs/dbraw/zinc/04/85/58/1186048558.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 3 2 377.577 0.258 20 0 GCADLP C[C@@H](CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733053 1186048565 /nfs/dbraw/zinc/04/85/65/1186048565.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 3 2 377.577 0.258 20 0 GCADLP C[C@@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733053 1186048578 /nfs/dbraw/zinc/04/85/78/1186048578.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 3 2 377.577 0.258 20 0 GCADLP C[C@@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733053 1186048585 /nfs/dbraw/zinc/04/85/85/1186048585.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 3 2 377.577 0.258 20 0 GCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000430924938 1186055367 /nfs/dbraw/zinc/05/53/67/1186055367.db2.gz BTJOIPNEAQRVKQ-OAHLLOKOSA-N 2 2 398.504 0.200 20 0 GCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000430924938 1186055370 /nfs/dbraw/zinc/05/53/70/1186055370.db2.gz BTJOIPNEAQRVKQ-OAHLLOKOSA-N 2 2 398.504 0.200 20 0 GCADLP C[C@H](Cc1cccnc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000933748785 1186059463 /nfs/dbraw/zinc/05/94/63/1186059463.db2.gz UDKRDCIOBQPJLX-VQIMIIECSA-N 2 2 387.528 0.756 20 0 GCADLP C[C@H](Cc1cccnc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000933748785 1186059467 /nfs/dbraw/zinc/05/94/67/1186059467.db2.gz UDKRDCIOBQPJLX-VQIMIIECSA-N 2 2 387.528 0.756 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC[C@H]1[NH3+] ZINC000430963910 1186071822 /nfs/dbraw/zinc/07/18/22/1186071822.db2.gz XBFIMOUGWBPIHO-RHSMWYFYSA-N 2 2 398.504 0.328 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC[C@H]1[NH3+] ZINC000430963910 1186071828 /nfs/dbraw/zinc/07/18/28/1186071828.db2.gz XBFIMOUGWBPIHO-RHSMWYFYSA-N 2 2 398.504 0.328 20 0 GCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000431018816 1186104275 /nfs/dbraw/zinc/10/42/75/1186104275.db2.gz YCDNTBYFAKIVEI-YLJYHZDGSA-N 2 2 390.528 0.948 20 0 GCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000431018816 1186104279 /nfs/dbraw/zinc/10/42/79/1186104279.db2.gz YCDNTBYFAKIVEI-YLJYHZDGSA-N 2 2 390.528 0.948 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[NH2+]C[C@@H]1CCCO1)CC2 ZINC000431057227 1186114449 /nfs/dbraw/zinc/11/44/49/1186114449.db2.gz NSEAEXHEODPOEF-KRWDZBQOSA-N 2 2 377.485 0.947 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[NH2+]C[C@@H]1CCCO1)CC2 ZINC000431057227 1186114454 /nfs/dbraw/zinc/11/44/54/1186114454.db2.gz NSEAEXHEODPOEF-KRWDZBQOSA-N 2 2 377.485 0.947 20 0 GCADLP CCC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CC[NH2+]CC1 ZINC000431072195 1186119560 /nfs/dbraw/zinc/11/95/60/1186119560.db2.gz XYGCGSTWPPSUAZ-UHFFFAOYSA-N 2 2 380.514 0.687 20 0 GCADLP CCC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CC[NH2+]CC1 ZINC000431072195 1186119562 /nfs/dbraw/zinc/11/95/62/1186119562.db2.gz XYGCGSTWPPSUAZ-UHFFFAOYSA-N 2 2 380.514 0.687 20 0 GCADLP COC(=O)c1ccc(CN(CCNC(=O)C[NH+](C)C)C(=O)C[NH+](C)C)cc1 ZINC000276943886 1186168575 /nfs/dbraw/zinc/16/85/75/1186168575.db2.gz PVLHOKMHWBWSBQ-UHFFFAOYSA-N 2 2 378.473 0.041 20 0 GCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093175070 1186172360 /nfs/dbraw/zinc/17/23/60/1186172360.db2.gz WQRZYORJUBZGGG-UHFFFAOYSA-N 3 2 381.565 0.176 20 0 GCADLP CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849641 1186255500 /nfs/dbraw/zinc/25/55/00/1186255500.db2.gz LAVZCPYZNLHPSV-MSOLQXFVSA-N 2 2 395.548 0.034 20 0 GCADLP CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849641 1186255506 /nfs/dbraw/zinc/25/55/06/1186255506.db2.gz LAVZCPYZNLHPSV-MSOLQXFVSA-N 2 2 395.548 0.034 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCN3CC[NH2+]CC3)C2)c1 ZINC000891973106 1186270974 /nfs/dbraw/zinc/27/09/74/1186270974.db2.gz PDQXKBKEYQGXPE-LJQANCHMSA-N 2 2 375.517 0.400 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCCN3CC[NH2+]CC3)C2)c1 ZINC000891973106 1186270977 /nfs/dbraw/zinc/27/09/77/1186270977.db2.gz PDQXKBKEYQGXPE-LJQANCHMSA-N 2 2 375.517 0.400 20 0 GCADLP Cc1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cccc1S(N)(=O)=O ZINC000151598899 1186292489 /nfs/dbraw/zinc/29/24/89/1186292489.db2.gz QFBQJTMDRMGPEB-UHFFFAOYSA-N 2 2 394.541 0.931 20 0 GCADLP C[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000511045000 1186353859 /nfs/dbraw/zinc/35/38/59/1186353859.db2.gz JWLPXXPEGDSNOH-GOSISDBHSA-N 2 2 393.576 0.463 20 0 GCADLP C[C@@H]1CSCCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000934303343 1186425153 /nfs/dbraw/zinc/42/51/53/1186425153.db2.gz SSJMXBKSMIAAMP-CQSZACIVSA-N 2 2 389.529 0.839 20 0 GCADLP C[C@@H]1CSCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000934303343 1186425156 /nfs/dbraw/zinc/42/51/56/1186425156.db2.gz SSJMXBKSMIAAMP-CQSZACIVSA-N 2 2 389.529 0.839 20 0 GCADLP Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(N(C)C)[nH+]1 ZINC000785119571 1186440867 /nfs/dbraw/zinc/44/08/67/1186440867.db2.gz QCTYDTQTAHXICX-SJORKVTESA-N 2 2 389.500 0.889 20 0 GCADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])CC(=O)OC)cc2)CC1 ZINC000582300047 1186490405 /nfs/dbraw/zinc/49/04/05/1186490405.db2.gz YFDSOZKHLITJLK-INIZCTEOSA-N 2 2 376.457 0.222 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000045409781 1186516495 /nfs/dbraw/zinc/51/64/95/1186516495.db2.gz FOXHROGNBCCOMN-UHFFFAOYSA-N 2 2 384.488 0.822 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[NH2+]C[C@@](C)(F)C3)ccn2)CC1 ZINC000582408238 1186523832 /nfs/dbraw/zinc/52/38/32/1186523832.db2.gz NNQASWWXHQAHND-GOSISDBHSA-N 2 2 378.452 0.635 20 0 GCADLP O[C@H](C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)Cn1cccn1 ZINC000582415846 1186525183 /nfs/dbraw/zinc/52/51/83/1186525183.db2.gz MBJYZNKIAHHFJY-IAGOWNOFSA-N 2 2 387.488 0.129 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000582619966 1186587915 /nfs/dbraw/zinc/58/79/15/1186587915.db2.gz MDGOPSVECKZIIK-RYRKJORJSA-N 2 2 379.549 0.116 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000582619966 1186587920 /nfs/dbraw/zinc/58/79/20/1186587920.db2.gz MDGOPSVECKZIIK-RYRKJORJSA-N 2 2 379.549 0.116 20 0 GCADLP CN(C(=O)CCn1cccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000073437637 1186599139 /nfs/dbraw/zinc/59/91/39/1186599139.db2.gz LMCYLXFFNUKGAS-UHFFFAOYSA-N 2 2 375.517 0.575 20 0 GCADLP CC[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000582847699 1186711011 /nfs/dbraw/zinc/71/10/11/1186711011.db2.gz BQUSBLKBXZJCAN-FGTMMUONSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000582847699 1186711014 /nfs/dbraw/zinc/71/10/14/1186711014.db2.gz BQUSBLKBXZJCAN-FGTMMUONSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000650662170 1186713032 /nfs/dbraw/zinc/71/30/32/1186713032.db2.gz BICVVVXYIDGCQZ-YLJYHZDGSA-N 2 2 387.528 0.658 20 0 GCADLP C[C@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000650662170 1186713037 /nfs/dbraw/zinc/71/30/37/1186713037.db2.gz BICVVVXYIDGCQZ-YLJYHZDGSA-N 2 2 387.528 0.658 20 0 GCADLP CN(CCC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000582975955 1186740229 /nfs/dbraw/zinc/74/02/29/1186740229.db2.gz MLLNWPHTPQZDIK-JKSUJKDBSA-N 2 2 382.892 0.635 20 0 GCADLP CN(CCC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000582975955 1186740231 /nfs/dbraw/zinc/74/02/31/1186740231.db2.gz MLLNWPHTPQZDIK-JKSUJKDBSA-N 2 2 382.892 0.635 20 0 GCADLP CN(CCC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000582975954 1186740512 /nfs/dbraw/zinc/74/05/12/1186740512.db2.gz MLLNWPHTPQZDIK-HZPDHXFCSA-N 2 2 382.892 0.635 20 0 GCADLP CN(CCC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000582975954 1186740515 /nfs/dbraw/zinc/74/05/15/1186740515.db2.gz MLLNWPHTPQZDIK-HZPDHXFCSA-N 2 2 382.892 0.635 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000582982970 1186743111 /nfs/dbraw/zinc/74/31/11/1186743111.db2.gz RIIPZRSXELKGOK-MSOLQXFVSA-N 2 2 380.533 0.546 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000583010464 1186746842 /nfs/dbraw/zinc/74/68/42/1186746842.db2.gz BOBAHCLNMSCXFA-FQEVSTJZSA-N 2 2 380.533 0.500 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000583010464 1186746845 /nfs/dbraw/zinc/74/68/45/1186746845.db2.gz BOBAHCLNMSCXFA-FQEVSTJZSA-N 2 2 380.533 0.500 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000583010464 1186746848 /nfs/dbraw/zinc/74/68/48/1186746848.db2.gz BOBAHCLNMSCXFA-FQEVSTJZSA-N 2 2 380.533 0.500 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000583010464 1186746849 /nfs/dbraw/zinc/74/68/49/1186746849.db2.gz BOBAHCLNMSCXFA-FQEVSTJZSA-N 2 2 380.533 0.500 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000685068369 1186754506 /nfs/dbraw/zinc/75/45/06/1186754506.db2.gz PLMNTOLDVQSFCR-GOEBONIOSA-N 2 2 393.557 0.990 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000685068369 1186754509 /nfs/dbraw/zinc/75/45/09/1186754509.db2.gz PLMNTOLDVQSFCR-GOEBONIOSA-N 2 2 393.557 0.990 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000685068368 1186754924 /nfs/dbraw/zinc/75/49/24/1186754924.db2.gz PLMNTOLDVQSFCR-GDBMZVCRSA-N 2 2 393.557 0.990 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000685068368 1186754927 /nfs/dbraw/zinc/75/49/27/1186754927.db2.gz PLMNTOLDVQSFCR-GDBMZVCRSA-N 2 2 393.557 0.990 20 0 GCADLP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cn1 ZINC000126106070 1186755507 /nfs/dbraw/zinc/75/55/07/1186755507.db2.gz BFDHTJOCTKZXBM-UHFFFAOYSA-N 2 2 390.513 0.619 20 0 GCADLP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cn1 ZINC000126106070 1186755511 /nfs/dbraw/zinc/75/55/11/1186755511.db2.gz BFDHTJOCTKZXBM-UHFFFAOYSA-N 2 2 390.513 0.619 20 0 GCADLP CC[NH+]1CCC(CNc2nc(NC)nc(NCC3CC[NH+](CC)CC3)[nH+]2)CC1 ZINC000564703346 1186757698 /nfs/dbraw/zinc/75/76/98/1186757698.db2.gz LPNSEIAMLCDWAI-UHFFFAOYSA-N 3 2 390.580 0.467 20 0 GCADLP CC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000583138031 1186779025 /nfs/dbraw/zinc/77/90/25/1186779025.db2.gz GPHVDEDBHKYDHR-ZWKOTPCHSA-N 2 2 392.544 0.548 20 0 GCADLP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C[NH+]1CCOCC1 ZINC000458421004 1186790476 /nfs/dbraw/zinc/79/04/76/1186790476.db2.gz PXGNBNCWEZYFCG-QGZVFWFLSA-N 2 2 384.521 0.135 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657744396 1186803305 /nfs/dbraw/zinc/80/33/05/1186803305.db2.gz IWNJSJNFUGTBHT-QGZVFWFLSA-N 2 2 377.489 0.363 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000657745200 1186806729 /nfs/dbraw/zinc/80/67/29/1186806729.db2.gz PXBGZKOGPSZDEZ-MSOLQXFVSA-N 2 2 378.517 0.396 20 0 GCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657745155 1186808437 /nfs/dbraw/zinc/80/84/37/1186808437.db2.gz OILKBCGOAQKROL-MOPGFXCFSA-N 2 2 392.544 0.500 20 0 GCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657745155 1186808441 /nfs/dbraw/zinc/80/84/41/1186808441.db2.gz OILKBCGOAQKROL-MOPGFXCFSA-N 2 2 392.544 0.500 20 0 GCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657745870 1186811886 /nfs/dbraw/zinc/81/18/86/1186811886.db2.gz SRLKTUVXVJHXKG-QZTJIDSGSA-N 2 2 380.533 0.642 20 0 GCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657745870 1186811891 /nfs/dbraw/zinc/81/18/91/1186811891.db2.gz SRLKTUVXVJHXKG-QZTJIDSGSA-N 2 2 380.533 0.642 20 0 GCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000155221543 1186812286 /nfs/dbraw/zinc/81/22/86/1186812286.db2.gz MFHSMGWHWKMZMK-HNNXBMFYSA-N 2 2 387.488 0.598 20 0 GCADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[NH2+]CC3([NH3+])CCC3)CC2)cc1 ZINC000583322691 1186825077 /nfs/dbraw/zinc/82/50/77/1186825077.db2.gz UAKBJPZSTYNUEC-MRXNPFEDSA-N 2 2 394.541 0.687 20 0 GCADLP CN(CCC[NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000583334095 1186829060 /nfs/dbraw/zinc/82/90/60/1186829060.db2.gz YPRDHPIWMPLZBQ-HNNXBMFYSA-N 2 2 377.493 0.272 20 0 GCADLP CN(CCC[NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000583334095 1186829063 /nfs/dbraw/zinc/82/90/63/1186829063.db2.gz YPRDHPIWMPLZBQ-HNNXBMFYSA-N 2 2 377.493 0.272 20 0 GCADLP CCCCN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000583381965 1186839607 /nfs/dbraw/zinc/83/96/07/1186839607.db2.gz YMUAFSJGGDFTKN-UONOGXRCSA-N 2 2 394.520 0.743 20 0 GCADLP CCCCN(C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000583381965 1186839613 /nfs/dbraw/zinc/83/96/13/1186839613.db2.gz YMUAFSJGGDFTKN-UONOGXRCSA-N 2 2 394.520 0.743 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000536018373 1186850316 /nfs/dbraw/zinc/85/03/16/1186850316.db2.gz OUSQIOGXVMLEDW-SFHVURJKSA-N 2 2 387.532 0.868 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000245884044 1186900048 /nfs/dbraw/zinc/90/00/48/1186900048.db2.gz OIDYOHRWQLARJO-SJORKVTESA-N 2 2 390.532 0.430 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000245884044 1186900051 /nfs/dbraw/zinc/90/00/51/1186900051.db2.gz OIDYOHRWQLARJO-SJORKVTESA-N 2 2 390.532 0.430 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000583685660 1186918705 /nfs/dbraw/zinc/91/87/05/1186918705.db2.gz OLUHTVGCZRAAFZ-UHFFFAOYSA-N 3 2 395.592 0.709 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000583685660 1186918708 /nfs/dbraw/zinc/91/87/08/1186918708.db2.gz OLUHTVGCZRAAFZ-UHFFFAOYSA-N 3 2 395.592 0.709 20 0 GCADLP CO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685183755 1186919710 /nfs/dbraw/zinc/91/97/10/1186919710.db2.gz FNTVCCLLZXBVKK-GVDBMIGSSA-N 2 2 380.533 0.543 20 0 GCADLP CO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685183755 1186919712 /nfs/dbraw/zinc/91/97/12/1186919712.db2.gz FNTVCCLLZXBVKK-GVDBMIGSSA-N 2 2 380.533 0.543 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000583749251 1186931220 /nfs/dbraw/zinc/93/12/20/1186931220.db2.gz AIHMYUJMAZAWFK-MSOLQXFVSA-N 2 2 384.484 0.661 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000583749251 1186931222 /nfs/dbraw/zinc/93/12/22/1186931222.db2.gz AIHMYUJMAZAWFK-MSOLQXFVSA-N 2 2 384.484 0.661 20 0 GCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000458719152 1186958515 /nfs/dbraw/zinc/95/85/15/1186958515.db2.gz DJKZRQGRNCDYLZ-UHFFFAOYSA-N 2 2 382.597 0.728 20 0 GCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000458719152 1186958516 /nfs/dbraw/zinc/95/85/16/1186958516.db2.gz DJKZRQGRNCDYLZ-UHFFFAOYSA-N 2 2 382.597 0.728 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000583920151 1186961530 /nfs/dbraw/zinc/96/15/30/1186961530.db2.gz KMCLHPQGHFIOTM-UHFFFAOYSA-N 2 2 394.560 0.938 20 0 GCADLP COC(=O)[C@@]1(NC[C@@H](O)C[NH+]2CCOCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611795885 1186970114 /nfs/dbraw/zinc/97/01/14/1186970114.db2.gz MNLJPVVVWZHYPL-TZIWHRDSSA-N 2 2 391.512 0.477 20 0 GCADLP COC(=O)[C@@]1(NC[C@@H](O)C[NH+]2CCOCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611795885 1186970115 /nfs/dbraw/zinc/97/01/15/1186970115.db2.gz MNLJPVVVWZHYPL-TZIWHRDSSA-N 2 2 391.512 0.477 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000584073839 1186993823 /nfs/dbraw/zinc/99/38/23/1186993823.db2.gz QAUMFEKCHRMUHQ-DLBZAZTESA-N 2 2 396.532 0.463 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000584073839 1186993824 /nfs/dbraw/zinc/99/38/24/1186993824.db2.gz QAUMFEKCHRMUHQ-DLBZAZTESA-N 2 2 396.532 0.463 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000584073842 1186994010 /nfs/dbraw/zinc/99/40/10/1186994010.db2.gz QAUMFEKCHRMUHQ-SJORKVTESA-N 2 2 396.532 0.463 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000584073842 1186994011 /nfs/dbraw/zinc/99/40/11/1186994011.db2.gz QAUMFEKCHRMUHQ-SJORKVTESA-N 2 2 396.532 0.463 20 0 GCADLP COc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCC(=O)N1CCOCC1 ZINC000278646766 1187006339 /nfs/dbraw/zinc/00/63/39/1187006339.db2.gz LWMGPPKAXKUAEO-HDICACEKSA-N 2 2 389.496 0.926 20 0 GCADLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCC(=O)N1CCOCC1 ZINC000278646766 1187006340 /nfs/dbraw/zinc/00/63/40/1187006340.db2.gz LWMGPPKAXKUAEO-HDICACEKSA-N 2 2 389.496 0.926 20 0 GCADLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1OCC(=O)N1CCOCC1 ZINC000278646766 1187006342 /nfs/dbraw/zinc/00/63/42/1187006342.db2.gz LWMGPPKAXKUAEO-HDICACEKSA-N 2 2 389.496 0.926 20 0 GCADLP COc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1OCC(=O)N1CCOCC1 ZINC000278646766 1187006344 /nfs/dbraw/zinc/00/63/44/1187006344.db2.gz LWMGPPKAXKUAEO-HDICACEKSA-N 2 2 389.496 0.926 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000083694293 1187052137 /nfs/dbraw/zinc/05/21/37/1187052137.db2.gz UXADPXNPGQIYPU-RBUKOAKNSA-N 2 2 378.517 0.494 20 0 GCADLP COCC[NH+]1CCC(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000140417122 1187078156 /nfs/dbraw/zinc/07/81/56/1187078156.db2.gz OLBRWGIXKUDYSB-UHFFFAOYSA-N 2 2 391.520 0.009 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000657873544 1187086198 /nfs/dbraw/zinc/08/61/98/1187086198.db2.gz KFSUSQJBOBTYCL-UHFFFAOYSA-N 2 2 389.500 0.299 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337026 1187105110 /nfs/dbraw/zinc/10/51/10/1187105110.db2.gz YFFOUZIVSIOOPT-AEFFLSMTSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337026 1187105114 /nfs/dbraw/zinc/10/51/14/1187105114.db2.gz YFFOUZIVSIOOPT-AEFFLSMTSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685356985 1187114820 /nfs/dbraw/zinc/11/48/20/1187114820.db2.gz VMCJCYVVOLCMGD-AEFFLSMTSA-N 2 2 392.544 0.831 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685356985 1187114823 /nfs/dbraw/zinc/11/48/23/1187114823.db2.gz VMCJCYVVOLCMGD-AEFFLSMTSA-N 2 2 392.544 0.831 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685362016 1187116700 /nfs/dbraw/zinc/11/67/00/1187116700.db2.gz QIUORKPTWFWNTM-MANSERQUSA-N 2 2 392.544 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685362016 1187116703 /nfs/dbraw/zinc/11/67/03/1187116703.db2.gz QIUORKPTWFWNTM-MANSERQUSA-N 2 2 392.544 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@H]1CCO)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685412054 1187123083 /nfs/dbraw/zinc/12/30/83/1187123083.db2.gz OKKVZHWZPHDWMK-SZMVWBNQSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@H]1CCO)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685412054 1187123087 /nfs/dbraw/zinc/12/30/87/1187123087.db2.gz OKKVZHWZPHDWMK-SZMVWBNQSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]1CCO)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685412053 1187123365 /nfs/dbraw/zinc/12/33/65/1187123365.db2.gz OKKVZHWZPHDWMK-RYQLBKOJSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]1CCO)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685412053 1187123369 /nfs/dbraw/zinc/12/33/69/1187123369.db2.gz OKKVZHWZPHDWMK-RYQLBKOJSA-N 2 2 380.533 0.281 20 0 GCADLP CCOC1CC(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000685493262 1187134328 /nfs/dbraw/zinc/13/43/28/1187134328.db2.gz ISGQQAKSOBMEAV-CUYAVPTFSA-N 2 2 394.560 0.935 20 0 GCADLP CCOC1CC(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000685493262 1187134332 /nfs/dbraw/zinc/13/43/32/1187134332.db2.gz ISGQQAKSOBMEAV-CUYAVPTFSA-N 2 2 394.560 0.935 20 0 GCADLP CCOC1CC(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000685493261 1187134484 /nfs/dbraw/zinc/13/44/84/1187134484.db2.gz ISGQQAKSOBMEAV-AVAKVYKDSA-N 2 2 394.560 0.935 20 0 GCADLP CCOC1CC(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000685493261 1187134486 /nfs/dbraw/zinc/13/44/86/1187134486.db2.gz ISGQQAKSOBMEAV-AVAKVYKDSA-N 2 2 394.560 0.935 20 0 GCADLP CO[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000658495588 1187318101 /nfs/dbraw/zinc/31/81/01/1187318101.db2.gz UFLOUCLZJXTGJL-GOSISDBHSA-N 2 2 382.549 0.792 20 0 GCADLP CO[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000658495588 1187318104 /nfs/dbraw/zinc/31/81/04/1187318104.db2.gz UFLOUCLZJXTGJL-GOSISDBHSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000650905744 1187336110 /nfs/dbraw/zinc/33/61/10/1187336110.db2.gz UJDHOKXUTBMHGH-PWIZWCRZSA-N 2 2 388.512 0.736 20 0 GCADLP C[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000650905744 1187336115 /nfs/dbraw/zinc/33/61/15/1187336115.db2.gz UJDHOKXUTBMHGH-PWIZWCRZSA-N 2 2 388.512 0.736 20 0 GCADLP C[C@H](NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000650905744 1187336119 /nfs/dbraw/zinc/33/61/19/1187336119.db2.gz UJDHOKXUTBMHGH-PWIZWCRZSA-N 2 2 388.512 0.736 20 0 GCADLP C[C@H](NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000650905744 1187336124 /nfs/dbraw/zinc/33/61/24/1187336124.db2.gz UJDHOKXUTBMHGH-PWIZWCRZSA-N 2 2 388.512 0.736 20 0 GCADLP C[C@@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000650905741 1187336262 /nfs/dbraw/zinc/33/62/62/1187336262.db2.gz UJDHOKXUTBMHGH-AHRSYUTCSA-N 2 2 388.512 0.736 20 0 GCADLP C[C@@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000650905741 1187336265 /nfs/dbraw/zinc/33/62/65/1187336265.db2.gz UJDHOKXUTBMHGH-AHRSYUTCSA-N 2 2 388.512 0.736 20 0 GCADLP C[C@@H](NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000650905741 1187336270 /nfs/dbraw/zinc/33/62/70/1187336270.db2.gz UJDHOKXUTBMHGH-AHRSYUTCSA-N 2 2 388.512 0.736 20 0 GCADLP C[C@@H](NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000650905741 1187336273 /nfs/dbraw/zinc/33/62/73/1187336273.db2.gz UJDHOKXUTBMHGH-AHRSYUTCSA-N 2 2 388.512 0.736 20 0 GCADLP CN(C(=O)C(=O)Nc1cc(C2CC2)n(C)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685735991 1187389368 /nfs/dbraw/zinc/38/93/68/1187389368.db2.gz BCJURZVZOLVFBX-INIZCTEOSA-N 2 2 388.516 0.863 20 0 GCADLP CN(C(=O)C(=O)Nc1cc(C2CC2)n(C)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685735991 1187389371 /nfs/dbraw/zinc/38/93/71/1187389371.db2.gz BCJURZVZOLVFBX-INIZCTEOSA-N 2 2 388.516 0.863 20 0 GCADLP COc1ccc([C@H](C[NH3+])CN2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000569814266 1187456221 /nfs/dbraw/zinc/45/62/21/1187456221.db2.gz UWUVAKPMRQXATQ-IEBWSBKVSA-N 2 2 390.528 0.602 20 0 GCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000658778845 1187461166 /nfs/dbraw/zinc/46/11/66/1187461166.db2.gz MCXLJRAFXKOYGO-HNNXBMFYSA-N 2 2 375.473 0.766 20 0 GCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000658778845 1187461172 /nfs/dbraw/zinc/46/11/72/1187461172.db2.gz MCXLJRAFXKOYGO-HNNXBMFYSA-N 2 2 375.473 0.766 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000151608221 1187464625 /nfs/dbraw/zinc/46/46/25/1187464625.db2.gz NDLJCPOIZCMIAO-DLBZAZTESA-N 2 2 388.516 0.428 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000151608221 1187464629 /nfs/dbraw/zinc/46/46/29/1187464629.db2.gz NDLJCPOIZCMIAO-DLBZAZTESA-N 2 2 388.516 0.428 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000151608221 1187464633 /nfs/dbraw/zinc/46/46/33/1187464633.db2.gz NDLJCPOIZCMIAO-DLBZAZTESA-N 2 2 388.516 0.428 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000151608221 1187464637 /nfs/dbraw/zinc/46/46/37/1187464637.db2.gz NDLJCPOIZCMIAO-DLBZAZTESA-N 2 2 388.516 0.428 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000375907832 1187483187 /nfs/dbraw/zinc/48/31/87/1187483187.db2.gz ZQXYDGXDPXILSY-IBGZPJMESA-N 2 2 387.488 0.249 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000375907832 1187483192 /nfs/dbraw/zinc/48/31/92/1187483192.db2.gz ZQXYDGXDPXILSY-IBGZPJMESA-N 2 2 387.488 0.249 20 0 GCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000375908115 1187483279 /nfs/dbraw/zinc/48/32/79/1187483279.db2.gz VEBWBZPCZOCWDQ-MRXNPFEDSA-N 2 2 377.489 0.706 20 0 GCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000375908115 1187483282 /nfs/dbraw/zinc/48/32/82/1187483282.db2.gz VEBWBZPCZOCWDQ-MRXNPFEDSA-N 2 2 377.489 0.706 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612440701 1187490944 /nfs/dbraw/zinc/49/09/44/1187490944.db2.gz UUUAXGJKWRQOMB-MJGOQNOKSA-N 2 2 392.544 0.833 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612440701 1187490948 /nfs/dbraw/zinc/49/09/48/1187490948.db2.gz UUUAXGJKWRQOMB-MJGOQNOKSA-N 2 2 392.544 0.833 20 0 GCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000612485092 1187505699 /nfs/dbraw/zinc/50/56/99/1187505699.db2.gz KINMOFDMGVYVPX-SFHVURJKSA-N 3 2 395.592 0.707 20 0 GCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612485092 1187505701 /nfs/dbraw/zinc/50/57/01/1187505701.db2.gz KINMOFDMGVYVPX-SFHVURJKSA-N 3 2 395.592 0.707 20 0 GCADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000612602159 1187540026 /nfs/dbraw/zinc/54/00/26/1187540026.db2.gz WGURUTDGQAUCLL-KRWDZBQOSA-N 2 2 387.484 0.100 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000570309777 1187568060 /nfs/dbraw/zinc/56/80/60/1187568060.db2.gz LZGOBMAJACBOHL-GOSISDBHSA-N 2 2 382.549 0.792 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000570309777 1187568061 /nfs/dbraw/zinc/56/80/61/1187568061.db2.gz LZGOBMAJACBOHL-GOSISDBHSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133058246 1187570914 /nfs/dbraw/zinc/57/09/14/1187570914.db2.gz YMZBSXPBLVJIPI-WBVHZDCISA-N 2 2 376.505 0.352 20 0 GCADLP C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133058246 1187570917 /nfs/dbraw/zinc/57/09/17/1187570917.db2.gz YMZBSXPBLVJIPI-WBVHZDCISA-N 2 2 376.505 0.352 20 0 GCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000570331901 1187573562 /nfs/dbraw/zinc/57/35/62/1187573562.db2.gz CUJXVALLVNQMRV-CVEARBPZSA-N 2 2 392.500 0.256 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+](C)C1 ZINC000413904691 1187577006 /nfs/dbraw/zinc/57/70/06/1187577006.db2.gz PWCVMCAADBUMGE-MJGOQNOKSA-N 2 2 389.496 0.748 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+](C)C1 ZINC000413904691 1187577010 /nfs/dbraw/zinc/57/70/10/1187577010.db2.gz PWCVMCAADBUMGE-MJGOQNOKSA-N 2 2 389.496 0.748 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+](C)C1 ZINC000413906678 1187579077 /nfs/dbraw/zinc/57/90/77/1187579077.db2.gz SCLFSBHMGBPDMB-MSOLQXFVSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+](C)C1 ZINC000413906678 1187579081 /nfs/dbraw/zinc/57/90/81/1187579081.db2.gz SCLFSBHMGBPDMB-MSOLQXFVSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413906678 1187579084 /nfs/dbraw/zinc/57/90/84/1187579084.db2.gz SCLFSBHMGBPDMB-MSOLQXFVSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413906678 1187579086 /nfs/dbraw/zinc/57/90/86/1187579086.db2.gz SCLFSBHMGBPDMB-MSOLQXFVSA-N 2 2 375.469 0.451 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000612783246 1187583120 /nfs/dbraw/zinc/58/31/20/1187583120.db2.gz YQRMWENLKZYYAM-UHFFFAOYSA-N 2 2 380.533 0.405 20 0 GCADLP Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376092510 1187598322 /nfs/dbraw/zinc/59/83/22/1187598322.db2.gz FNVWNRHBFWWEHB-UZLBHIALSA-N 2 2 376.501 0.192 20 0 GCADLP Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376092510 1187598325 /nfs/dbraw/zinc/59/83/25/1187598325.db2.gz FNVWNRHBFWWEHB-UZLBHIALSA-N 2 2 376.501 0.192 20 0 GCADLP Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376092507 1187598508 /nfs/dbraw/zinc/59/85/08/1187598508.db2.gz FNVWNRHBFWWEHB-JXFKEZNVSA-N 2 2 376.501 0.192 20 0 GCADLP Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376092507 1187598514 /nfs/dbraw/zinc/59/85/14/1187598514.db2.gz FNVWNRHBFWWEHB-JXFKEZNVSA-N 2 2 376.501 0.192 20 0 GCADLP C[C@@]1(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]C1 ZINC000612881346 1187611147 /nfs/dbraw/zinc/61/11/47/1187611147.db2.gz QODFFHLIGQIJBN-DNVCBOLYSA-N 2 2 389.504 0.333 20 0 GCADLP C[C@@]1(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]C1 ZINC000612881346 1187611150 /nfs/dbraw/zinc/61/11/50/1187611150.db2.gz QODFFHLIGQIJBN-DNVCBOLYSA-N 2 2 389.504 0.333 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000431711181 1187627747 /nfs/dbraw/zinc/62/77/47/1187627747.db2.gz MTAFJYCKLRSROW-HIFRSBDPSA-N 2 2 375.473 0.764 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000431711181 1187627750 /nfs/dbraw/zinc/62/77/50/1187627750.db2.gz MTAFJYCKLRSROW-HIFRSBDPSA-N 2 2 375.473 0.764 20 0 GCADLP CC[NH+](CC)CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000613012063 1187635568 /nfs/dbraw/zinc/63/55/68/1187635568.db2.gz LASXEKJMSWNFPQ-NVXWUHKLSA-N 2 2 382.530 0.803 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)CC2)CC1 ZINC000892522093 1187664633 /nfs/dbraw/zinc/66/46/33/1187664633.db2.gz PNVZGBISFJRLFV-PMACEKPBSA-N 3 2 393.576 0.786 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)CC2)CC1 ZINC000892522093 1187664636 /nfs/dbraw/zinc/66/46/36/1187664636.db2.gz PNVZGBISFJRLFV-PMACEKPBSA-N 3 2 393.576 0.786 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[nH]n1 ZINC000613189869 1187694482 /nfs/dbraw/zinc/69/44/82/1187694482.db2.gz ABSCTGCXNDFOIX-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)[nH]n1 ZINC000613189869 1187694485 /nfs/dbraw/zinc/69/44/85/1187694485.db2.gz ABSCTGCXNDFOIX-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)[nH]n1 ZINC000613189869 1187694490 /nfs/dbraw/zinc/69/44/90/1187694490.db2.gz ABSCTGCXNDFOIX-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)[nH]n1 ZINC000613189869 1187694492 /nfs/dbraw/zinc/69/44/92/1187694492.db2.gz ABSCTGCXNDFOIX-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)n[nH]1 ZINC000613189869 1187694495 /nfs/dbraw/zinc/69/44/95/1187694495.db2.gz ABSCTGCXNDFOIX-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)n[nH]1 ZINC000613189869 1187694499 /nfs/dbraw/zinc/69/44/99/1187694499.db2.gz ABSCTGCXNDFOIX-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000613189869 1187694501 /nfs/dbraw/zinc/69/45/01/1187694501.db2.gz ABSCTGCXNDFOIX-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000613189869 1187694505 /nfs/dbraw/zinc/69/45/05/1187694505.db2.gz ABSCTGCXNDFOIX-PYHGIMPFSA-N 2 2 376.505 0.739 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3CC(=O)N(C(C)C)C3=O)CC2)CC1 ZINC000066450393 1187705896 /nfs/dbraw/zinc/70/58/96/1187705896.db2.gz NYLGWEGOXXUGBA-UHFFFAOYSA-N 2 2 393.532 0.883 20 0 GCADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N1CCOCC1 ZINC000167074830 1187735779 /nfs/dbraw/zinc/73/57/79/1187735779.db2.gz PRCSBBYHLPHCRR-ROUUACIJSA-N 2 2 388.578 0.832 20 0 GCADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N1CCOCC1 ZINC000167074830 1187735781 /nfs/dbraw/zinc/73/57/81/1187735781.db2.gz PRCSBBYHLPHCRR-ROUUACIJSA-N 2 2 388.578 0.832 20 0 GCADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000892543482 1187741907 /nfs/dbraw/zinc/74/19/07/1187741907.db2.gz FSHJUVJWLPRNAE-IAGOWNOFSA-N 2 2 386.500 0.466 20 0 GCADLP C[N@H+]1C[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000892543482 1187741910 /nfs/dbraw/zinc/74/19/10/1187741910.db2.gz FSHJUVJWLPRNAE-IAGOWNOFSA-N 2 2 386.500 0.466 20 0 GCADLP C[C@@H]1CC[N@H+](CCNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000892544487 1187747058 /nfs/dbraw/zinc/74/70/58/1187747058.db2.gz MCYSOWUFWYZYBX-QGZVFWFLSA-N 2 2 388.516 0.761 20 0 GCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000892544487 1187747061 /nfs/dbraw/zinc/74/70/61/1187747061.db2.gz MCYSOWUFWYZYBX-QGZVFWFLSA-N 2 2 388.516 0.761 20 0 GCADLP C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000332742559 1187759989 /nfs/dbraw/zinc/75/99/89/1187759989.db2.gz VSTZEZHLXSLPEW-OALUTQOASA-N 2 2 393.576 0.463 20 0 GCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376322272 1187761964 /nfs/dbraw/zinc/76/19/64/1187761964.db2.gz MBZRYVAVALADGO-NVXWUHKLSA-N 2 2 381.521 0.044 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)CC1 ZINC000549046258 1187795227 /nfs/dbraw/zinc/79/52/27/1187795227.db2.gz JSKSQACIIHTZIZ-MSOLQXFVSA-N 2 2 377.533 0.998 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCCO[C@@H](C[NH3+])C3)C2)c1 ZINC000892608955 1187824732 /nfs/dbraw/zinc/82/47/32/1187824732.db2.gz KJVFECAOWFGEMH-OALUTQOASA-N 2 2 376.501 0.955 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCCO[C@@H](C[NH3+])C3)C2)c1 ZINC000892608955 1187824734 /nfs/dbraw/zinc/82/47/34/1187824734.db2.gz KJVFECAOWFGEMH-OALUTQOASA-N 2 2 376.501 0.955 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000658978275 1187829024 /nfs/dbraw/zinc/82/90/24/1187829024.db2.gz PHGPPCZICXOSKC-ZWKOTPCHSA-N 2 2 378.517 0.396 20 0 GCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000613539121 1187886611 /nfs/dbraw/zinc/88/66/11/1187886611.db2.gz RWLBIUKEIBLORB-CQSZACIVSA-N 2 2 391.497 0.924 20 0 GCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000659112147 1187890749 /nfs/dbraw/zinc/89/07/49/1187890749.db2.gz HYNSVMNFHKABPR-CQSZACIVSA-N 2 2 375.473 0.013 20 0 GCADLP CN(C(=O)C(=O)N1CCSC(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344858 1187946265 /nfs/dbraw/zinc/94/62/65/1187946265.db2.gz NHHNRMQXOYXYSO-INIZCTEOSA-N 2 2 382.574 0.967 20 0 GCADLP CN(C(=O)C(=O)N1CCSC(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344858 1187946266 /nfs/dbraw/zinc/94/62/66/1187946266.db2.gz NHHNRMQXOYXYSO-INIZCTEOSA-N 2 2 382.574 0.967 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344815 1187946439 /nfs/dbraw/zinc/94/64/39/1187946439.db2.gz LCUGUWWOFUFGAJ-ROUUACIJSA-N 2 2 380.533 0.497 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344815 1187946440 /nfs/dbraw/zinc/94/64/40/1187946440.db2.gz LCUGUWWOFUFGAJ-ROUUACIJSA-N 2 2 380.533 0.497 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344521 1187946604 /nfs/dbraw/zinc/94/66/04/1187946604.db2.gz BEUQHMGAMSFATD-IAGOWNOFSA-N 2 2 382.574 0.967 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344521 1187946608 /nfs/dbraw/zinc/94/66/08/1187946608.db2.gz BEUQHMGAMSFATD-IAGOWNOFSA-N 2 2 382.574 0.967 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344793 1187946786 /nfs/dbraw/zinc/94/67/86/1187946786.db2.gz KVPRJRITFFEGSP-QZTJIDSGSA-N 3 2 379.549 0.166 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344793 1187946787 /nfs/dbraw/zinc/94/67/87/1187946787.db2.gz KVPRJRITFFEGSP-QZTJIDSGSA-N 3 2 379.549 0.166 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000659684754 1187997060 /nfs/dbraw/zinc/99/70/60/1187997060.db2.gz LBCJRUXXPRDKMW-RTBURBONSA-N 2 2 394.560 0.698 20 0 GCADLP C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000415347060 1188056106 /nfs/dbraw/zinc/05/61/06/1188056106.db2.gz IMUVARPVHHSOML-WMZOPIPTSA-N 2 2 387.528 0.877 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000415369233 1188062683 /nfs/dbraw/zinc/06/26/83/1188062683.db2.gz BMCUSTNTYFFDHK-LJQANCHMSA-N 2 2 387.528 0.973 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000415421852 1188076971 /nfs/dbraw/zinc/07/69/71/1188076971.db2.gz YNHCJGMQBHMZPK-OAHLLOKOSA-N 2 2 387.484 0.110 20 0 GCADLP CN(C(=O)CNC(=O)NCc1ccco1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377637186 1188092193 /nfs/dbraw/zinc/09/21/93/1188092193.db2.gz OYSWNNQMLBOHDB-INIZCTEOSA-N 2 2 377.489 0.706 20 0 GCADLP CN(C(=O)CNC(=O)NCc1ccco1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377637186 1188092198 /nfs/dbraw/zinc/09/21/98/1188092198.db2.gz OYSWNNQMLBOHDB-INIZCTEOSA-N 2 2 377.489 0.706 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377648414 1188095084 /nfs/dbraw/zinc/09/50/84/1188095084.db2.gz NTAHTICIFAERLZ-ROUUACIJSA-N 2 2 380.533 0.548 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377648414 1188095089 /nfs/dbraw/zinc/09/50/89/1188095089.db2.gz NTAHTICIFAERLZ-ROUUACIJSA-N 2 2 380.533 0.548 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000415517404 1188097084 /nfs/dbraw/zinc/09/70/84/1188097084.db2.gz HKKZNUDLVBKRBJ-SJLPKXTDSA-N 2 2 387.528 0.958 20 0 GCADLP Cn1nccc1[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000893024789 1188103221 /nfs/dbraw/zinc/10/32/21/1188103221.db2.gz VUYPQKOCWDFKHJ-CRAIPNDOSA-N 2 2 376.505 0.672 20 0 GCADLP Cn1nccc1[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000893024789 1188103224 /nfs/dbraw/zinc/10/32/24/1188103224.db2.gz VUYPQKOCWDFKHJ-CRAIPNDOSA-N 2 2 376.505 0.672 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@H](C)C[NH2+]1 ZINC000415551861 1188104322 /nfs/dbraw/zinc/10/43/22/1188104322.db2.gz DXKHYHGFWLZZHO-HUUCEWRRSA-N 2 2 387.484 0.222 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4cc(=O)[nH]cn4)C3)C2)CC1 ZINC000893024422 1188105896 /nfs/dbraw/zinc/10/58/96/1188105896.db2.gz VFRFEUUKIBAHOF-GJZGRUSLSA-N 2 2 389.504 0.229 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4cc(=O)[nH]cn4)C3)C2)CC1 ZINC000893024422 1188105900 /nfs/dbraw/zinc/10/59/00/1188105900.db2.gz VFRFEUUKIBAHOF-GJZGRUSLSA-N 2 2 389.504 0.229 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000415693831 1188140690 /nfs/dbraw/zinc/14/06/90/1188140690.db2.gz QITQBKZGMLOKEW-OAQYLSRUSA-N 2 2 387.528 0.960 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000415866736 1189388181 /nfs/dbraw/zinc/38/81/81/1189388181.db2.gz OPONSVJUOODQCH-HLLBOEOZSA-N 2 2 390.484 0.339 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000415866736 1189388187 /nfs/dbraw/zinc/38/81/87/1189388187.db2.gz OPONSVJUOODQCH-HLLBOEOZSA-N 2 2 390.484 0.339 20 0 GCADLP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000415864489 1189390758 /nfs/dbraw/zinc/39/07/58/1189390758.db2.gz MIGWFBMEWAAKEM-QGZVFWFLSA-N 2 2 383.452 0.930 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106582108 1189434704 /nfs/dbraw/zinc/43/47/04/1189434704.db2.gz LBXGMOUJOIEDNE-GOSISDBHSA-N 2 2 396.580 0.208 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106582108 1189434709 /nfs/dbraw/zinc/43/47/09/1189434709.db2.gz LBXGMOUJOIEDNE-GOSISDBHSA-N 2 2 396.580 0.208 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000106789544 1189441027 /nfs/dbraw/zinc/44/10/27/1189441027.db2.gz RRCPNWWYMQYJNB-IAGOWNOFSA-N 2 2 378.517 0.300 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000106789544 1189441031 /nfs/dbraw/zinc/44/10/31/1189441031.db2.gz RRCPNWWYMQYJNB-IAGOWNOFSA-N 2 2 378.517 0.300 20 0 GCADLP CO[C@@H](CC(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000416151063 1189445347 /nfs/dbraw/zinc/44/53/47/1189445347.db2.gz NVDPBZSRJIHDQP-SFHVURJKSA-N 2 2 382.549 0.744 20 0 GCADLP COCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363809493 1189494793 /nfs/dbraw/zinc/49/47/93/1189494793.db2.gz BOKGVUUJMQMNAX-IBGZPJMESA-N 3 2 381.565 0.907 20 0 GCADLP COCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363809493 1189494795 /nfs/dbraw/zinc/49/47/95/1189494795.db2.gz BOKGVUUJMQMNAX-IBGZPJMESA-N 3 2 381.565 0.907 20 0 GCADLP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378425511 1189504232 /nfs/dbraw/zinc/50/42/32/1189504232.db2.gz FTINUVJVXNAZFY-KRWDZBQOSA-N 2 2 391.512 0.859 20 0 GCADLP COC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363896163 1189557030 /nfs/dbraw/zinc/55/70/30/1189557030.db2.gz FYHGKGRIOKQZKZ-AWEZNQCLSA-N 2 2 388.468 0.696 20 0 GCADLP COC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363896163 1189557034 /nfs/dbraw/zinc/55/70/34/1189557034.db2.gz FYHGKGRIOKQZKZ-AWEZNQCLSA-N 2 2 388.468 0.696 20 0 GCADLP CC(C)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000363903504 1189561502 /nfs/dbraw/zinc/56/15/02/1189561502.db2.gz LSSDTLCSLCIWGH-OAHLLOKOSA-N 2 2 376.505 0.762 20 0 GCADLP CC(C)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000363903504 1189561505 /nfs/dbraw/zinc/56/15/05/1189561505.db2.gz LSSDTLCSLCIWGH-OAHLLOKOSA-N 2 2 376.505 0.762 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CC4)C2)CC1 ZINC000363908197 1189567681 /nfs/dbraw/zinc/56/76/81/1189567681.db2.gz FMQGOTOTQODOHY-MRXNPFEDSA-N 2 2 399.495 0.795 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CC4)C2)CC1 ZINC000363908197 1189567686 /nfs/dbraw/zinc/56/76/86/1189567686.db2.gz FMQGOTOTQODOHY-MRXNPFEDSA-N 2 2 399.495 0.795 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000363914935 1189572838 /nfs/dbraw/zinc/57/28/38/1189572838.db2.gz YPAFCZTWBPTHQL-AWEZNQCLSA-N 2 2 388.516 0.997 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000363914935 1189572843 /nfs/dbraw/zinc/57/28/43/1189572843.db2.gz YPAFCZTWBPTHQL-AWEZNQCLSA-N 2 2 388.516 0.997 20 0 GCADLP O=C(C[NH+]1CCC(NC(=O)NCCN2CC[NH2+]CC2)CC1)Nc1ccccc1 ZINC000416938491 1189595654 /nfs/dbraw/zinc/59/56/54/1189595654.db2.gz ZWSRMWGSUCFGKA-UHFFFAOYSA-N 2 2 388.516 0.294 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)O1 ZINC000416940938 1189596653 /nfs/dbraw/zinc/59/66/53/1189596653.db2.gz JOVGYHHMSDDNRB-BBWFWOEESA-N 2 2 381.521 0.092 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)O1 ZINC000416940938 1189596657 /nfs/dbraw/zinc/59/66/57/1189596657.db2.gz JOVGYHHMSDDNRB-BBWFWOEESA-N 2 2 381.521 0.092 20 0 GCADLP [NH3+]CCN(CCc1ccccc1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417164610 1189626954 /nfs/dbraw/zinc/62/69/54/1189626954.db2.gz WNZJRGYQGSULGW-UHFFFAOYSA-N 2 2 397.527 0.812 20 0 GCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000417302425 1189641255 /nfs/dbraw/zinc/64/12/55/1189641255.db2.gz WFFBZANKZMWGDM-LJQANCHMSA-N 2 2 392.500 0.575 20 0 GCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@@H]1C[NH2+]CCO1 ZINC000417297163 1189642993 /nfs/dbraw/zinc/64/29/93/1189642993.db2.gz NSEJDJCLQVQCAZ-SFHVURJKSA-N 2 2 378.473 0.185 20 0 GCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000417321198 1189646897 /nfs/dbraw/zinc/64/68/97/1189646897.db2.gz SASQHYUNYNBNRY-GOSISDBHSA-N 2 2 392.500 0.575 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000417323193 1189647891 /nfs/dbraw/zinc/64/78/91/1189647891.db2.gz XVGOEQKHGZDHBT-QGZVFWFLSA-N 2 2 378.473 0.267 20 0 GCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612878159 1189649785 /nfs/dbraw/zinc/64/97/85/1189649785.db2.gz DPXAJCSKNUPORG-CVEARBPZSA-N 2 2 391.520 0.039 20 0 GCADLP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612878159 1189649787 /nfs/dbraw/zinc/64/97/87/1189649787.db2.gz DPXAJCSKNUPORG-CVEARBPZSA-N 2 2 391.520 0.039 20 0 GCADLP [NH3+]CC[C@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)F ZINC000417360392 1189652508 /nfs/dbraw/zinc/65/25/08/1189652508.db2.gz AKXDDQVAKRZXGO-ZDUSSCGKSA-N 2 2 384.431 0.402 20 0 GCADLP CN(CC(C)(C)C[NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417363575 1189653546 /nfs/dbraw/zinc/65/35/46/1189653546.db2.gz FZTVGROGIQYFDX-UHFFFAOYSA-N 2 2 376.505 0.747 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417372219 1189654342 /nfs/dbraw/zinc/65/43/42/1189654342.db2.gz YEMYFRRXISWPEC-IRXDYDNUSA-N 2 2 388.516 0.937 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417368201 1189654461 /nfs/dbraw/zinc/65/44/61/1189654461.db2.gz NRPRDRVZSCJTKY-INIZCTEOSA-N 2 2 376.505 0.937 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417372217 1189654602 /nfs/dbraw/zinc/65/46/02/1189654602.db2.gz YEMYFRRXISWPEC-DLBZAZTESA-N 2 2 388.516 0.937 20 0 GCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000925601087 1189657026 /nfs/dbraw/zinc/65/70/26/1189657026.db2.gz JKTMGJLBHSAACP-QGZVFWFLSA-N 2 2 383.537 0.389 20 0 GCADLP COC[C@]1(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000417602673 1189690203 /nfs/dbraw/zinc/69/02/03/1189690203.db2.gz OZNTVXUJVGUQCS-PZJWPPBQSA-N 2 2 390.528 0.998 20 0 GCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000660339009 1189717081 /nfs/dbraw/zinc/71/70/81/1189717081.db2.gz WAJGHAQOAVLAOL-QGZVFWFLSA-N 2 2 378.517 0.396 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)ccn2)CC1 ZINC000660350327 1189729689 /nfs/dbraw/zinc/72/96/89/1189729689.db2.gz XFESSVXOBKVNLX-GOSISDBHSA-N 2 2 388.516 0.450 20 0 GCADLP Cc1cc(Cn2nnc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2C)on1 ZINC000644795873 1189759263 /nfs/dbraw/zinc/75/92/63/1189759263.db2.gz TUPXHMQRHLHJIV-OAHLLOKOSA-N 2 2 387.488 0.830 20 0 GCADLP Cc1cc(Cn2nnc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2C)on1 ZINC000644795873 1189759267 /nfs/dbraw/zinc/75/92/67/1189759267.db2.gz TUPXHMQRHLHJIV-OAHLLOKOSA-N 2 2 387.488 0.830 20 0 GCADLP C[NH+](C)C1CCN(CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000364374344 1189771826 /nfs/dbraw/zinc/77/18/26/1189771826.db2.gz JSFZMAFZVPEFGH-UHFFFAOYSA-N 2 2 393.536 0.363 20 0 GCADLP C[N@@H+]1CCN(CCCNC(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](c2ccccc2)C1 ZINC000636560416 1189809738 /nfs/dbraw/zinc/80/97/38/1189809738.db2.gz SOOHGSSVRGSMTM-VQTJNVASSA-N 2 2 389.544 0.731 20 0 GCADLP C[N@H+]1CCN(CCCNC(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](c2ccccc2)C1 ZINC000636560416 1189809747 /nfs/dbraw/zinc/80/97/47/1189809747.db2.gz SOOHGSSVRGSMTM-VQTJNVASSA-N 2 2 389.544 0.731 20 0 GCADLP C[NH+]1CCN(CCCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)[C@@H](c2ccccc2)C1 ZINC000636560416 1189809754 /nfs/dbraw/zinc/80/97/54/1189809754.db2.gz SOOHGSSVRGSMTM-VQTJNVASSA-N 2 2 389.544 0.731 20 0 GCADLP C[NH+]1CCN(CCCNC(=O)NCC[N@H+]2CC[C@H](O)C2)[C@@H](c2ccccc2)C1 ZINC000636560416 1189809763 /nfs/dbraw/zinc/80/97/63/1189809763.db2.gz SOOHGSSVRGSMTM-VQTJNVASSA-N 2 2 389.544 0.731 20 0 GCADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000418528304 1189815951 /nfs/dbraw/zinc/81/59/51/1189815951.db2.gz VOASOVBRQOPFDB-OKILXGFUSA-N 2 2 378.464 0.880 20 0 GCADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000418528304 1189815960 /nfs/dbraw/zinc/81/59/60/1189815960.db2.gz VOASOVBRQOPFDB-OKILXGFUSA-N 2 2 378.464 0.880 20 0 GCADLP Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000106041217 1189844984 /nfs/dbraw/zinc/84/49/84/1189844984.db2.gz DZONXOODIKJGMB-UHFFFAOYSA-N 2 2 376.505 0.039 20 0 GCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660493698 1189855085 /nfs/dbraw/zinc/85/50/85/1189855085.db2.gz HXNUJAWNSRNUCJ-GOSISDBHSA-N 2 2 382.549 0.890 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000660532535 1189890496 /nfs/dbraw/zinc/89/04/96/1189890496.db2.gz QDQPQHVOGFVYNF-IRXDYDNUSA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000660532535 1189890510 /nfs/dbraw/zinc/89/05/10/1189890510.db2.gz QDQPQHVOGFVYNF-IRXDYDNUSA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000660532535 1189890517 /nfs/dbraw/zinc/89/05/17/1189890517.db2.gz QDQPQHVOGFVYNF-IRXDYDNUSA-N 2 2 380.533 0.498 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000660532535 1189890526 /nfs/dbraw/zinc/89/05/26/1189890526.db2.gz QDQPQHVOGFVYNF-IRXDYDNUSA-N 2 2 380.533 0.498 20 0 GCADLP COCC1([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000660630467 1189919156 /nfs/dbraw/zinc/91/91/56/1189919156.db2.gz HCGWWUIZJVLEKM-UHFFFAOYSA-N 2 2 391.512 0.920 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660853171 1189956154 /nfs/dbraw/zinc/95/61/54/1189956154.db2.gz RJXKNHLJOBQRGM-IAGOWNOFSA-N 2 2 381.521 0.045 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660853171 1189956157 /nfs/dbraw/zinc/95/61/57/1189956157.db2.gz RJXKNHLJOBQRGM-IAGOWNOFSA-N 2 2 381.521 0.045 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H](O)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661066161 1189986068 /nfs/dbraw/zinc/98/60/68/1189986068.db2.gz YVMQRSUFSLFSTA-IPMKNSEASA-N 2 2 394.560 0.765 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H](O)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661066161 1189986072 /nfs/dbraw/zinc/98/60/72/1189986072.db2.gz YVMQRSUFSLFSTA-IPMKNSEASA-N 2 2 394.560 0.765 20 0 GCADLP CC(C)C[C@H](C[NH3+])CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662792481 1190032161 /nfs/dbraw/zinc/03/21/61/1190032161.db2.gz VZBVAVHAGMNWNI-SFHVURJKSA-N 3 2 395.592 0.694 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]32)CC[N@@H+]1C ZINC000976611874 1190049701 /nfs/dbraw/zinc/04/97/01/1190049701.db2.gz XCCDBBIXXUPZSW-JWMVTWHYSA-N 2 2 385.512 0.827 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]32)CC[N@H+]1C ZINC000976611874 1190049704 /nfs/dbraw/zinc/04/97/04/1190049704.db2.gz XCCDBBIXXUPZSW-JWMVTWHYSA-N 2 2 385.512 0.827 20 0 GCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000150923894 1193736594 /nfs/dbraw/zinc/73/65/94/1193736594.db2.gz NIRNECNNSAKDAX-UHFFFAOYSA-N 2 2 381.440 0.999 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419231314 1193740389 /nfs/dbraw/zinc/74/03/89/1193740389.db2.gz JUMBWLAFUXVKQE-UHFFFAOYSA-N 2 2 392.500 0.246 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419231314 1193740392 /nfs/dbraw/zinc/74/03/92/1193740392.db2.gz JUMBWLAFUXVKQE-UHFFFAOYSA-N 2 2 392.500 0.246 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000549872267 1193740725 /nfs/dbraw/zinc/74/07/25/1193740725.db2.gz ZQUCQNQPILNERS-INIZCTEOSA-N 2 2 382.549 0.885 20 0 GCADLP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000332989347 1193754567 /nfs/dbraw/zinc/75/45/67/1193754567.db2.gz CDUSDKDZQOGANP-AZUAARDMSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000332989347 1193754571 /nfs/dbraw/zinc/75/45/71/1193754571.db2.gz CDUSDKDZQOGANP-AZUAARDMSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000332989347 1193754575 /nfs/dbraw/zinc/75/45/75/1193754575.db2.gz CDUSDKDZQOGANP-AZUAARDMSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000332989347 1193754580 /nfs/dbraw/zinc/75/45/80/1193754580.db2.gz CDUSDKDZQOGANP-AZUAARDMSA-N 2 2 376.501 0.595 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419247964 1193764667 /nfs/dbraw/zinc/76/46/67/1193764667.db2.gz XNQALBGZUDPBPN-YDHLFZDLSA-N 2 2 394.541 0.840 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419247964 1193764670 /nfs/dbraw/zinc/76/46/70/1193764670.db2.gz XNQALBGZUDPBPN-YDHLFZDLSA-N 2 2 394.541 0.840 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270065 1193777749 /nfs/dbraw/zinc/77/77/49/1193777749.db2.gz COXAQKQGEDPNGA-WMLDXEAASA-N 2 2 385.468 0.777 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc2)CC1 ZINC000509826755 1193789532 /nfs/dbraw/zinc/78/95/32/1193789532.db2.gz NQUNLKUWQWNVJJ-HNNXBMFYSA-N 2 2 389.500 0.356 20 0 GCADLP Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)[nH+]c1 ZINC000419302242 1193795708 /nfs/dbraw/zinc/79/57/08/1193795708.db2.gz POAFLFSLXOUAOK-ZBFHGGJFSA-N 2 2 389.500 0.704 20 0 GCADLP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000412065139 1193805460 /nfs/dbraw/zinc/80/54/60/1193805460.db2.gz CNGDCJTWQHHYTP-HUUCEWRRSA-N 2 2 387.488 0.105 20 0 GCADLP C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000412065139 1193805464 /nfs/dbraw/zinc/80/54/64/1193805464.db2.gz CNGDCJTWQHHYTP-HUUCEWRRSA-N 2 2 387.488 0.105 20 0 GCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000052364654 1193855462 /nfs/dbraw/zinc/85/54/62/1193855462.db2.gz HVACIOOFUDUMFD-UHFFFAOYSA-N 2 2 385.468 0.821 20 0 GCADLP O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419368849 1193869723 /nfs/dbraw/zinc/86/97/23/1193869723.db2.gz ZZEFUSJHDUDHJU-UHFFFAOYSA-N 2 2 397.479 0.854 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419381628 1193883004 /nfs/dbraw/zinc/88/30/04/1193883004.db2.gz CPXZJUBTTNTDMD-ULQDDVLXSA-N 2 2 394.903 0.681 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419381628 1193883007 /nfs/dbraw/zinc/88/30/07/1193883007.db2.gz CPXZJUBTTNTDMD-ULQDDVLXSA-N 2 2 394.903 0.681 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000419381605 1193883784 /nfs/dbraw/zinc/88/37/84/1193883784.db2.gz CNGIRARHQGUFIT-ZACQAIPSSA-N 2 2 394.903 0.648 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000419381605 1193883791 /nfs/dbraw/zinc/88/37/91/1193883791.db2.gz CNGIRARHQGUFIT-ZACQAIPSSA-N 2 2 394.903 0.648 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419382574 1193888486 /nfs/dbraw/zinc/88/84/86/1193888486.db2.gz DKIHRMMTLSLYSQ-IAGOWNOFSA-N 2 2 396.919 0.896 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419382574 1193888492 /nfs/dbraw/zinc/88/84/92/1193888492.db2.gz DKIHRMMTLSLYSQ-IAGOWNOFSA-N 2 2 396.919 0.896 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419383766 1193890890 /nfs/dbraw/zinc/89/08/90/1193890890.db2.gz FPCLZLDXILJSEI-IKGGRYGDSA-N 2 2 396.919 0.927 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419383766 1193890899 /nfs/dbraw/zinc/89/08/99/1193890899.db2.gz FPCLZLDXILJSEI-IKGGRYGDSA-N 2 2 396.919 0.927 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385165 1193894145 /nfs/dbraw/zinc/89/41/45/1193894145.db2.gz HJASHRYLPJDFOP-JYJNAYRXSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385165 1193894150 /nfs/dbraw/zinc/89/41/50/1193894150.db2.gz HJASHRYLPJDFOP-JYJNAYRXSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386824 1193895610 /nfs/dbraw/zinc/89/56/10/1193895610.db2.gz IYLUENHNFZWDCO-LSDHHAIUSA-N 2 2 382.892 0.681 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386824 1193895618 /nfs/dbraw/zinc/89/56/18/1193895618.db2.gz IYLUENHNFZWDCO-LSDHHAIUSA-N 2 2 382.892 0.681 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)c2ccc(Cl)cc2)C1 ZINC000419388413 1193898379 /nfs/dbraw/zinc/89/83/79/1193898379.db2.gz KMXLZQQORSBYSG-JKSUJKDBSA-N 2 2 394.903 0.826 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)c2ccc(Cl)cc2)C1 ZINC000419388413 1193898384 /nfs/dbraw/zinc/89/83/84/1193898384.db2.gz KMXLZQQORSBYSG-JKSUJKDBSA-N 2 2 394.903 0.826 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH3+] ZINC000419388474 1193898590 /nfs/dbraw/zinc/89/85/90/1193898590.db2.gz KQWBZMDAYHQXLF-VDNDLQMASA-N 2 2 394.903 0.634 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH3+] ZINC000419388474 1193898596 /nfs/dbraw/zinc/89/85/96/1193898596.db2.gz KQWBZMDAYHQXLF-VDNDLQMASA-N 2 2 394.903 0.634 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392509 1193919055 /nfs/dbraw/zinc/91/90/55/1193919055.db2.gz OLCMTQKQGMBANZ-ZACQAIPSSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392509 1193919057 /nfs/dbraw/zinc/91/90/57/1193919057.db2.gz OLCMTQKQGMBANZ-ZACQAIPSSA-N 2 2 394.903 0.778 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419394413 1193920570 /nfs/dbraw/zinc/92/05/70/1193920570.db2.gz SCWAYCOMKRNZLF-DAXOMENPSA-N 2 2 382.892 0.681 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419394413 1193920572 /nfs/dbraw/zinc/92/05/72/1193920572.db2.gz SCWAYCOMKRNZLF-DAXOMENPSA-N 2 2 382.892 0.681 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419394416 1193920853 /nfs/dbraw/zinc/92/08/53/1193920853.db2.gz SCWAYCOMKRNZLF-WQVCFCJDSA-N 2 2 382.892 0.681 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419394416 1193920856 /nfs/dbraw/zinc/92/08/56/1193920856.db2.gz SCWAYCOMKRNZLF-WQVCFCJDSA-N 2 2 382.892 0.681 20 0 GCADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)C1CCOCC1 ZINC000261769557 1193925801 /nfs/dbraw/zinc/92/58/01/1193925801.db2.gz FOXRNRWIKKWDEW-HKUYNNGSSA-N 2 2 377.485 0.324 20 0 GCADLP CCOc1ccc(C[NH+]2CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000262004958 1193935396 /nfs/dbraw/zinc/93/53/96/1193935396.db2.gz DWRAUUHHLOSFQX-IBGZPJMESA-N 2 2 376.501 0.829 20 0 GCADLP CS(=O)(=O)C1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]CC1 ZINC000262469179 1193948865 /nfs/dbraw/zinc/94/88/65/1193948865.db2.gz YDMNIIAIMFAWRL-UHFFFAOYSA-N 2 2 380.445 0.794 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000433823248 1193951049 /nfs/dbraw/zinc/95/10/49/1193951049.db2.gz NQAYETBRXFEXAZ-IBGZPJMESA-N 2 2 394.608 0.822 20 0 GCADLP CC(C)(C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000513494965 1193956476 /nfs/dbraw/zinc/95/64/76/1193956476.db2.gz KSJZOYAAYZJGMT-UHFFFAOYSA-N 2 2 394.560 0.938 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419396829 1193971062 /nfs/dbraw/zinc/97/10/62/1193971062.db2.gz WLBOGAGYGRBFNX-DAXOMENPSA-N 2 2 382.892 0.539 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419396829 1193971065 /nfs/dbraw/zinc/97/10/65/1193971065.db2.gz WLBOGAGYGRBFNX-DAXOMENPSA-N 2 2 382.892 0.539 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000280042935 1193974461 /nfs/dbraw/zinc/97/44/61/1193974461.db2.gz OFFSCUUKNCERND-INIZCTEOSA-N 2 2 379.505 0.884 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000419397313 1194018419 /nfs/dbraw/zinc/01/84/19/1194018419.db2.gz XHAFTWBAASSTKK-IRXDYDNUSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000419397313 1194018421 /nfs/dbraw/zinc/01/84/21/1194018421.db2.gz XHAFTWBAASSTKK-IRXDYDNUSA-N 2 2 394.903 0.778 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419397958 1194018506 /nfs/dbraw/zinc/01/85/06/1194018506.db2.gz YVGGMQCHDBSXQJ-XKQJLSEDSA-N 2 2 396.919 0.800 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419397958 1194018512 /nfs/dbraw/zinc/01/85/12/1194018512.db2.gz YVGGMQCHDBSXQJ-XKQJLSEDSA-N 2 2 396.919 0.800 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419397967 1194018535 /nfs/dbraw/zinc/01/85/35/1194018535.db2.gz YVXIGCPBOVGNMK-DLBZAZTESA-N 2 2 396.919 0.944 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419397967 1194018538 /nfs/dbraw/zinc/01/85/38/1194018538.db2.gz YVXIGCPBOVGNMK-DLBZAZTESA-N 2 2 396.919 0.944 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419399459 1194019273 /nfs/dbraw/zinc/01/92/73/1194019273.db2.gz KABNXLORQDIPIM-WBVHZDCISA-N 2 2 376.526 0.541 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419399459 1194019274 /nfs/dbraw/zinc/01/92/74/1194019274.db2.gz KABNXLORQDIPIM-WBVHZDCISA-N 2 2 376.526 0.541 20 0 GCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419400312 1194019574 /nfs/dbraw/zinc/01/95/74/1194019574.db2.gz LRUBPQIYFVQPAV-AWEZNQCLSA-N 2 2 386.468 0.430 20 0 GCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419400312 1194019579 /nfs/dbraw/zinc/01/95/79/1194019579.db2.gz LRUBPQIYFVQPAV-AWEZNQCLSA-N 2 2 386.468 0.430 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419405317 1194021839 /nfs/dbraw/zinc/02/18/39/1194021839.db2.gz UXJLGEGJSLNJPN-JZXOWHBKSA-N 2 2 390.553 0.929 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419405317 1194021843 /nfs/dbraw/zinc/02/18/43/1194021843.db2.gz UXJLGEGJSLNJPN-JZXOWHBKSA-N 2 2 390.553 0.929 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421858 1194023416 /nfs/dbraw/zinc/02/34/16/1194023416.db2.gz WILCBQVMUMCOTJ-UHOSZYNNSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421858 1194023418 /nfs/dbraw/zinc/02/34/18/1194023418.db2.gz WILCBQVMUMCOTJ-UHOSZYNNSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411730 1194028913 /nfs/dbraw/zinc/02/89/13/1194028913.db2.gz IEVDYCJRAPMVHG-HOTGVXAUSA-N 2 2 398.454 0.492 20 0 GCADLP CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411730 1194028916 /nfs/dbraw/zinc/02/89/16/1194028916.db2.gz IEVDYCJRAPMVHG-HOTGVXAUSA-N 2 2 398.454 0.492 20 0 GCADLP CCC(CC)[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000501038580 1194042951 /nfs/dbraw/zinc/04/29/51/1194042951.db2.gz WTKMFRXMLORHNG-GOSISDBHSA-N 2 2 397.564 0.587 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419502951 1194046209 /nfs/dbraw/zinc/04/62/09/1194046209.db2.gz GHDFFTKSPUYPSI-OAHLLOKOSA-N 2 2 379.480 0.178 20 0 GCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419503809 1194046668 /nfs/dbraw/zinc/04/66/68/1194046668.db2.gz IHPJGMDSOLRLGF-GOSISDBHSA-N 2 2 391.491 0.274 20 0 GCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419487344 1194048910 /nfs/dbraw/zinc/04/89/10/1194048910.db2.gz BAPXXPPGEITPQN-CVEARBPZSA-N 2 2 391.491 0.260 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419487019 1194048973 /nfs/dbraw/zinc/04/89/73/1194048973.db2.gz AQABUHAHBDBASP-MRXNPFEDSA-N 2 2 391.491 0.180 20 0 GCADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000419676210 1194079925 /nfs/dbraw/zinc/07/99/25/1194079925.db2.gz BIKSVWYBKVAMQK-JCGIZDLHSA-N 2 2 385.468 0.658 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419686448 1194084679 /nfs/dbraw/zinc/08/46/79/1194084679.db2.gz OBIBCLAZJHQIEB-SUYBPPKGSA-N 2 2 391.422 0.928 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419692646 1194086138 /nfs/dbraw/zinc/08/61/38/1194086138.db2.gz YEYYOVHKDPRIKK-QGZVFWFLSA-N 3 2 398.511 0.498 20 0 GCADLP COc1ccc([C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419806980 1194111434 /nfs/dbraw/zinc/11/14/34/1194111434.db2.gz FRNIJWKSRUQPHP-OAHLLOKOSA-N 2 2 384.427 0.659 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419842302 1194118890 /nfs/dbraw/zinc/11/88/90/1194118890.db2.gz BGQQCMBTABZLJA-GOSISDBHSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419842302 1194118893 /nfs/dbraw/zinc/11/88/93/1194118893.db2.gz BGQQCMBTABZLJA-GOSISDBHSA-N 2 2 387.528 0.131 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419845100 1194119789 /nfs/dbraw/zinc/11/97/89/1194119789.db2.gz PJKZIGRBIFAYFP-QRQLOZEOSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419845100 1194119791 /nfs/dbraw/zinc/11/97/91/1194119791.db2.gz PJKZIGRBIFAYFP-QRQLOZEOSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419913638 1194138001 /nfs/dbraw/zinc/13/80/01/1194138001.db2.gz PJKZIGRBIFAYFP-YTQUADARSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419913638 1194138003 /nfs/dbraw/zinc/13/80/03/1194138003.db2.gz PJKZIGRBIFAYFP-YTQUADARSA-N 3 2 393.576 0.650 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419964233 1194148726 /nfs/dbraw/zinc/14/87/26/1194148726.db2.gz WZODVKCWBZBCON-KBAYOESNSA-N 3 2 381.565 0.493 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419964233 1194148728 /nfs/dbraw/zinc/14/87/28/1194148728.db2.gz WZODVKCWBZBCON-KBAYOESNSA-N 3 2 381.565 0.493 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419973242 1194150088 /nfs/dbraw/zinc/15/00/88/1194150088.db2.gz HKFCZDHZCGBDHC-YTQUADARSA-N 3 2 395.592 0.754 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419973242 1194150090 /nfs/dbraw/zinc/15/00/90/1194150090.db2.gz HKFCZDHZCGBDHC-YTQUADARSA-N 3 2 395.592 0.754 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419996062 1194154588 /nfs/dbraw/zinc/15/45/88/1194154588.db2.gz MYAGYUYLVRQAEV-BPQIPLTHSA-N 3 2 381.565 0.636 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419996062 1194154590 /nfs/dbraw/zinc/15/45/90/1194154590.db2.gz MYAGYUYLVRQAEV-BPQIPLTHSA-N 3 2 381.565 0.636 20 0 GCADLP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420024087 1194158141 /nfs/dbraw/zinc/15/81/41/1194158141.db2.gz AEIGIJWNTMSHTI-GUDVDZBRSA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420024087 1194158148 /nfs/dbraw/zinc/15/81/48/1194158148.db2.gz AEIGIJWNTMSHTI-GUDVDZBRSA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420024089 1194158292 /nfs/dbraw/zinc/15/82/92/1194158292.db2.gz AEIGIJWNTMSHTI-OTWHNJEPSA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420024089 1194158293 /nfs/dbraw/zinc/15/82/93/1194158293.db2.gz AEIGIJWNTMSHTI-OTWHNJEPSA-N 3 2 393.576 0.636 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000420032343 1194160718 /nfs/dbraw/zinc/16/07/18/1194160718.db2.gz HWIHTEOVRLKCNR-RRFJBIMHSA-N 2 2 377.489 0.430 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000420015277 1194162157 /nfs/dbraw/zinc/16/21/57/1194162157.db2.gz LRUHTNOYCUGMIF-QAPCUYQASA-N 2 2 376.501 1.000 20 0 GCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)c1C ZINC000420054496 1194169993 /nfs/dbraw/zinc/16/99/93/1194169993.db2.gz HEMPJURUOFMSHH-ZIAGYGMSSA-N 2 2 378.473 0.895 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171513 1194200014 /nfs/dbraw/zinc/20/00/14/1194200014.db2.gz UBUNXGBJBRMKAN-KRWDZBQOSA-N 3 2 381.565 0.365 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171513 1194200018 /nfs/dbraw/zinc/20/00/18/1194200018.db2.gz UBUNXGBJBRMKAN-KRWDZBQOSA-N 3 2 381.565 0.365 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000420174609 1194201347 /nfs/dbraw/zinc/20/13/47/1194201347.db2.gz YUTUIOQAXRDFQK-IXDOHACOSA-N 2 2 380.533 0.450 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000420221024 1194209390 /nfs/dbraw/zinc/20/93/90/1194209390.db2.gz ZQDFJLUIBGNZIK-HZPDHXFCSA-N 2 2 388.516 0.801 20 0 GCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501644612 1194218210 /nfs/dbraw/zinc/21/82/10/1194218210.db2.gz XQXHLOGDGWJUPQ-QZTJIDSGSA-N 2 2 380.533 0.282 20 0 GCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501644612 1194218214 /nfs/dbraw/zinc/21/82/14/1194218214.db2.gz XQXHLOGDGWJUPQ-QZTJIDSGSA-N 2 2 380.533 0.282 20 0 GCADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)NCCCc1ccccc1 ZINC000420395020 1194226648 /nfs/dbraw/zinc/22/66/48/1194226648.db2.gz BKICEZWKDSCORQ-WOJBJXKFSA-N 2 2 399.539 0.956 20 0 GCADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)NCCCc1ccccc1 ZINC000420395020 1194226650 /nfs/dbraw/zinc/22/66/50/1194226650.db2.gz BKICEZWKDSCORQ-WOJBJXKFSA-N 2 2 399.539 0.956 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(=O)[nH]c1=O ZINC000420403194 1194228487 /nfs/dbraw/zinc/22/84/87/1194228487.db2.gz KUGGRPYAEQJZMY-KBPBESRZSA-N 2 2 394.520 0.601 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(=O)[nH]c1=O ZINC000420403194 1194228490 /nfs/dbraw/zinc/22/84/90/1194228490.db2.gz KUGGRPYAEQJZMY-KBPBESRZSA-N 2 2 394.520 0.601 20 0 GCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000434125777 1194250628 /nfs/dbraw/zinc/25/06/28/1194250628.db2.gz UYVRBPWITLVCNG-NVXWUHKLSA-N 2 2 375.473 0.832 20 0 GCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000434125777 1194250632 /nfs/dbraw/zinc/25/06/32/1194250632.db2.gz UYVRBPWITLVCNG-NVXWUHKLSA-N 2 2 375.473 0.832 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000420772158 1194261727 /nfs/dbraw/zinc/26/17/27/1194261727.db2.gz ZJBDWXOMGXOSBW-UHFFFAOYSA-N 2 2 398.548 0.173 20 0 GCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000420769486 1194264010 /nfs/dbraw/zinc/26/40/10/1194264010.db2.gz JADMYQAKQZCBBD-MOPGFXCFSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000420769486 1194264014 /nfs/dbraw/zinc/26/40/14/1194264014.db2.gz JADMYQAKQZCBBD-MOPGFXCFSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000420769486 1194264020 /nfs/dbraw/zinc/26/40/20/1194264020.db2.gz JADMYQAKQZCBBD-MOPGFXCFSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000420769486 1194264023 /nfs/dbraw/zinc/26/40/23/1194264023.db2.gz JADMYQAKQZCBBD-MOPGFXCFSA-N 2 2 388.512 0.556 20 0 GCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420980738 1194278580 /nfs/dbraw/zinc/27/85/80/1194278580.db2.gz XJMGYGQEPPNYII-SFHVURJKSA-N 2 2 375.469 0.772 20 0 GCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420980738 1194278582 /nfs/dbraw/zinc/27/85/82/1194278582.db2.gz XJMGYGQEPPNYII-SFHVURJKSA-N 2 2 375.469 0.772 20 0 GCADLP CNS(=O)(=O)NC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420968695 1194279440 /nfs/dbraw/zinc/27/94/40/1194279440.db2.gz XETVRPPHMDFMNK-UHFFFAOYSA-N 2 2 382.530 0.537 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000421223927 1194311921 /nfs/dbraw/zinc/31/19/21/1194311921.db2.gz KDZPDKGZIFXXGT-SFHVURJKSA-N 2 2 387.484 0.814 20 0 GCADLP CN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502533801 1194330595 /nfs/dbraw/zinc/33/05/95/1194330595.db2.gz YTAGSXZLEUGKSY-XDNAFOTISA-N 2 2 380.533 0.815 20 0 GCADLP CN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502533801 1194330599 /nfs/dbraw/zinc/33/05/99/1194330599.db2.gz YTAGSXZLEUGKSY-XDNAFOTISA-N 2 2 380.533 0.815 20 0 GCADLP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)CC1 ZINC000422102386 1194385137 /nfs/dbraw/zinc/38/51/37/1194385137.db2.gz QYSUAHIZCJQHPL-QGZVFWFLSA-N 2 2 390.532 0.406 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](CC)O1 ZINC000422110760 1194392560 /nfs/dbraw/zinc/39/25/60/1194392560.db2.gz XEKKRDNVDRQBRK-HDICACEKSA-N 2 2 382.549 0.887 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](CC)O1 ZINC000422110760 1194392562 /nfs/dbraw/zinc/39/25/62/1194392562.db2.gz XEKKRDNVDRQBRK-HDICACEKSA-N 2 2 382.549 0.887 20 0 GCADLP COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000414573152 1194394148 /nfs/dbraw/zinc/39/41/48/1194394148.db2.gz RQGFABBZHWQYQY-HXUWFJFHSA-N 2 2 396.532 0.273 20 0 GCADLP COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000414573152 1194394153 /nfs/dbraw/zinc/39/41/53/1194394153.db2.gz RQGFABBZHWQYQY-HXUWFJFHSA-N 2 2 396.532 0.273 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000271799038 1194413435 /nfs/dbraw/zinc/41/34/35/1194413435.db2.gz KVKXVFTZFBOMGH-MRXNPFEDSA-N 2 2 377.489 0.841 20 0 GCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272677454 1194486776 /nfs/dbraw/zinc/48/67/76/1194486776.db2.gz LZZFNGRAAYIIOQ-HNNXBMFYSA-N 2 2 378.473 0.731 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H](C)O1 ZINC000434180262 1194508908 /nfs/dbraw/zinc/50/89/08/1194508908.db2.gz ALIVUFGDGROWEC-KDURUIRLSA-N 2 2 399.580 0.127 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H](C)O1 ZINC000434180262 1194508911 /nfs/dbraw/zinc/50/89/11/1194508911.db2.gz ALIVUFGDGROWEC-KDURUIRLSA-N 2 2 399.580 0.127 20 0 GCADLP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000273375277 1194558958 /nfs/dbraw/zinc/55/89/58/1194558958.db2.gz CIQKDUZDPUOBTK-UHFFFAOYSA-N 2 2 392.500 0.482 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000273413418 1194562213 /nfs/dbraw/zinc/56/22/13/1194562213.db2.gz NCJIUIITLMNIBQ-BJLQDIEVSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000273413418 1194562216 /nfs/dbraw/zinc/56/22/16/1194562216.db2.gz NCJIUIITLMNIBQ-BJLQDIEVSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000273413418 1194562220 /nfs/dbraw/zinc/56/22/20/1194562220.db2.gz NCJIUIITLMNIBQ-BJLQDIEVSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000273413418 1194562225 /nfs/dbraw/zinc/56/22/25/1194562225.db2.gz NCJIUIITLMNIBQ-BJLQDIEVSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000273413430 1194562374 /nfs/dbraw/zinc/56/23/74/1194562374.db2.gz NCJIUIITLMNIBQ-WSTZPKSXSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000273413430 1194562377 /nfs/dbraw/zinc/56/23/77/1194562377.db2.gz NCJIUIITLMNIBQ-WSTZPKSXSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000273413430 1194562380 /nfs/dbraw/zinc/56/23/80/1194562380.db2.gz NCJIUIITLMNIBQ-WSTZPKSXSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000273413430 1194562385 /nfs/dbraw/zinc/56/23/85/1194562385.db2.gz NCJIUIITLMNIBQ-WSTZPKSXSA-N 2 2 390.528 0.984 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000503238461 1194595787 /nfs/dbraw/zinc/59/57/87/1194595787.db2.gz IQPFIZCOOBTGIX-HUUCEWRRSA-N 2 2 383.537 0.384 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000422282580 1194600493 /nfs/dbraw/zinc/60/04/93/1194600493.db2.gz ZHKJJNKKVNAVKZ-KRWDZBQOSA-N 2 2 398.548 0.029 20 0 GCADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000422283785 1194602546 /nfs/dbraw/zinc/60/25/46/1194602546.db2.gz HCDPBLMAPSWEIE-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000422283785 1194602548 /nfs/dbraw/zinc/60/25/48/1194602548.db2.gz HCDPBLMAPSWEIE-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422283785 1194602551 /nfs/dbraw/zinc/60/25/51/1194602551.db2.gz HCDPBLMAPSWEIE-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422283785 1194602553 /nfs/dbraw/zinc/60/25/53/1194602553.db2.gz HCDPBLMAPSWEIE-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000503270632 1194611551 /nfs/dbraw/zinc/61/15/51/1194611551.db2.gz TXKVCEROLVPHSX-KRWDZBQOSA-N 2 2 383.537 0.243 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000422372455 1194625245 /nfs/dbraw/zinc/62/52/45/1194625245.db2.gz CISLIZKTBZRYCJ-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000422372455 1194625249 /nfs/dbraw/zinc/62/52/49/1194625249.db2.gz CISLIZKTBZRYCJ-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1C[NH3+] ZINC000422633884 1194679354 /nfs/dbraw/zinc/67/93/54/1194679354.db2.gz IYSWEPJWHGLUNK-VNHYZAJKSA-N 2 2 380.514 0.528 20 0 GCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1C[NH3+] ZINC000422633884 1194679356 /nfs/dbraw/zinc/67/93/56/1194679356.db2.gz IYSWEPJWHGLUNK-VNHYZAJKSA-N 2 2 380.514 0.528 20 0 GCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422844388 1194704184 /nfs/dbraw/zinc/70/41/84/1194704184.db2.gz LPKAFRJODIFSSS-YJBOKZPZSA-N 2 2 375.473 0.004 20 0 GCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985992 1194715450 /nfs/dbraw/zinc/71/54/50/1194715450.db2.gz GFZFCIPOZSPLRX-FGTMMUONSA-N 2 2 390.532 0.639 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423029545 1194719744 /nfs/dbraw/zinc/71/97/44/1194719744.db2.gz IHTZWCCCQCPBHG-FQEVSTJZSA-N 2 2 388.516 0.754 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000423056902 1194722502 /nfs/dbraw/zinc/72/25/02/1194722502.db2.gz ZAAUVMZLPPQSOS-QGZVFWFLSA-N 2 2 394.903 0.560 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000423056902 1194722503 /nfs/dbraw/zinc/72/25/03/1194722503.db2.gz ZAAUVMZLPPQSOS-QGZVFWFLSA-N 2 2 394.903 0.560 20 0 GCADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000414714786 1194722732 /nfs/dbraw/zinc/72/27/32/1194722732.db2.gz VRGLTXKGGBXZRD-UHFFFAOYSA-N 2 2 381.436 0.851 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@@H](C)[NH2+]1 ZINC000423182798 1194733343 /nfs/dbraw/zinc/73/33/43/1194733343.db2.gz FNEKCNBIVLFCJJ-ZIAGYGMSSA-N 2 2 394.438 0.308 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C[C@H](C)O1 ZINC000423322060 1194746236 /nfs/dbraw/zinc/74/62/36/1194746236.db2.gz IKYFPLBSEVSJLX-SOLBZPMBSA-N 2 2 394.560 0.791 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C[C@H](C)O1 ZINC000423322060 1194746238 /nfs/dbraw/zinc/74/62/38/1194746238.db2.gz IKYFPLBSEVSJLX-SOLBZPMBSA-N 2 2 394.560 0.791 20 0 GCADLP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423530539 1194761625 /nfs/dbraw/zinc/76/16/25/1194761625.db2.gz PPGBOLQLGSYKTK-ZWKOTPCHSA-N 3 2 379.549 0.214 20 0 GCADLP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423530539 1194761626 /nfs/dbraw/zinc/76/16/26/1194761626.db2.gz PPGBOLQLGSYKTK-ZWKOTPCHSA-N 3 2 379.549 0.214 20 0 GCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523049 1194763114 /nfs/dbraw/zinc/76/31/14/1194763114.db2.gz MVTNZEJIROWCBW-RDJZCZTQSA-N 3 2 384.546 0.556 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)[C@H](C)C1 ZINC000423538164 1194764982 /nfs/dbraw/zinc/76/49/82/1194764982.db2.gz LZZGGENAOYXEBJ-OAHLLOKOSA-N 2 2 394.516 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)[C@H](C)C1 ZINC000423538164 1194764986 /nfs/dbraw/zinc/76/49/86/1194764986.db2.gz LZZGGENAOYXEBJ-OAHLLOKOSA-N 2 2 394.516 0.073 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000423665306 1194781535 /nfs/dbraw/zinc/78/15/35/1194781535.db2.gz HEDHCDZTESMMKH-GBESFXJTSA-N 2 2 388.512 0.336 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000423665306 1194781537 /nfs/dbraw/zinc/78/15/37/1194781537.db2.gz HEDHCDZTESMMKH-GBESFXJTSA-N 2 2 388.512 0.336 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000423664519 1194781542 /nfs/dbraw/zinc/78/15/42/1194781542.db2.gz IJFGRWMKEZDFHH-CALCHBBNSA-N 2 2 376.501 0.542 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000423664519 1194781545 /nfs/dbraw/zinc/78/15/45/1194781545.db2.gz IJFGRWMKEZDFHH-CALCHBBNSA-N 2 2 376.501 0.542 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000423665328 1194781637 /nfs/dbraw/zinc/78/16/37/1194781637.db2.gz HFEZHHFJZRHKKY-CVEARBPZSA-N 2 2 388.516 0.753 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000423665332 1194781680 /nfs/dbraw/zinc/78/16/80/1194781680.db2.gz HFEZHHFJZRHKKY-JKSUJKDBSA-N 2 2 388.516 0.753 20 0 GCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000423705677 1194786768 /nfs/dbraw/zinc/78/67/68/1194786768.db2.gz LLPSIMCFHJWWRK-ROUUACIJSA-N 2 2 388.512 0.967 20 0 GCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000423705677 1194786771 /nfs/dbraw/zinc/78/67/71/1194786771.db2.gz LLPSIMCFHJWWRK-ROUUACIJSA-N 2 2 388.512 0.967 20 0 GCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000423705587 1194786812 /nfs/dbraw/zinc/78/68/12/1194786812.db2.gz LLPSIMCFHJWWRK-QZTJIDSGSA-N 2 2 388.512 0.967 20 0 GCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000423705587 1194786815 /nfs/dbraw/zinc/78/68/15/1194786815.db2.gz LLPSIMCFHJWWRK-QZTJIDSGSA-N 2 2 388.512 0.967 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423720055 1194788762 /nfs/dbraw/zinc/78/87/62/1194788762.db2.gz CXZSRZSXRBXDIU-RTBURBONSA-N 2 2 394.560 0.936 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000423733354 1194792204 /nfs/dbraw/zinc/79/22/04/1194792204.db2.gz PUCKGPFBXIHLNP-ROUUACIJSA-N 2 2 380.533 0.548 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c(=O)[nH]c1=O ZINC000647934936 1194805269 /nfs/dbraw/zinc/80/52/69/1194805269.db2.gz VCCUEWLLWLNMBV-ZIAGYGMSSA-N 2 2 394.520 0.743 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c(=O)[nH]c1=O ZINC000647934936 1194805272 /nfs/dbraw/zinc/80/52/72/1194805272.db2.gz VCCUEWLLWLNMBV-ZIAGYGMSSA-N 2 2 394.520 0.743 20 0 GCADLP C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000505003874 1194819967 /nfs/dbraw/zinc/81/99/67/1194819967.db2.gz YZOLMLLYFMCIEM-UHFFFAOYSA-N 2 2 392.504 0.002 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424547780 1194823496 /nfs/dbraw/zinc/82/34/96/1194823496.db2.gz KMAVEAOAOYEXCE-SJORKVTESA-N 2 2 380.533 0.450 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424547772 1194823664 /nfs/dbraw/zinc/82/36/64/1194823664.db2.gz KMAVEAOAOYEXCE-DLBZAZTESA-N 2 2 380.533 0.450 20 0 GCADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000435132075 1194891561 /nfs/dbraw/zinc/89/15/61/1194891561.db2.gz HDFQRZJQPMBFDG-SJORKVTESA-N 2 2 381.521 0.078 20 0 GCADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000435132075 1194891564 /nfs/dbraw/zinc/89/15/64/1194891564.db2.gz HDFQRZJQPMBFDG-SJORKVTESA-N 2 2 381.521 0.078 20 0 GCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000435132075 1194891567 /nfs/dbraw/zinc/89/15/67/1194891567.db2.gz HDFQRZJQPMBFDG-SJORKVTESA-N 2 2 381.521 0.078 20 0 GCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000435132075 1194891569 /nfs/dbraw/zinc/89/15/69/1194891569.db2.gz HDFQRZJQPMBFDG-SJORKVTESA-N 2 2 381.521 0.078 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000514752981 1194903843 /nfs/dbraw/zinc/90/38/43/1194903843.db2.gz BEUAKQGJUGFSLH-KRWDZBQOSA-N 2 2 396.919 0.850 20 0 GCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000514946616 1194929538 /nfs/dbraw/zinc/92/95/38/1194929538.db2.gz NWBQGTZFXUBJTG-UHFFFAOYSA-N 2 2 389.500 0.001 20 0 GCADLP C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435616807 1194947405 /nfs/dbraw/zinc/94/74/05/1194947405.db2.gz LMEXBCQPYPZOQY-QGZVFWFLSA-N 2 2 394.541 0.593 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435616807 1194947409 /nfs/dbraw/zinc/94/74/09/1194947409.db2.gz LMEXBCQPYPZOQY-QGZVFWFLSA-N 2 2 394.541 0.593 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000515310908 1194967734 /nfs/dbraw/zinc/96/77/34/1194967734.db2.gz ZHBLEQYDNPGPLD-IBGZPJMESA-N 3 2 393.576 0.639 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000515310908 1194967735 /nfs/dbraw/zinc/96/77/35/1194967735.db2.gz ZHBLEQYDNPGPLD-IBGZPJMESA-N 3 2 393.576 0.639 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000436047010 1194982094 /nfs/dbraw/zinc/98/20/94/1194982094.db2.gz CBCHNPGJQUVQIJ-HNNXBMFYSA-N 2 2 376.457 0.716 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000436047010 1194982096 /nfs/dbraw/zinc/98/20/96/1194982096.db2.gz CBCHNPGJQUVQIJ-HNNXBMFYSA-N 2 2 376.457 0.716 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000436047011 1194982292 /nfs/dbraw/zinc/98/22/92/1194982292.db2.gz CBCHNPGJQUVQIJ-OAHLLOKOSA-N 2 2 376.457 0.716 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000436047011 1194982294 /nfs/dbraw/zinc/98/22/94/1194982294.db2.gz CBCHNPGJQUVQIJ-OAHLLOKOSA-N 2 2 376.457 0.716 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000664552974 1195002673 /nfs/dbraw/zinc/00/26/73/1195002673.db2.gz WONBSXQWKWVSNK-CVEARBPZSA-N 2 2 379.505 0.930 20 0 GCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000664552974 1195002677 /nfs/dbraw/zinc/00/26/77/1195002677.db2.gz WONBSXQWKWVSNK-CVEARBPZSA-N 2 2 379.505 0.930 20 0 GCADLP Cn1cc([C@@H](CO)[NH2+]CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cn1 ZINC000366644875 1195016412 /nfs/dbraw/zinc/01/64/12/1195016412.db2.gz RNGLCDHSGOAAEJ-QGZVFWFLSA-N 2 2 379.505 0.194 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000516805637 1195097178 /nfs/dbraw/zinc/09/71/78/1195097178.db2.gz RIRVLQHWPDQQQL-MRXNPFEDSA-N 2 2 396.532 0.320 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000516805637 1195097183 /nfs/dbraw/zinc/09/71/83/1195097183.db2.gz RIRVLQHWPDQQQL-MRXNPFEDSA-N 2 2 396.532 0.320 20 0 GCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1 ZINC000414901841 1195097287 /nfs/dbraw/zinc/09/72/87/1195097287.db2.gz GZMCLTLXUIKWFU-AWEZNQCLSA-N 2 2 376.457 0.440 20 0 GCADLP CCn1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1=O ZINC000437443633 1195109842 /nfs/dbraw/zinc/10/98/42/1195109842.db2.gz CWWOUVUXBQFYTR-UHFFFAOYSA-N 2 2 377.489 0.291 20 0 GCADLP CCn1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1=O ZINC000437443633 1195109846 /nfs/dbraw/zinc/10/98/46/1195109846.db2.gz CWWOUVUXBQFYTR-UHFFFAOYSA-N 2 2 377.489 0.291 20 0 GCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cc1 ZINC000414905680 1195113257 /nfs/dbraw/zinc/11/32/57/1195113257.db2.gz OPNVTUDSEWWNBI-AWEZNQCLSA-N 2 2 376.457 0.440 20 0 GCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)C1CC1 ZINC000517025075 1195125835 /nfs/dbraw/zinc/12/58/35/1195125835.db2.gz QSPSUTOSZKDNPP-LJQANCHMSA-N 2 2 397.541 0.393 20 0 GCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)C1CC1 ZINC000517025075 1195125844 /nfs/dbraw/zinc/12/58/44/1195125844.db2.gz QSPSUTOSZKDNPP-LJQANCHMSA-N 2 2 397.541 0.393 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000517103350 1195136405 /nfs/dbraw/zinc/13/64/05/1195136405.db2.gz ZONXJYGTQAJYRL-UHFFFAOYSA-N 2 2 388.516 0.673 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000425870418 1195142787 /nfs/dbraw/zinc/14/27/87/1195142787.db2.gz WGZNJOYLCHGNIZ-GOSISDBHSA-N 2 2 390.528 0.975 20 0 GCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414912998 1195149547 /nfs/dbraw/zinc/14/95/47/1195149547.db2.gz ZFUSURSDFLTPFS-KBPBESRZSA-N 2 2 376.457 0.741 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000425887295 1195151704 /nfs/dbraw/zinc/15/17/04/1195151704.db2.gz RCHCGAYYCSKELI-UHFFFAOYSA-N 2 2 390.528 0.804 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000425887295 1195151705 /nfs/dbraw/zinc/15/17/05/1195151705.db2.gz RCHCGAYYCSKELI-UHFFFAOYSA-N 2 2 390.528 0.804 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000425911022 1195165400 /nfs/dbraw/zinc/16/54/00/1195165400.db2.gz ZUGQJGSNEHONOG-KRWDZBQOSA-N 2 2 380.533 0.689 20 0 GCADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438328940 1195205748 /nfs/dbraw/zinc/20/57/48/1195205748.db2.gz OMBJLUBSPMEFFZ-DLBZAZTESA-N 2 2 378.521 1.457 20 0 GCADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438328940 1195205753 /nfs/dbraw/zinc/20/57/53/1195205753.db2.gz OMBJLUBSPMEFFZ-DLBZAZTESA-N 2 2 378.521 1.457 20 0 GCADLP C[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C[NH+]1CCCCC1 ZINC000438363785 1195209759 /nfs/dbraw/zinc/20/97/59/1195209759.db2.gz HUPWJJLNJVDKQI-KRWDZBQOSA-N 2 2 378.521 1.459 20 0 GCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000517746770 1195214169 /nfs/dbraw/zinc/21/41/69/1195214169.db2.gz YMPBGNWXMVXEPG-UHFFFAOYSA-N 2 2 381.521 0.047 20 0 GCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000517746770 1195214176 /nfs/dbraw/zinc/21/41/76/1195214176.db2.gz YMPBGNWXMVXEPG-UHFFFAOYSA-N 2 2 381.521 0.047 20 0 GCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000517914186 1195229210 /nfs/dbraw/zinc/22/92/10/1195229210.db2.gz JHCDROKCLMTOOR-INIZCTEOSA-N 2 2 376.505 0.353 20 0 GCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000517914186 1195229212 /nfs/dbraw/zinc/22/92/12/1195229212.db2.gz JHCDROKCLMTOOR-INIZCTEOSA-N 2 2 376.505 0.353 20 0 GCADLP CSC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000426378355 1195319802 /nfs/dbraw/zinc/31/98/02/1195319802.db2.gz LNHPWYYNRRPHTN-UHFFFAOYSA-N 2 2 382.574 0.969 20 0 GCADLP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000298254453 1195363984 /nfs/dbraw/zinc/36/39/84/1195363984.db2.gz LSQUYBNZPJBTGM-QGZVFWFLSA-N 2 2 388.537 0.908 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000653392864 1195376589 /nfs/dbraw/zinc/37/65/89/1195376589.db2.gz MWCPXQOVYDRPNY-OALUTQOASA-N 2 2 388.512 0.209 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000653392864 1195376593 /nfs/dbraw/zinc/37/65/93/1195376593.db2.gz MWCPXQOVYDRPNY-OALUTQOASA-N 2 2 388.512 0.209 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000653392864 1195376597 /nfs/dbraw/zinc/37/65/97/1195376597.db2.gz MWCPXQOVYDRPNY-OALUTQOASA-N 2 2 388.512 0.209 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000653392864 1195376601 /nfs/dbraw/zinc/37/66/01/1195376601.db2.gz MWCPXQOVYDRPNY-OALUTQOASA-N 2 2 388.512 0.209 20 0 GCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000440262365 1195396951 /nfs/dbraw/zinc/39/69/51/1195396951.db2.gz BTBAHHYULTXDME-QGZVFWFLSA-N 2 2 387.528 0.925 20 0 GCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000440262365 1195396954 /nfs/dbraw/zinc/39/69/54/1195396954.db2.gz BTBAHHYULTXDME-QGZVFWFLSA-N 2 2 387.528 0.925 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](CC)CO1 ZINC000653398093 1195410797 /nfs/dbraw/zinc/41/07/97/1195410797.db2.gz HAVDSUXKNIOLLG-XYJFISCASA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](CC)CO1 ZINC000653398093 1195410799 /nfs/dbraw/zinc/41/07/99/1195410799.db2.gz HAVDSUXKNIOLLG-XYJFISCASA-N 2 2 380.533 0.687 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000550103738 1195436747 /nfs/dbraw/zinc/43/67/47/1195436747.db2.gz SARCCRVFESGIMB-QGZVFWFLSA-N 2 2 396.532 0.320 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000550103738 1195436748 /nfs/dbraw/zinc/43/67/48/1195436748.db2.gz SARCCRVFESGIMB-QGZVFWFLSA-N 2 2 396.532 0.320 20 0 GCADLP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894559647 1195443260 /nfs/dbraw/zinc/44/32/60/1195443260.db2.gz PCTGXMRLMLXAGH-INIZCTEOSA-N 2 2 397.527 0.909 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@@H]1[NH+](C)C ZINC000519556675 1195445473 /nfs/dbraw/zinc/44/54/73/1195445473.db2.gz PCJKMOFIVAKSTN-WMZOPIPTSA-N 2 2 383.496 0.999 20 0 GCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550181310 1195455216 /nfs/dbraw/zinc/45/52/16/1195455216.db2.gz RYBMQMIPGQFJNC-IXDOHACOSA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550181310 1195455219 /nfs/dbraw/zinc/45/52/19/1195455219.db2.gz RYBMQMIPGQFJNC-IXDOHACOSA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550181310 1195455222 /nfs/dbraw/zinc/45/52/22/1195455222.db2.gz RYBMQMIPGQFJNC-IXDOHACOSA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550181310 1195455225 /nfs/dbraw/zinc/45/52/25/1195455225.db2.gz RYBMQMIPGQFJNC-IXDOHACOSA-N 2 2 382.549 0.789 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000550192122 1195456715 /nfs/dbraw/zinc/45/67/15/1195456715.db2.gz YAESTZVCNOBSBQ-HUUCEWRRSA-N 2 2 380.533 0.733 20 0 GCADLP CN(C(=O)C(=O)NCc1cc[nH]n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550203287 1195460426 /nfs/dbraw/zinc/46/04/26/1195460426.db2.gz AJKCVCSTHBYFKV-ROUUACIJSA-N 2 2 390.532 0.822 20 0 GCADLP CN(C(=O)C(=O)NCc1cc[nH]n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550203287 1195460429 /nfs/dbraw/zinc/46/04/29/1195460429.db2.gz AJKCVCSTHBYFKV-ROUUACIJSA-N 2 2 390.532 0.822 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000550266685 1195473063 /nfs/dbraw/zinc/47/30/63/1195473063.db2.gz YVFWVYNCPSJBEU-CQSZACIVSA-N 2 2 396.532 0.508 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000550266685 1195473066 /nfs/dbraw/zinc/47/30/66/1195473066.db2.gz YVFWVYNCPSJBEU-CQSZACIVSA-N 2 2 396.532 0.508 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550264749 1195474096 /nfs/dbraw/zinc/47/40/96/1195474096.db2.gz HTUDHMAVYGCWLH-UHFFFAOYSA-N 2 2 382.549 0.981 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550264749 1195474098 /nfs/dbraw/zinc/47/40/98/1195474098.db2.gz HTUDHMAVYGCWLH-UHFFFAOYSA-N 2 2 382.549 0.981 20 0 GCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c(=O)n(C)c1=O ZINC000647966007 1195480725 /nfs/dbraw/zinc/48/07/25/1195480725.db2.gz JNUMHUBYYOFDFV-UHFFFAOYSA-N 2 2 393.532 0.809 20 0 GCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c(=O)n(C)c1=O ZINC000647966007 1195480729 /nfs/dbraw/zinc/48/07/29/1195480729.db2.gz JNUMHUBYYOFDFV-UHFFFAOYSA-N 2 2 393.532 0.809 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550278587 1195482850 /nfs/dbraw/zinc/48/28/50/1195482850.db2.gz XAFAFBHUMWKVFU-MSOLQXFVSA-N 2 2 382.549 0.840 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550278587 1195482852 /nfs/dbraw/zinc/48/28/52/1195482852.db2.gz XAFAFBHUMWKVFU-MSOLQXFVSA-N 2 2 382.549 0.840 20 0 GCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000507468789 1195524493 /nfs/dbraw/zinc/52/44/93/1195524493.db2.gz IKPGWYOTJLOHQD-HDMKZQKVSA-N 2 2 392.504 0.132 20 0 GCADLP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000507468791 1195524660 /nfs/dbraw/zinc/52/46/60/1195524660.db2.gz IKPGWYOTJLOHQD-IIDMSEBBSA-N 2 2 392.504 0.132 20 0 GCADLP O=C(CC[N@@H+]1CCC[C@H](N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000519612605 1195541941 /nfs/dbraw/zinc/54/19/41/1195541941.db2.gz OMKMOOOVPZSYMG-IBGZPJMESA-N 2 2 387.528 0.917 20 0 GCADLP O=C(CC[N@H+]1CCC[C@H](N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000519612605 1195541944 /nfs/dbraw/zinc/54/19/44/1195541944.db2.gz OMKMOOOVPZSYMG-IBGZPJMESA-N 2 2 387.528 0.917 20 0 GCADLP C[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)(N2CCOCC2)CC1 ZINC000333982555 1195557224 /nfs/dbraw/zinc/55/72/24/1195557224.db2.gz CYNWDRSLERJGNF-LJQANCHMSA-N 2 2 394.560 0.543 20 0 GCADLP C[NH+]1CCC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)(N2CCOCC2)CC1 ZINC000333982555 1195557226 /nfs/dbraw/zinc/55/72/26/1195557226.db2.gz CYNWDRSLERJGNF-LJQANCHMSA-N 2 2 394.560 0.543 20 0 GCADLP COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000440546141 1195562373 /nfs/dbraw/zinc/56/23/73/1195562373.db2.gz WPKKXMPUFDMGDL-HXUWFJFHSA-N 2 2 377.485 0.889 20 0 GCADLP O=S1(=O)CCC(O)(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000519764091 1195568248 /nfs/dbraw/zinc/56/82/48/1195568248.db2.gz HFBPTRWPOASLNJ-UHFFFAOYSA-N 2 2 398.525 0.427 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550318196 1195590317 /nfs/dbraw/zinc/59/03/17/1195590317.db2.gz SYXCXTDXLPCVNJ-UHFFFAOYSA-N 2 2 399.539 0.668 20 0 GCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000520227570 1195608277 /nfs/dbraw/zinc/60/82/77/1195608277.db2.gz OYRUZASHZKFYKQ-CABCVRRESA-N 2 2 378.439 0.582 20 0 GCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000520227570 1195608279 /nfs/dbraw/zinc/60/82/79/1195608279.db2.gz OYRUZASHZKFYKQ-CABCVRRESA-N 2 2 378.439 0.582 20 0 GCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000441240066 1195613788 /nfs/dbraw/zinc/61/37/88/1195613788.db2.gz AFAQJLVWXXDJKS-FGTMMUONSA-N 2 2 382.549 0.397 20 0 GCADLP CC(C)[NH+](CCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000550348651 1195640596 /nfs/dbraw/zinc/64/05/96/1195640596.db2.gz QPNIHNFBXRLJHL-UHFFFAOYSA-N 3 2 395.592 0.896 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000550356240 1195641775 /nfs/dbraw/zinc/64/17/75/1195641775.db2.gz MJLXJEFDEPAKAB-HKUYNNGSSA-N 2 2 394.560 0.983 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000550356240 1195641777 /nfs/dbraw/zinc/64/17/77/1195641777.db2.gz MJLXJEFDEPAKAB-HKUYNNGSSA-N 2 2 394.560 0.983 20 0 GCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000550358459 1195643893 /nfs/dbraw/zinc/64/38/93/1195643893.db2.gz APWSYDFUKSBMMI-ROUUACIJSA-N 2 2 382.549 0.698 20 0 GCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000550358459 1195643895 /nfs/dbraw/zinc/64/38/95/1195643895.db2.gz APWSYDFUKSBMMI-ROUUACIJSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000550361406 1195645491 /nfs/dbraw/zinc/64/54/91/1195645491.db2.gz FDPNUHIVJGKODN-KZNAEPCWSA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000550361406 1195645494 /nfs/dbraw/zinc/64/54/94/1195645494.db2.gz FDPNUHIVJGKODN-KZNAEPCWSA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000550382020 1195649872 /nfs/dbraw/zinc/64/98/72/1195649872.db2.gz PQTWTUQIDJCBMS-LJQANCHMSA-N 2 2 393.576 0.461 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000550382020 1195649874 /nfs/dbraw/zinc/64/98/74/1195649874.db2.gz PQTWTUQIDJCBMS-LJQANCHMSA-N 2 2 393.576 0.461 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000550383623 1195651628 /nfs/dbraw/zinc/65/16/28/1195651628.db2.gz OHULIJYMTFQVNK-GOSISDBHSA-N 2 2 381.565 0.223 20 0 GCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000550383322 1195651682 /nfs/dbraw/zinc/65/16/82/1195651682.db2.gz GMINURIGIKHILR-QYZOEREBSA-N 2 2 393.576 0.460 20 0 GCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000550383322 1195651685 /nfs/dbraw/zinc/65/16/85/1195651685.db2.gz GMINURIGIKHILR-QYZOEREBSA-N 2 2 393.576 0.460 20 0 GCADLP C[C@H](CNc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)ncn1)N1CC[NH+](C)CC1 ZINC000123530036 1195652297 /nfs/dbraw/zinc/65/22/97/1195652297.db2.gz HSNGISKHHIFRCN-QZTJIDSGSA-N 2 2 390.580 0.572 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC000550388084 1195653642 /nfs/dbraw/zinc/65/36/42/1195653642.db2.gz KMXREOUKVOFCFK-OAHLLOKOSA-N 2 2 382.505 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC000550388084 1195653645 /nfs/dbraw/zinc/65/36/45/1195653645.db2.gz KMXREOUKVOFCFK-OAHLLOKOSA-N 2 2 382.505 0.073 20 0 GCADLP CC(=O)N1CCN(C(=O)C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000328608036 1195657030 /nfs/dbraw/zinc/65/70/30/1195657030.db2.gz LRDXLIGCNBQKIF-UHFFFAOYSA-N 2 2 379.549 0.168 20 0 GCADLP CC1CC[NH+](CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000520436033 1195675892 /nfs/dbraw/zinc/67/58/92/1195675892.db2.gz UFDKQIGQSDUIDW-ZWKOTPCHSA-N 2 2 380.533 0.594 20 0 GCADLP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000639024069 1195744759 /nfs/dbraw/zinc/74/47/59/1195744759.db2.gz NPVIROJINZJWLD-SJLPKXTDSA-N 2 2 386.496 0.331 20 0 GCADLP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000074654627 1195750412 /nfs/dbraw/zinc/75/04/12/1195750412.db2.gz HNJAWDPJTXIOQL-MOPGFXCFSA-N 2 2 381.565 0.624 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000080068160 1195765110 /nfs/dbraw/zinc/76/51/10/1195765110.db2.gz OREKMLKBBFYAOW-UHFFFAOYSA-N 2 2 375.521 0.582 20 0 GCADLP [NH3+]C1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCCCC1 ZINC000521003843 1195778464 /nfs/dbraw/zinc/77/84/64/1195778464.db2.gz BPRIMJDEJLNAOA-UHFFFAOYSA-N 2 2 375.521 0.950 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000520597503 1195796383 /nfs/dbraw/zinc/79/63/83/1195796383.db2.gz QBJYEADBIKIAEO-GOSISDBHSA-N 2 2 393.532 0.788 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000520597503 1195796385 /nfs/dbraw/zinc/79/63/85/1195796385.db2.gz QBJYEADBIKIAEO-GOSISDBHSA-N 2 2 393.532 0.788 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000520597503 1195796387 /nfs/dbraw/zinc/79/63/87/1195796387.db2.gz QBJYEADBIKIAEO-GOSISDBHSA-N 2 2 393.532 0.788 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000520597503 1195796390 /nfs/dbraw/zinc/79/63/90/1195796390.db2.gz QBJYEADBIKIAEO-GOSISDBHSA-N 2 2 393.532 0.788 20 0 GCADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000579593956 1195835944 /nfs/dbraw/zinc/83/59/44/1195835944.db2.gz NESIKSXMRHSVPD-MRXNPFEDSA-N 2 2 376.457 0.731 20 0 GCADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000579593956 1195835946 /nfs/dbraw/zinc/83/59/46/1195835946.db2.gz NESIKSXMRHSVPD-MRXNPFEDSA-N 2 2 376.457 0.731 20 0 GCADLP O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000428039612 1195905018 /nfs/dbraw/zinc/90/50/18/1195905018.db2.gz SIGBUGDZBGNIKY-PMACEKPBSA-N 2 2 384.524 0.950 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428027785 1195905516 /nfs/dbraw/zinc/90/55/16/1195905516.db2.gz BVUVELKJXZHFEA-UNEWFSDZSA-N 2 2 380.514 0.065 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428027785 1195905517 /nfs/dbraw/zinc/90/55/17/1195905517.db2.gz BVUVELKJXZHFEA-UNEWFSDZSA-N 2 2 380.514 0.065 20 0 GCADLP CC[C@H]1C[N@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000428059686 1195906603 /nfs/dbraw/zinc/90/66/03/1195906603.db2.gz RIBKYEUIKCYOBC-SFHVURJKSA-N 2 2 375.517 0.821 20 0 GCADLP CC[C@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000428059686 1195906605 /nfs/dbraw/zinc/90/66/05/1195906605.db2.gz RIBKYEUIKCYOBC-SFHVURJKSA-N 2 2 375.517 0.821 20 0 GCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000520793930 1195908860 /nfs/dbraw/zinc/90/88/60/1195908860.db2.gz SZZYLELDQZPETG-NVXWUHKLSA-N 2 2 383.514 0.564 20 0 GCADLP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3nc4c(s3)C[N@H+](C)CC4)C[C@H]21 ZINC001270978767 1195928701 /nfs/dbraw/zinc/92/87/01/1195928701.db2.gz WHBDTCBFMZOVHX-CABCVRRESA-N 2 2 379.530 0.218 20 0 GCADLP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3nc4c(s3)C[N@@H+](C)CC4)C[C@H]21 ZINC001270978767 1195928703 /nfs/dbraw/zinc/92/87/03/1195928703.db2.gz WHBDTCBFMZOVHX-CABCVRRESA-N 2 2 379.530 0.218 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000441980279 1195936090 /nfs/dbraw/zinc/93/60/90/1195936090.db2.gz RYTGSJALQUUQCL-QGZVFWFLSA-N 2 2 399.495 0.366 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000441980279 1195936092 /nfs/dbraw/zinc/93/60/92/1195936092.db2.gz RYTGSJALQUUQCL-QGZVFWFLSA-N 2 2 399.495 0.366 20 0 GCADLP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000520980529 1195949022 /nfs/dbraw/zinc/94/90/22/1195949022.db2.gz GZHRDSPXRAXAIU-CVEARBPZSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000442167137 1195959323 /nfs/dbraw/zinc/95/93/23/1195959323.db2.gz XSQCHJABIWOGPX-APWZRJJASA-N 2 2 387.528 0.971 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@H+]1C ZINC000442167137 1195959327 /nfs/dbraw/zinc/95/93/27/1195959327.db2.gz XSQCHJABIWOGPX-APWZRJJASA-N 2 2 387.528 0.971 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000442292407 1195972852 /nfs/dbraw/zinc/97/28/52/1195972852.db2.gz MMLUEZKQAQKLCH-SJORKVTESA-N 2 2 387.528 0.924 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000442292407 1195972853 /nfs/dbraw/zinc/97/28/53/1195972853.db2.gz MMLUEZKQAQKLCH-SJORKVTESA-N 2 2 387.528 0.924 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000442329907 1195976929 /nfs/dbraw/zinc/97/69/29/1195976929.db2.gz FMEFXJHXEYUPBI-AWEZNQCLSA-N 2 2 387.484 0.932 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000442329907 1195976930 /nfs/dbraw/zinc/97/69/30/1195976930.db2.gz FMEFXJHXEYUPBI-AWEZNQCLSA-N 2 2 387.484 0.932 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000521339117 1195988866 /nfs/dbraw/zinc/98/88/66/1195988866.db2.gz MIHXPNHCOGLNMZ-UHFFFAOYSA-N 2 2 383.537 0.339 20 0 GCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000521442368 1195995523 /nfs/dbraw/zinc/99/55/23/1195995523.db2.gz CCRXHTCOYMETHG-FQEVSTJZSA-N 3 2 395.592 0.741 20 0 GCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442762763 1196001305 /nfs/dbraw/zinc/00/13/05/1196001305.db2.gz AFMNEBPNGHPXQW-LSDHHAIUSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442762763 1196001308 /nfs/dbraw/zinc/00/13/08/1196001308.db2.gz AFMNEBPNGHPXQW-LSDHHAIUSA-N 2 2 396.513 0.315 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000550512429 1196069357 /nfs/dbraw/zinc/06/93/57/1196069357.db2.gz DDHRRLKSLZGNCR-SFHVURJKSA-N 2 2 380.533 0.546 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000550512429 1196069359 /nfs/dbraw/zinc/06/93/59/1196069359.db2.gz DDHRRLKSLZGNCR-SFHVURJKSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000550549388 1196083652 /nfs/dbraw/zinc/08/36/52/1196083652.db2.gz BQTYEUSZHUWPCU-GOSISDBHSA-N 2 2 385.468 0.385 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000550549388 1196083655 /nfs/dbraw/zinc/08/36/55/1196083655.db2.gz BQTYEUSZHUWPCU-GOSISDBHSA-N 2 2 385.468 0.385 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](CC)C[C@H]3C)[nH]n2)[C@H](C)C1 ZINC000614708758 1196091067 /nfs/dbraw/zinc/09/10/67/1196091067.db2.gz AWGIRMUZKZIABQ-HUUCEWRRSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](CC)C[C@H]3C)[nH]n2)[C@H](C)C1 ZINC000614708758 1196091068 /nfs/dbraw/zinc/09/10/68/1196091068.db2.gz AWGIRMUZKZIABQ-HUUCEWRRSA-N 2 2 376.505 0.742 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H](C)O1 ZINC000550576531 1196091967 /nfs/dbraw/zinc/09/19/67/1196091967.db2.gz HLLHVUYFGQWWEB-HZPDHXFCSA-N 2 2 380.533 0.545 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000896279011 1196140525 /nfs/dbraw/zinc/14/05/25/1196140525.db2.gz YLZGVLQPFNLAHJ-QGZVFWFLSA-N 2 2 376.505 0.849 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000896279011 1196140530 /nfs/dbraw/zinc/14/05/30/1196140530.db2.gz YLZGVLQPFNLAHJ-QGZVFWFLSA-N 2 2 376.505 0.849 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)C2)CC1 ZINC000896324869 1196142731 /nfs/dbraw/zinc/14/27/31/1196142731.db2.gz KPYTYNKUBCQORK-SZMVWBNQSA-N 2 2 381.517 0.972 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)C2)CC1 ZINC000896324869 1196142732 /nfs/dbraw/zinc/14/27/32/1196142732.db2.gz KPYTYNKUBCQORK-SZMVWBNQSA-N 2 2 381.517 0.972 20 0 GCADLP CC(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971722 1196142774 /nfs/dbraw/zinc/14/27/74/1196142774.db2.gz PGMLOZDSHRZWDY-WCXIOVBPSA-N 2 2 375.521 0.875 20 0 GCADLP CC(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971722 1196142777 /nfs/dbraw/zinc/14/27/77/1196142777.db2.gz PGMLOZDSHRZWDY-WCXIOVBPSA-N 2 2 375.521 0.875 20 0 GCADLP CC(C)n1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971722 1196142778 /nfs/dbraw/zinc/14/27/78/1196142778.db2.gz PGMLOZDSHRZWDY-WCXIOVBPSA-N 2 2 375.521 0.875 20 0 GCADLP CC(C)n1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971722 1196142779 /nfs/dbraw/zinc/14/27/79/1196142779.db2.gz PGMLOZDSHRZWDY-WCXIOVBPSA-N 2 2 375.521 0.875 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC000896532880 1196153824 /nfs/dbraw/zinc/15/38/24/1196153824.db2.gz NBGGMGMRUHQUHP-RNQOJCNYSA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC000896532880 1196153827 /nfs/dbraw/zinc/15/38/27/1196153827.db2.gz NBGGMGMRUHQUHP-RNQOJCNYSA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC000896532880 1196153829 /nfs/dbraw/zinc/15/38/29/1196153829.db2.gz NBGGMGMRUHQUHP-RNQOJCNYSA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC000896532880 1196153832 /nfs/dbraw/zinc/15/38/32/1196153832.db2.gz NBGGMGMRUHQUHP-RNQOJCNYSA-N 2 2 390.576 0.985 20 0 GCADLP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000329574249 1196206496 /nfs/dbraw/zinc/20/64/96/1196206496.db2.gz NRUYNEBQDRDGFJ-KRWDZBQOSA-N 2 2 378.517 0.254 20 0 GCADLP C[N@H+]1CCCC12CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000329574249 1196206499 /nfs/dbraw/zinc/20/64/99/1196206499.db2.gz NRUYNEBQDRDGFJ-KRWDZBQOSA-N 2 2 378.517 0.254 20 0 GCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000329621630 1196211216 /nfs/dbraw/zinc/21/12/16/1196211216.db2.gz RPFQIUUNQSKDSI-CRAIPNDOSA-N 2 2 383.514 0.425 20 0 GCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000329621630 1196211220 /nfs/dbraw/zinc/21/12/20/1196211220.db2.gz RPFQIUUNQSKDSI-CRAIPNDOSA-N 2 2 383.514 0.425 20 0 GCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000329621635 1196211281 /nfs/dbraw/zinc/21/12/81/1196211281.db2.gz RPFQIUUNQSKDSI-YJBOKZPZSA-N 2 2 383.514 0.425 20 0 GCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000329621635 1196211284 /nfs/dbraw/zinc/21/12/84/1196211284.db2.gz RPFQIUUNQSKDSI-YJBOKZPZSA-N 2 2 383.514 0.425 20 0 GCADLP Cc1nnsc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012230 1196217366 /nfs/dbraw/zinc/21/73/66/1196217366.db2.gz ZQRMWRUOMILQDG-DMRZNYOFSA-N 2 2 379.530 0.846 20 0 GCADLP Cc1nnsc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012230 1196217368 /nfs/dbraw/zinc/21/73/68/1196217368.db2.gz ZQRMWRUOMILQDG-DMRZNYOFSA-N 2 2 379.530 0.846 20 0 GCADLP Cc1nnsc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012230 1196217370 /nfs/dbraw/zinc/21/73/70/1196217370.db2.gz ZQRMWRUOMILQDG-DMRZNYOFSA-N 2 2 379.530 0.846 20 0 GCADLP Cc1nnsc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012230 1196217372 /nfs/dbraw/zinc/21/73/72/1196217372.db2.gz ZQRMWRUOMILQDG-DMRZNYOFSA-N 2 2 379.530 0.846 20 0 GCADLP CN(C(=O)[C@]1(C)CCCOC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329704659 1196224418 /nfs/dbraw/zinc/22/44/18/1196224418.db2.gz JPBLREPNKIRMOX-HXUWFJFHSA-N 2 2 380.533 0.500 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000330230198 1196260810 /nfs/dbraw/zinc/26/08/10/1196260810.db2.gz WJJJIBPHJFNVRS-OKZBNKHCSA-N 2 2 378.517 0.110 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000330230198 1196260813 /nfs/dbraw/zinc/26/08/13/1196260813.db2.gz WJJJIBPHJFNVRS-OKZBNKHCSA-N 2 2 378.517 0.110 20 0 GCADLP CC[C@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000281419385 1196294296 /nfs/dbraw/zinc/29/42/96/1196294296.db2.gz OPLLONZSEVCSHI-HNNXBMFYSA-N 2 2 387.488 0.513 20 0 GCADLP CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000281419385 1196294298 /nfs/dbraw/zinc/29/42/98/1196294298.db2.gz OPLLONZSEVCSHI-HNNXBMFYSA-N 2 2 387.488 0.513 20 0 GCADLP COCC[NH+]1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000043227932 1196381991 /nfs/dbraw/zinc/38/19/91/1196381991.db2.gz LHZPXAFNVFGENR-UHFFFAOYSA-N 2 2 389.544 0.778 20 0 GCADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000897002293 1196382758 /nfs/dbraw/zinc/38/27/58/1196382758.db2.gz UPXZLGIWYNPYPE-CVEARBPZSA-N 2 2 382.505 0.374 20 0 GCADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000897002293 1196382760 /nfs/dbraw/zinc/38/27/60/1196382760.db2.gz UPXZLGIWYNPYPE-CVEARBPZSA-N 2 2 382.505 0.374 20 0 GCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475157905 1196385664 /nfs/dbraw/zinc/38/56/64/1196385664.db2.gz SHUDCCKAXBHACG-IRXDYDNUSA-N 2 2 382.530 0.419 20 0 GCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475157905 1196385666 /nfs/dbraw/zinc/38/56/66/1196385666.db2.gz SHUDCCKAXBHACG-IRXDYDNUSA-N 2 2 382.530 0.419 20 0 GCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475157907 1196385762 /nfs/dbraw/zinc/38/57/62/1196385762.db2.gz SHUDCCKAXBHACG-SJORKVTESA-N 2 2 382.530 0.419 20 0 GCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475157907 1196385764 /nfs/dbraw/zinc/38/57/64/1196385764.db2.gz SHUDCCKAXBHACG-SJORKVTESA-N 2 2 382.530 0.419 20 0 GCADLP NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000897052114 1196386521 /nfs/dbraw/zinc/38/65/21/1196386521.db2.gz IGOFUIMBMFXCLL-KRWDZBQOSA-N 2 2 383.514 0.508 20 0 GCADLP NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000897052114 1196386525 /nfs/dbraw/zinc/38/65/25/1196386525.db2.gz IGOFUIMBMFXCLL-KRWDZBQOSA-N 2 2 383.514 0.508 20 0 GCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866930008 1196472881 /nfs/dbraw/zinc/47/28/81/1196472881.db2.gz DGSRGBSUNLHQKK-QBUQCISBSA-N 2 2 388.512 0.280 20 0 GCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523316836 1196514785 /nfs/dbraw/zinc/51/47/85/1196514785.db2.gz YODSTMYXAJQXEO-INIZCTEOSA-N 2 2 376.505 0.760 20 0 GCADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC1(O)CCOCC1 ZINC000444750719 1196519086 /nfs/dbraw/zinc/51/90/86/1196519086.db2.gz IQXRWCCHHPDSOJ-UHFFFAOYSA-N 2 2 391.512 0.608 20 0 GCADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC1(O)CCOCC1 ZINC000444750719 1196519089 /nfs/dbraw/zinc/51/90/89/1196519089.db2.gz IQXRWCCHHPDSOJ-UHFFFAOYSA-N 2 2 391.512 0.608 20 0 GCADLP CC1(C)CCC[N@H+](CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000444894849 1196530974 /nfs/dbraw/zinc/53/09/74/1196530974.db2.gz JHPOOYYLWUDQEE-UHFFFAOYSA-N 2 2 378.521 1.459 20 0 GCADLP CC1(C)CCC[N@@H+](CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000444894849 1196530978 /nfs/dbraw/zinc/53/09/78/1196530978.db2.gz JHPOOYYLWUDQEE-UHFFFAOYSA-N 2 2 378.521 1.459 20 0 GCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367195579 1196561995 /nfs/dbraw/zinc/56/19/95/1196561995.db2.gz JNXMFBSKRXQQCE-MSOLQXFVSA-N 2 2 381.565 0.765 20 0 GCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367195579 1196561998 /nfs/dbraw/zinc/56/19/98/1196561998.db2.gz JNXMFBSKRXQQCE-MSOLQXFVSA-N 2 2 381.565 0.765 20 0 GCADLP CC(C)C[C@H]1C(=O)NCC[NH+]1CCOCC[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000445993530 1196606383 /nfs/dbraw/zinc/60/63/83/1196606383.db2.gz NGHBXCKXQDPMPL-ROUUACIJSA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)C[C@H]1C(=O)NCC[NH+]1CCOCC[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000445993530 1196606385 /nfs/dbraw/zinc/60/63/85/1196606385.db2.gz NGHBXCKXQDPMPL-ROUUACIJSA-N 2 2 382.549 0.696 20 0 GCADLP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000446453838 1196642594 /nfs/dbraw/zinc/64/25/94/1196642594.db2.gz FXMXAWYFNPHXHH-QGZVFWFLSA-N 2 2 385.468 0.864 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524990835 1196643120 /nfs/dbraw/zinc/64/31/20/1196643120.db2.gz CPCIAKHKEIRXDX-PXNSSMCTSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524990835 1196643123 /nfs/dbraw/zinc/64/31/23/1196643123.db2.gz CPCIAKHKEIRXDX-PXNSSMCTSA-N 2 2 376.501 0.643 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@]4(CNC(=O)C4)C3)CC2)CC1 ZINC000525809364 1196712246 /nfs/dbraw/zinc/71/22/46/1196712246.db2.gz IRSWCXAFKUKPTH-HXUWFJFHSA-N 2 2 377.533 0.857 20 0 GCADLP C[C@H]1C[N@H+](C)C[C@H](c2nnc(N3CCC(C)([NH+]4CCOCC4)CC3)n2C)O1 ZINC000624792152 1196782083 /nfs/dbraw/zinc/78/20/83/1196782083.db2.gz OOUYBNDJCPYRCL-JKSUJKDBSA-N 2 2 378.521 0.898 20 0 GCADLP C[C@H]1C[N@@H+](C)C[C@H](c2nnc(N3CCC(C)([NH+]4CCOCC4)CC3)n2C)O1 ZINC000624792152 1196782087 /nfs/dbraw/zinc/78/20/87/1196782087.db2.gz OOUYBNDJCPYRCL-JKSUJKDBSA-N 2 2 378.521 0.898 20 0 GCADLP CCc1nnc(N2CC[NH+](CCOC)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001709151322 1196791915 /nfs/dbraw/zinc/79/19/15/1196791915.db2.gz UREJMUXNKFHGTN-UHFFFAOYSA-N 2 2 380.537 0.720 20 0 GCADLP COC(=O)Cn1cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nn1 ZINC000449326160 1196868163 /nfs/dbraw/zinc/86/81/63/1196868163.db2.gz SRBGVMMFYGQVHI-HZPDHXFCSA-N 2 2 395.504 0.541 20 0 GCADLP CC[C@@H](C)[C@@H](OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000475657135 1196885863 /nfs/dbraw/zinc/88/58/63/1196885863.db2.gz SGFOCLGJYPVJDX-VQIMIIECSA-N 2 2 382.549 0.744 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749954 1196885987 /nfs/dbraw/zinc/88/59/87/1196885987.db2.gz DZPMQMTVXSRSEL-FFZOFVMBSA-N 2 2 376.501 0.432 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749954 1196885991 /nfs/dbraw/zinc/88/59/91/1196885991.db2.gz DZPMQMTVXSRSEL-FFZOFVMBSA-N 2 2 376.501 0.432 20 0 GCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](C)C[C@@H]3CO)CC2)cc1 ZINC000639871079 1196901868 /nfs/dbraw/zinc/90/18/68/1196901868.db2.gz ICHUHHWVAKGEOG-LJQANCHMSA-N 2 2 390.528 0.338 20 0 GCADLP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](C)C[C@@H]3CO)CC2)cc1 ZINC000639871079 1196901872 /nfs/dbraw/zinc/90/18/72/1196901872.db2.gz ICHUHHWVAKGEOG-LJQANCHMSA-N 2 2 390.528 0.338 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)CN3CC[N@H+](C)C[C@@H]3CO)CC2)cc1 ZINC000639871079 1196901875 /nfs/dbraw/zinc/90/18/75/1196901875.db2.gz ICHUHHWVAKGEOG-LJQANCHMSA-N 2 2 390.528 0.338 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)CN3CC[N@@H+](C)C[C@@H]3CO)CC2)cc1 ZINC000639871079 1196901877 /nfs/dbraw/zinc/90/18/77/1196901877.db2.gz ICHUHHWVAKGEOG-LJQANCHMSA-N 2 2 390.528 0.338 20 0 GCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529308442 1196912754 /nfs/dbraw/zinc/91/27/54/1196912754.db2.gz GUHGDUNHBPGHFS-UHFFFAOYSA-N 2 2 397.483 0.725 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000530420723 1196986861 /nfs/dbraw/zinc/98/68/61/1196986861.db2.gz YCLSESMHTMRHNB-UHFFFAOYSA-N 2 2 382.549 0.892 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000530420723 1196986863 /nfs/dbraw/zinc/98/68/63/1196986863.db2.gz YCLSESMHTMRHNB-UHFFFAOYSA-N 2 2 382.549 0.892 20 0 GCADLP COC[C@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451332817 1196989241 /nfs/dbraw/zinc/98/92/41/1196989241.db2.gz IRDQTXFONJERFB-JXFKEZNVSA-N 2 2 390.484 0.630 20 0 GCADLP COC[C@]1(C(=O)OC)CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451332817 1196989243 /nfs/dbraw/zinc/98/92/43/1196989243.db2.gz IRDQTXFONJERFB-JXFKEZNVSA-N 2 2 390.484 0.630 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)CC1 ZINC000671099406 1196991126 /nfs/dbraw/zinc/99/11/26/1196991126.db2.gz ABORZVPFJQHDED-XYJFISCASA-N 3 2 377.533 0.014 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)CC1 ZINC000671099406 1196991129 /nfs/dbraw/zinc/99/11/29/1196991129.db2.gz ABORZVPFJQHDED-XYJFISCASA-N 3 2 377.533 0.014 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000671099406 1196991130 /nfs/dbraw/zinc/99/11/30/1196991130.db2.gz ABORZVPFJQHDED-XYJFISCASA-N 3 2 377.533 0.014 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000671099406 1196991133 /nfs/dbraw/zinc/99/11/33/1196991133.db2.gz ABORZVPFJQHDED-XYJFISCASA-N 3 2 377.533 0.014 20 0 GCADLP CO[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1(C)C ZINC000451483545 1196994983 /nfs/dbraw/zinc/99/49/83/1196994983.db2.gz AXXGSKPXUHXHFU-GJZGRUSLSA-N 2 2 387.488 0.415 20 0 GCADLP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000530806701 1197017758 /nfs/dbraw/zinc/01/77/58/1197017758.db2.gz HUNIGMLWPKLPTN-QGZVFWFLSA-N 2 2 387.528 0.831 20 0 GCADLP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000530806701 1197017763 /nfs/dbraw/zinc/01/77/63/1197017763.db2.gz HUNIGMLWPKLPTN-QGZVFWFLSA-N 2 2 387.528 0.831 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000375436592 1197057165 /nfs/dbraw/zinc/05/71/65/1197057165.db2.gz JGCOKVFVIJCNOI-IIDMSEBBSA-N 2 2 392.504 0.396 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000375436592 1197057168 /nfs/dbraw/zinc/05/71/68/1197057168.db2.gz JGCOKVFVIJCNOI-IIDMSEBBSA-N 2 2 392.504 0.396 20 0 GCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCc3c[nH+]c(N(C)C)n3C)C2)CC1 ZINC000532350256 1197147464 /nfs/dbraw/zinc/14/74/64/1197147464.db2.gz UXCARBJUTKVVIG-MRXNPFEDSA-N 2 2 377.537 0.796 20 0 GCADLP CC(C)(O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000171149690 1197157352 /nfs/dbraw/zinc/15/73/52/1197157352.db2.gz MAUOIQAVGJYBLQ-UHFFFAOYSA-N 2 2 380.558 0.781 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC1=O ZINC000171728986 1197158616 /nfs/dbraw/zinc/15/86/16/1197158616.db2.gz FLICKPXXKFASPK-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC1=O ZINC000171728986 1197158620 /nfs/dbraw/zinc/15/86/20/1197158620.db2.gz FLICKPXXKFASPK-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1=O ZINC000171728986 1197158621 /nfs/dbraw/zinc/15/86/21/1197158621.db2.gz FLICKPXXKFASPK-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)CC1=O ZINC000171728986 1197158624 /nfs/dbraw/zinc/15/86/24/1197158624.db2.gz FLICKPXXKFASPK-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1=O ZINC000171726833 1197158780 /nfs/dbraw/zinc/15/87/80/1197158780.db2.gz NEBWWKSCUOWQIZ-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1=O ZINC000171726833 1197158782 /nfs/dbraw/zinc/15/87/82/1197158782.db2.gz NEBWWKSCUOWQIZ-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC000171726833 1197158785 /nfs/dbraw/zinc/15/87/85/1197158785.db2.gz NEBWWKSCUOWQIZ-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC000171726833 1197158789 /nfs/dbraw/zinc/15/87/89/1197158789.db2.gz NEBWWKSCUOWQIZ-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)CC[N@@H+]1C ZINC000986418100 1197170327 /nfs/dbraw/zinc/17/03/27/1197170327.db2.gz GBRPFNAUNNWLMR-KCITZHQASA-N 2 2 387.528 1.000 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)CC[N@H+]1C ZINC000986418100 1197170329 /nfs/dbraw/zinc/17/03/29/1197170329.db2.gz GBRPFNAUNNWLMR-KCITZHQASA-N 2 2 387.528 1.000 20 0 GCADLP Cn1cc(N2CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)cn1 ZINC000174218517 1197179620 /nfs/dbraw/zinc/17/96/20/1197179620.db2.gz YTZUCHQFAWEFIW-UHFFFAOYSA-N 2 2 389.548 0.810 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000174132812 1197180145 /nfs/dbraw/zinc/18/01/45/1197180145.db2.gz BEXNRWKZLDJMJX-QZTJIDSGSA-N 2 2 387.532 0.867 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000174132812 1197180148 /nfs/dbraw/zinc/18/01/48/1197180148.db2.gz BEXNRWKZLDJMJX-QZTJIDSGSA-N 2 2 387.532 0.867 20 0 GCADLP C[NH+](C)C1CCN(CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000175699690 1197184252 /nfs/dbraw/zinc/18/42/52/1197184252.db2.gz BQLXEHFNTKRBRB-UHFFFAOYSA-N 3 2 394.608 0.870 20 0 GCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000176429523 1197186937 /nfs/dbraw/zinc/18/69/37/1197186937.db2.gz NGQGSLQFDFVECT-MSOLQXFVSA-N 2 2 387.532 0.867 20 0 GCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000176429523 1197186939 /nfs/dbraw/zinc/18/69/39/1197186939.db2.gz NGQGSLQFDFVECT-MSOLQXFVSA-N 2 2 387.532 0.867 20 0 GCADLP NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000653645248 1197282929 /nfs/dbraw/zinc/28/29/29/1197282929.db2.gz FAPRTLMYVYDDEL-UHFFFAOYSA-N 2 2 378.458 0.208 20 0 GCADLP C[C@@H]1C[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H](C)S1 ZINC000532577557 1197330714 /nfs/dbraw/zinc/33/07/14/1197330714.db2.gz KGAWXEHJKVPUIF-ZIAGYGMSSA-N 2 2 389.529 0.838 20 0 GCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000123574271 1197350935 /nfs/dbraw/zinc/35/09/35/1197350935.db2.gz GRPXNAWICAETKN-CQSZACIVSA-N 2 2 391.497 0.961 20 0 GCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000123574271 1197350938 /nfs/dbraw/zinc/35/09/38/1197350938.db2.gz GRPXNAWICAETKN-CQSZACIVSA-N 2 2 391.497 0.961 20 0 GCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000123547700 1197351069 /nfs/dbraw/zinc/35/10/69/1197351069.db2.gz FOCJGUCDRYOWSY-AWEZNQCLSA-N 2 2 391.497 0.961 20 0 GCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000123547700 1197351072 /nfs/dbraw/zinc/35/10/72/1197351072.db2.gz FOCJGUCDRYOWSY-AWEZNQCLSA-N 2 2 391.497 0.961 20 0 GCADLP CC[C@](C)([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)C(N)=O ZINC000133807351 1197384255 /nfs/dbraw/zinc/38/42/55/1197384255.db2.gz VCJUEHCAGUDKIU-FQEVSTJZSA-N 2 2 376.501 0.973 20 0 GCADLP CC[C@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)C(N)=O ZINC000133807351 1197384258 /nfs/dbraw/zinc/38/42/58/1197384258.db2.gz VCJUEHCAGUDKIU-FQEVSTJZSA-N 2 2 376.501 0.973 20 0 GCADLP O=C(CC[NH+]1CCC(N2CCNC2=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053284847 1197386673 /nfs/dbraw/zinc/38/66/73/1197386673.db2.gz SKSQRVAULHXFPH-UHFFFAOYSA-N 2 2 386.500 0.610 20 0 GCADLP CN(C(=O)NCc1nc(C(N)=O)cs1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000666717960 1197389802 /nfs/dbraw/zinc/38/98/02/1197389802.db2.gz QBNJMBVFMVNMDA-ZDUSSCGKSA-N 2 2 380.518 0.552 20 0 GCADLP CN(C(=O)NCc1nc(C(N)=O)cs1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000666717960 1197389806 /nfs/dbraw/zinc/38/98/06/1197389806.db2.gz QBNJMBVFMVNMDA-ZDUSSCGKSA-N 2 2 380.518 0.552 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)N1CC[NH+](C)CC1 ZINC000193915728 1197397873 /nfs/dbraw/zinc/39/78/73/1197397873.db2.gz MBDOYKTZBUTEJH-IBGZPJMESA-N 2 2 387.528 0.959 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)N1CC[NH+](C)CC1 ZINC000193915728 1197397875 /nfs/dbraw/zinc/39/78/75/1197397875.db2.gz MBDOYKTZBUTEJH-IBGZPJMESA-N 2 2 387.528 0.959 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194430919 1197398962 /nfs/dbraw/zinc/39/89/62/1197398962.db2.gz HGAMKBMEHRTZQM-VQTJNVASSA-N 2 2 390.528 0.843 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194430919 1197398966 /nfs/dbraw/zinc/39/89/66/1197398966.db2.gz HGAMKBMEHRTZQM-VQTJNVASSA-N 2 2 390.528 0.843 20 0 GCADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000533254006 1197441499 /nfs/dbraw/zinc/44/14/99/1197441499.db2.gz JSMRGFIUPDVWCC-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650370 1197464684 /nfs/dbraw/zinc/46/46/84/1197464684.db2.gz YSKJEWHWGKRIIV-KBPBESRZSA-N 2 2 392.504 0.879 20 0 GCADLP CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650370 1197464686 /nfs/dbraw/zinc/46/46/86/1197464686.db2.gz YSKJEWHWGKRIIV-KBPBESRZSA-N 2 2 392.504 0.879 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC1=O ZINC000246363297 1197465853 /nfs/dbraw/zinc/46/58/53/1197465853.db2.gz FLICKPXXKFASPK-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC1=O ZINC000246363297 1197465855 /nfs/dbraw/zinc/46/58/55/1197465855.db2.gz FLICKPXXKFASPK-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1=O ZINC000246363297 1197465857 /nfs/dbraw/zinc/46/58/57/1197465857.db2.gz FLICKPXXKFASPK-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)CC1=O ZINC000246363297 1197465859 /nfs/dbraw/zinc/46/58/59/1197465859.db2.gz FLICKPXXKFASPK-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2ccccc2-n2cc[nH+]c2)no1)C(N)=O ZINC001211998551 1197465952 /nfs/dbraw/zinc/46/59/52/1197465952.db2.gz UUDUVJOYLRLJJD-WCQYABFASA-N 2 2 383.412 0.172 20 0 GCADLP O=C1NC[C@H]2C[NH+](Cc3ccccc3C[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000246425280 1197470009 /nfs/dbraw/zinc/47/00/09/1197470009.db2.gz CGFXSYWLOGDFQP-ROUUACIJSA-N 2 2 384.484 0.105 20 0 GCADLP O=C1NC[C@H]2C[NH+](Cc3ccccc3C[N@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000246425280 1197470010 /nfs/dbraw/zinc/47/00/10/1197470010.db2.gz CGFXSYWLOGDFQP-ROUUACIJSA-N 2 2 384.484 0.105 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000246587169 1197472803 /nfs/dbraw/zinc/47/28/03/1197472803.db2.gz PDNKTELJTGCAFE-YZGWKJHDSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000246587169 1197472804 /nfs/dbraw/zinc/47/28/04/1197472804.db2.gz PDNKTELJTGCAFE-YZGWKJHDSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000248851740 1197479988 /nfs/dbraw/zinc/47/99/88/1197479988.db2.gz OVDDPORUTDFNBL-MISYRCLQSA-N 2 2 390.528 0.841 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000248851740 1197479991 /nfs/dbraw/zinc/47/99/91/1197479991.db2.gz OVDDPORUTDFNBL-MISYRCLQSA-N 2 2 390.528 0.841 20 0 GCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000076323616 1197480811 /nfs/dbraw/zinc/48/08/11/1197480811.db2.gz KYSKJCFFYFYMJG-SFHVURJKSA-N 2 2 379.505 0.947 20 0 GCADLP COCC[NH2+]CCNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000262065379 1197524310 /nfs/dbraw/zinc/52/43/10/1197524310.db2.gz AZGXLGLFRLGHCR-UHFFFAOYSA-N 2 2 378.454 0.848 20 0 GCADLP CS(=O)(=O)C1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[NH2+]CC1 ZINC000262568544 1197534710 /nfs/dbraw/zinc/53/47/10/1197534710.db2.gz SCLMXNNHSYKRAA-UHFFFAOYSA-N 2 2 380.514 0.855 20 0 GCADLP C[NH+]1CCC(OCC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CC1 ZINC000999732501 1198966577 /nfs/dbraw/zinc/96/65/77/1198966577.db2.gz CTTGYOHIHFLTAH-KBMXLJTQSA-N 2 2 375.473 0.311 20 0 GCADLP COCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000672004408 1198998306 /nfs/dbraw/zinc/99/83/06/1198998306.db2.gz HKNMLDFZPJFMDT-UHFFFAOYSA-N 2 2 377.489 0.301 20 0 GCADLP COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000672004408 1198998309 /nfs/dbraw/zinc/99/83/09/1198998309.db2.gz HKNMLDFZPJFMDT-UHFFFAOYSA-N 2 2 377.489 0.301 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672014132 1199004481 /nfs/dbraw/zinc/00/44/81/1199004481.db2.gz KMOYKJXKLFITGD-CGTJXYLNSA-N 2 2 380.533 0.593 20 0 GCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000672065788 1199057687 /nfs/dbraw/zinc/05/76/87/1199057687.db2.gz YPDZEDNOABVFEB-SOLBZPMBSA-N 2 2 392.500 0.676 20 0 GCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000672065788 1199057692 /nfs/dbraw/zinc/05/76/92/1199057692.db2.gz YPDZEDNOABVFEB-SOLBZPMBSA-N 2 2 392.500 0.676 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)c2)CC1 ZINC000108617401 1199060821 /nfs/dbraw/zinc/06/08/21/1199060821.db2.gz LOGVEQLEODDBOY-HXUWFJFHSA-N 2 2 399.539 0.973 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)c2)CC1 ZINC000108617401 1199060830 /nfs/dbraw/zinc/06/08/30/1199060830.db2.gz LOGVEQLEODDBOY-HXUWFJFHSA-N 2 2 399.539 0.973 20 0 GCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672098391 1199089519 /nfs/dbraw/zinc/08/95/19/1199089519.db2.gz SAAYQESKPLMSLX-WMZOPIPTSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672098391 1199089521 /nfs/dbraw/zinc/08/95/21/1199089521.db2.gz SAAYQESKPLMSLX-WMZOPIPTSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672098391 1199089530 /nfs/dbraw/zinc/08/95/30/1199089530.db2.gz SAAYQESKPLMSLX-WMZOPIPTSA-N 3 2 381.565 0.460 20 0 GCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672098391 1199089538 /nfs/dbraw/zinc/08/95/38/1199089538.db2.gz SAAYQESKPLMSLX-WMZOPIPTSA-N 3 2 381.565 0.460 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000465894865 1199156706 /nfs/dbraw/zinc/15/67/06/1199156706.db2.gz BMTZAJDZMWOKRN-OALUTQOASA-N 3 2 382.597 0.680 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000465894865 1199156709 /nfs/dbraw/zinc/15/67/09/1199156709.db2.gz BMTZAJDZMWOKRN-OALUTQOASA-N 3 2 382.597 0.680 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000465894866 1199156773 /nfs/dbraw/zinc/15/67/73/1199156773.db2.gz BMTZAJDZMWOKRN-RBUKOAKNSA-N 3 2 382.597 0.680 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000465894866 1199156775 /nfs/dbraw/zinc/15/67/75/1199156775.db2.gz BMTZAJDZMWOKRN-RBUKOAKNSA-N 3 2 382.597 0.680 20 0 GCADLP Cc1cccc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672534398 1199263081 /nfs/dbraw/zinc/26/30/81/1199263081.db2.gz QKBFONVOXMHMTE-IBGZPJMESA-N 2 2 387.528 0.676 20 0 GCADLP Cc1cccc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672534398 1199263084 /nfs/dbraw/zinc/26/30/84/1199263084.db2.gz QKBFONVOXMHMTE-IBGZPJMESA-N 2 2 387.528 0.676 20 0 GCADLP CC(C)n1cc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672608326 1199281240 /nfs/dbraw/zinc/28/12/40/1199281240.db2.gz MBEBWICDWFUJLI-NVXWUHKLSA-N 2 2 390.532 0.926 20 0 GCADLP CC(C)n1cc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672608326 1199281244 /nfs/dbraw/zinc/28/12/44/1199281244.db2.gz MBEBWICDWFUJLI-NVXWUHKLSA-N 2 2 390.532 0.926 20 0 GCADLP CC(C)n1cc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672608328 1199281426 /nfs/dbraw/zinc/28/14/26/1199281426.db2.gz MBEBWICDWFUJLI-WBVHZDCISA-N 2 2 390.532 0.926 20 0 GCADLP CC(C)n1cc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672608328 1199281430 /nfs/dbraw/zinc/28/14/30/1199281430.db2.gz MBEBWICDWFUJLI-WBVHZDCISA-N 2 2 390.532 0.926 20 0 GCADLP Cc1cnc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637403 1199287159 /nfs/dbraw/zinc/28/71/59/1199287159.db2.gz GOJKGSCEMBGIFI-UONOGXRCSA-N 2 2 379.530 0.913 20 0 GCADLP Cc1cnc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637403 1199287162 /nfs/dbraw/zinc/28/71/62/1199287162.db2.gz GOJKGSCEMBGIFI-UONOGXRCSA-N 2 2 379.530 0.913 20 0 GCADLP Cc1cnc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637402 1199287552 /nfs/dbraw/zinc/28/75/52/1199287552.db2.gz GOJKGSCEMBGIFI-KGLIPLIRSA-N 2 2 379.530 0.913 20 0 GCADLP Cc1cnc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637402 1199287554 /nfs/dbraw/zinc/28/75/54/1199287554.db2.gz GOJKGSCEMBGIFI-KGLIPLIRSA-N 2 2 379.530 0.913 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)C2)CC1 ZINC000672638560 1199288466 /nfs/dbraw/zinc/28/84/66/1199288466.db2.gz VCALUKXTTWGTNW-OWLYRPNTSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)C2)CC1 ZINC000672638560 1199288469 /nfs/dbraw/zinc/28/84/69/1199288469.db2.gz VCALUKXTTWGTNW-OWLYRPNTSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)C2)CC1 ZINC000672638559 1199288871 /nfs/dbraw/zinc/28/88/71/1199288871.db2.gz VCALUKXTTWGTNW-HPBDAGMYSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)C2)CC1 ZINC000672638559 1199288875 /nfs/dbraw/zinc/28/88/75/1199288875.db2.gz VCALUKXTTWGTNW-HPBDAGMYSA-N 2 2 378.517 0.345 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCC(CO)CC1 ZINC000672638468 1199289772 /nfs/dbraw/zinc/28/97/72/1199289772.db2.gz QNZNXWFVNYZJOL-AQFXKWCLSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCC(CO)CC1 ZINC000672638468 1199289777 /nfs/dbraw/zinc/28/97/77/1199289777.db2.gz QNZNXWFVNYZJOL-AQFXKWCLSA-N 2 2 380.533 0.281 20 0 GCADLP COCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672637997 1199291528 /nfs/dbraw/zinc/29/15/28/1199291528.db2.gz CEFHARZCFMOERT-RDJZCZTQSA-N 2 2 392.500 0.758 20 0 GCADLP COCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672637997 1199291534 /nfs/dbraw/zinc/29/15/34/1199291534.db2.gz CEFHARZCFMOERT-RDJZCZTQSA-N 2 2 392.500 0.758 20 0 GCADLP COC1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638736 1199293287 /nfs/dbraw/zinc/29/32/87/1199293287.db2.gz VDYJOSVJBKTCLK-TVRKMHQQSA-N 2 2 394.560 0.983 20 0 GCADLP COC1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638736 1199293295 /nfs/dbraw/zinc/29/32/95/1199293295.db2.gz VDYJOSVJBKTCLK-TVRKMHQQSA-N 2 2 394.560 0.983 20 0 GCADLP CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639211 1199293808 /nfs/dbraw/zinc/29/38/08/1199293808.db2.gz KIBCAPUTHVFWCR-RYRKJORJSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639211 1199293811 /nfs/dbraw/zinc/29/38/11/1199293811.db2.gz KIBCAPUTHVFWCR-RYRKJORJSA-N 2 2 380.533 0.281 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000672640119 1199295372 /nfs/dbraw/zinc/29/53/72/1199295372.db2.gz RNKNGWOMORAGQI-CVEARBPZSA-N 2 2 378.517 0.489 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000672640119 1199295373 /nfs/dbraw/zinc/29/53/73/1199295373.db2.gz RNKNGWOMORAGQI-CVEARBPZSA-N 2 2 378.517 0.489 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[NH+](C)CC[C@H]43)C2)CC1 ZINC000672640263 1199295887 /nfs/dbraw/zinc/29/58/87/1199295887.db2.gz UZECEMJDZHUADM-JENIJYKNSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[NH+](C)CC[C@H]43)C2)CC1 ZINC000672640263 1199295890 /nfs/dbraw/zinc/29/58/90/1199295890.db2.gz UZECEMJDZHUADM-JENIJYKNSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)C2)CC1 ZINC000672640263 1199295896 /nfs/dbraw/zinc/29/58/96/1199295896.db2.gz UZECEMJDZHUADM-JENIJYKNSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C2)CC1 ZINC000672640263 1199295901 /nfs/dbraw/zinc/29/59/01/1199295901.db2.gz UZECEMJDZHUADM-JENIJYKNSA-N 3 2 391.560 0.214 20 0 GCADLP Cc1ncsc1CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640076 1199296287 /nfs/dbraw/zinc/29/62/87/1199296287.db2.gz HWWXKNITHGOBSE-CQSZACIVSA-N 2 2 379.530 0.695 20 0 GCADLP Cc1ncsc1CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640076 1199296288 /nfs/dbraw/zinc/29/62/88/1199296288.db2.gz HWWXKNITHGOBSE-CQSZACIVSA-N 2 2 379.530 0.695 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCO)Cc3ccccc3)C2)CC1 ZINC000672640254 1199296428 /nfs/dbraw/zinc/29/64/28/1199296428.db2.gz USFNMQNVBXDHQS-SFHVURJKSA-N 2 2 388.512 0.292 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCO)Cc3ccccc3)C2)CC1 ZINC000672640254 1199296431 /nfs/dbraw/zinc/29/64/31/1199296431.db2.gz USFNMQNVBXDHQS-SFHVURJKSA-N 2 2 388.512 0.292 20 0 GCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640212 1199296876 /nfs/dbraw/zinc/29/68/76/1199296876.db2.gz XHBDRGUPXDJMGT-ZWKOTPCHSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640212 1199296880 /nfs/dbraw/zinc/29/68/80/1199296880.db2.gz XHBDRGUPXDJMGT-ZWKOTPCHSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640212 1199296886 /nfs/dbraw/zinc/29/68/86/1199296886.db2.gz XHBDRGUPXDJMGT-ZWKOTPCHSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640212 1199296892 /nfs/dbraw/zinc/29/68/92/1199296892.db2.gz XHBDRGUPXDJMGT-ZWKOTPCHSA-N 3 2 393.576 0.461 20 0 GCADLP CN(C)c1nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672641210 1199297348 /nfs/dbraw/zinc/29/73/48/1199297348.db2.gz NLCFGLPPTYTVRA-ZDUSSCGKSA-N 2 2 394.545 0.110 20 0 GCADLP CN(C)c1nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672641210 1199297350 /nfs/dbraw/zinc/29/73/50/1199297350.db2.gz NLCFGLPPTYTVRA-ZDUSSCGKSA-N 2 2 394.545 0.110 20 0 GCADLP CCc1nc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672641424 1199297401 /nfs/dbraw/zinc/29/74/01/1199297401.db2.gz RIMJYUVQHGGOAG-AWEZNQCLSA-N 2 2 393.557 0.949 20 0 GCADLP CCc1nc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672641424 1199297407 /nfs/dbraw/zinc/29/74/07/1199297407.db2.gz RIMJYUVQHGGOAG-AWEZNQCLSA-N 2 2 393.557 0.949 20 0 GCADLP Cc1nc(C)c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640581 1199297825 /nfs/dbraw/zinc/29/78/25/1199297825.db2.gz XVAWCRDZNYYITK-CQSZACIVSA-N 2 2 379.530 0.661 20 0 GCADLP Cc1nc(C)c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640581 1199297830 /nfs/dbraw/zinc/29/78/30/1199297830.db2.gz XVAWCRDZNYYITK-CQSZACIVSA-N 2 2 379.530 0.661 20 0 GCADLP CC(C)C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640814 1199298098 /nfs/dbraw/zinc/29/80/98/1199298098.db2.gz AVXFBXMUTHYOLL-FUHWJXTLSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640814 1199298103 /nfs/dbraw/zinc/29/81/03/1199298103.db2.gz AVXFBXMUTHYOLL-FUHWJXTLSA-N 2 2 380.533 0.545 20 0 GCADLP CCC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640851 1199298196 /nfs/dbraw/zinc/29/81/96/1199298196.db2.gz CLRWZHJBRIJKGW-UZLBHIALSA-N 2 2 380.533 0.425 20 0 GCADLP CCC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640851 1199298199 /nfs/dbraw/zinc/29/81/99/1199298199.db2.gz CLRWZHJBRIJKGW-UZLBHIALSA-N 2 2 380.533 0.425 20 0 GCADLP COC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC(C)CC1 ZINC000672641001 1199298410 /nfs/dbraw/zinc/29/84/10/1199298410.db2.gz JBRTZTRSUIPOFB-BATSVXPKSA-N 2 2 394.560 0.983 20 0 GCADLP COC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC(C)CC1 ZINC000672641001 1199298414 /nfs/dbraw/zinc/29/84/14/1199298414.db2.gz JBRTZTRSUIPOFB-BATSVXPKSA-N 2 2 394.560 0.983 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640875 1199298451 /nfs/dbraw/zinc/29/84/51/1199298451.db2.gz LEGIXUHPOGVFIV-QGZVFWFLSA-N 2 2 390.532 0.325 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4cc(F)ccc4C3)C2)CC1 ZINC000672642047 1199299859 /nfs/dbraw/zinc/29/98/59/1199299859.db2.gz WPJCYBAYTQSUJU-GOSISDBHSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4cc(F)ccc4C3)C2)CC1 ZINC000672642047 1199299866 /nfs/dbraw/zinc/29/98/66/1199299866.db2.gz WPJCYBAYTQSUJU-GOSISDBHSA-N 2 2 388.487 0.995 20 0 GCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642268 1199300186 /nfs/dbraw/zinc/30/01/86/1199300186.db2.gz DDJSIDIKGQKNGD-KRWDZBQOSA-N 3 2 379.549 0.214 20 0 GCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642268 1199300190 /nfs/dbraw/zinc/30/01/90/1199300190.db2.gz DDJSIDIKGQKNGD-KRWDZBQOSA-N 3 2 379.549 0.214 20 0 GCADLP CC(C)[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642268 1199300195 /nfs/dbraw/zinc/30/01/95/1199300195.db2.gz DDJSIDIKGQKNGD-KRWDZBQOSA-N 3 2 379.549 0.214 20 0 GCADLP CC(C)[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642268 1199300198 /nfs/dbraw/zinc/30/01/98/1199300198.db2.gz DDJSIDIKGQKNGD-KRWDZBQOSA-N 3 2 379.549 0.214 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4cc(F)ccc4C3)C2)CC1 ZINC000672642048 1199301657 /nfs/dbraw/zinc/30/16/57/1199301657.db2.gz WPJCYBAYTQSUJU-SFHVURJKSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4cc(F)ccc4C3)C2)CC1 ZINC000672642048 1199301665 /nfs/dbraw/zinc/30/16/65/1199301665.db2.gz WPJCYBAYTQSUJU-SFHVURJKSA-N 2 2 388.487 0.995 20 0 GCADLP CCO[C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642598 1199303396 /nfs/dbraw/zinc/30/33/96/1199303396.db2.gz OSQNZUVRFWRKCC-SJLPKXTDSA-N 2 2 382.549 0.839 20 0 GCADLP CCO[C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642598 1199303402 /nfs/dbraw/zinc/30/34/02/1199303402.db2.gz OSQNZUVRFWRKCC-SJLPKXTDSA-N 2 2 382.549 0.839 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643397 1199303873 /nfs/dbraw/zinc/30/38/73/1199303873.db2.gz XAWGBVBPZDDKNR-SJLPKXTDSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643397 1199303878 /nfs/dbraw/zinc/30/38/78/1199303878.db2.gz XAWGBVBPZDDKNR-SJLPKXTDSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643397 1199303884 /nfs/dbraw/zinc/30/38/84/1199303884.db2.gz XAWGBVBPZDDKNR-SJLPKXTDSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643397 1199303889 /nfs/dbraw/zinc/30/38/89/1199303889.db2.gz XAWGBVBPZDDKNR-SJLPKXTDSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642908 1199305686 /nfs/dbraw/zinc/30/56/86/1199305686.db2.gz JQTXBLXWQKMAIE-ROUUACIJSA-N 3 2 393.576 0.652 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642908 1199305692 /nfs/dbraw/zinc/30/56/92/1199305692.db2.gz JQTXBLXWQKMAIE-ROUUACIJSA-N 3 2 393.576 0.652 20 0 GCADLP Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642707 1199306001 /nfs/dbraw/zinc/30/60/01/1199306001.db2.gz FGDJJRPCUKOXAK-XJKSGUPXSA-N 2 2 391.516 0.623 20 0 GCADLP Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642707 1199306005 /nfs/dbraw/zinc/30/60/05/1199306005.db2.gz FGDJJRPCUKOXAK-XJKSGUPXSA-N 2 2 391.516 0.623 20 0 GCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@H+](CCO)C(C)(C)C3)cn2)CC1 ZINC000672706206 1199320475 /nfs/dbraw/zinc/32/04/75/1199320475.db2.gz ASRVDKDNSAYRHM-UHFFFAOYSA-N 2 2 390.532 0.432 20 0 GCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cn2)CC1 ZINC000672706206 1199320480 /nfs/dbraw/zinc/32/04/80/1199320480.db2.gz ASRVDKDNSAYRHM-UHFFFAOYSA-N 2 2 390.532 0.432 20 0 GCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000672722547 1199321231 /nfs/dbraw/zinc/32/12/31/1199321231.db2.gz WFLFGTVHWMXOHD-IRXDYDNUSA-N 2 2 382.549 0.792 20 0 GCADLP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1(C)C ZINC000672854549 1199352011 /nfs/dbraw/zinc/35/20/11/1199352011.db2.gz QISANEJBKMUVIZ-SFHVURJKSA-N 2 2 387.528 0.432 20 0 GCADLP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1(C)C ZINC000672854549 1199352016 /nfs/dbraw/zinc/35/20/16/1199352016.db2.gz QISANEJBKMUVIZ-SFHVURJKSA-N 2 2 387.528 0.432 20 0 GCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000672854549 1199352024 /nfs/dbraw/zinc/35/20/24/1199352024.db2.gz QISANEJBKMUVIZ-SFHVURJKSA-N 2 2 387.528 0.432 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000672974930 1199378053 /nfs/dbraw/zinc/37/80/53/1199378053.db2.gz HSGVBTCYOXQXRA-JQHSSLGASA-N 2 2 380.533 0.687 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000672974930 1199378056 /nfs/dbraw/zinc/37/80/56/1199378056.db2.gz HSGVBTCYOXQXRA-JQHSSLGASA-N 2 2 380.533 0.687 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000672974931 1199378419 /nfs/dbraw/zinc/37/84/19/1199378419.db2.gz HSGVBTCYOXQXRA-RYQLBKOJSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000672974931 1199378421 /nfs/dbraw/zinc/37/84/21/1199378421.db2.gz HSGVBTCYOXQXRA-RYQLBKOJSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673176982 1199463616 /nfs/dbraw/zinc/46/36/16/1199463616.db2.gz QBAAJPZJWNUEMW-CRAIPNDOSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673176982 1199463621 /nfs/dbraw/zinc/46/36/21/1199463621.db2.gz QBAAJPZJWNUEMW-CRAIPNDOSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000079100262 1199477295 /nfs/dbraw/zinc/47/72/95/1199477295.db2.gz CLLASLXTAYHNNR-MOPGFXCFSA-N 2 2 383.581 0.914 20 0 GCADLP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000673270056 1199513229 /nfs/dbraw/zinc/51/32/29/1199513229.db2.gz WIRYWXAUCSMHRM-GOSISDBHSA-N 2 2 382.549 0.935 20 0 GCADLP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673283467 1199515681 /nfs/dbraw/zinc/51/56/81/1199515681.db2.gz IPFRGSRKCZYCPY-GOSISDBHSA-N 2 2 376.501 0.764 20 0 GCADLP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673283467 1199515689 /nfs/dbraw/zinc/51/56/89/1199515689.db2.gz IPFRGSRKCZYCPY-GOSISDBHSA-N 2 2 376.501 0.764 20 0 GCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673302933 1199527936 /nfs/dbraw/zinc/52/79/36/1199527936.db2.gz ZXNSEDFGOUCOHX-INIZCTEOSA-N 2 2 380.452 0.520 20 0 GCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673303855 1199528974 /nfs/dbraw/zinc/52/89/74/1199528974.db2.gz LBSUFDOEQXADQS-IRXDYDNUSA-N 2 2 389.500 0.346 20 0 GCADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000079983857 1199561442 /nfs/dbraw/zinc/56/14/42/1199561442.db2.gz IQNHHSQNFZZSDQ-QGZVFWFLSA-N 2 2 375.521 0.630 20 0 GCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000079983857 1199561448 /nfs/dbraw/zinc/56/14/48/1199561448.db2.gz IQNHHSQNFZZSDQ-QGZVFWFLSA-N 2 2 375.521 0.630 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001003748962 1199651436 /nfs/dbraw/zinc/65/14/36/1199651436.db2.gz JLWMWKBAHMBMOU-VQHPVUNQSA-N 2 2 375.473 0.100 20 0 GCADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069266523 1199681292 /nfs/dbraw/zinc/68/12/92/1199681292.db2.gz AYLQSPWCRMWKNU-SFHVURJKSA-N 2 2 394.560 0.890 20 0 GCADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069266523 1199681296 /nfs/dbraw/zinc/68/12/96/1199681296.db2.gz AYLQSPWCRMWKNU-SFHVURJKSA-N 2 2 394.560 0.890 20 0 GCADLP Cc1nn(C)c(C)c1C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069786123 1199731989 /nfs/dbraw/zinc/73/19/89/1199731989.db2.gz VWFVSVZEQQUDRL-UHFFFAOYSA-N 2 2 392.529 0.674 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)c2)CC1 ZINC000118101794 1199742722 /nfs/dbraw/zinc/74/27/22/1199742722.db2.gz LQPGZUHCYSVMIH-IBGZPJMESA-N 2 2 387.528 0.829 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001004210985 1199812687 /nfs/dbraw/zinc/81/26/87/1199812687.db2.gz LCLQYOXYZZZXIW-ZACQAIPSSA-N 2 2 375.473 0.162 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001004214337 1199817707 /nfs/dbraw/zinc/81/77/07/1199817707.db2.gz AXPOHVQNASBCTL-HHARLNAUSA-N 2 2 382.468 0.977 20 0 GCADLP CC[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)C1 ZINC001004215144 1199818744 /nfs/dbraw/zinc/81/87/44/1199818744.db2.gz HELNFBVEHKETMM-NCOADZHNSA-N 2 2 375.473 0.160 20 0 GCADLP CC[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)C1 ZINC001004215144 1199818752 /nfs/dbraw/zinc/81/87/52/1199818752.db2.gz HELNFBVEHKETMM-NCOADZHNSA-N 2 2 375.473 0.160 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001004217210 1199820936 /nfs/dbraw/zinc/82/09/36/1199820936.db2.gz WUWSQPPUFLCCFG-AHCXZYCDSA-N 2 2 382.468 0.899 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](CC)C[C@H]3C)O2)[C@H](C)C1 ZINC000329383988 1199840838 /nfs/dbraw/zinc/84/08/38/1199840838.db2.gz OUGKLBFZNAGWAQ-TVFCKZIOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](CC)C[C@H]3C)O2)[C@H](C)C1 ZINC000329383988 1199840840 /nfs/dbraw/zinc/84/08/40/1199840840.db2.gz OUGKLBFZNAGWAQ-TVFCKZIOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](CC)C[C@H]3C)O2)[C@H](C)C1 ZINC000329383988 1199840842 /nfs/dbraw/zinc/84/08/42/1199840842.db2.gz OUGKLBFZNAGWAQ-TVFCKZIOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](CC)C[C@H]3C)O2)[C@H](C)C1 ZINC000329383988 1199840845 /nfs/dbraw/zinc/84/08/45/1199840845.db2.gz OUGKLBFZNAGWAQ-TVFCKZIOSA-N 2 2 380.533 0.639 20 0 GCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)O1 ZINC000330266820 1199854991 /nfs/dbraw/zinc/85/49/91/1199854991.db2.gz AHMIWDAZIUWHSM-OBRKIGFESA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)O1 ZINC000330266820 1199855000 /nfs/dbraw/zinc/85/50/00/1199855000.db2.gz AHMIWDAZIUWHSM-OBRKIGFESA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)O1 ZINC000330266820 1199855001 /nfs/dbraw/zinc/85/50/01/1199855001.db2.gz AHMIWDAZIUWHSM-OBRKIGFESA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)O1 ZINC000330266820 1199855002 /nfs/dbraw/zinc/85/50/02/1199855002.db2.gz AHMIWDAZIUWHSM-OBRKIGFESA-N 2 2 380.533 0.636 20 0 GCADLP CN(C)S(=O)(=O)n1cnc(-c2ccccc2NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168740393 1199925172 /nfs/dbraw/zinc/92/51/72/1199925172.db2.gz HKMAHKRWZYOOCG-UHFFFAOYSA-N 2 2 391.501 0.799 20 0 GCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cn1 ZINC000673680738 1199929044 /nfs/dbraw/zinc/92/90/44/1199929044.db2.gz XQWNYMBEDOYZOW-GOSISDBHSA-N 2 2 399.499 0.559 20 0 GCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cn1 ZINC000673680738 1199929046 /nfs/dbraw/zinc/92/90/46/1199929046.db2.gz XQWNYMBEDOYZOW-GOSISDBHSA-N 2 2 399.499 0.559 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673872077 1199963733 /nfs/dbraw/zinc/96/37/33/1199963733.db2.gz IHKJDSXNXSMZTF-ZWKOTPCHSA-N 2 2 392.504 0.278 20 0 GCADLP CN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625503865 1199984821 /nfs/dbraw/zinc/98/48/21/1199984821.db2.gz NJTQRYPAFSIZCC-RDJZCZTQSA-N 2 2 388.516 0.400 20 0 GCADLP CN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625503865 1199984825 /nfs/dbraw/zinc/98/48/25/1199984825.db2.gz NJTQRYPAFSIZCC-RDJZCZTQSA-N 2 2 388.516 0.400 20 0 GCADLP CN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625503866 1199985021 /nfs/dbraw/zinc/98/50/21/1199985021.db2.gz NJTQRYPAFSIZCC-WBVHZDCISA-N 2 2 388.516 0.400 20 0 GCADLP CN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625503866 1199985027 /nfs/dbraw/zinc/98/50/27/1199985027.db2.gz NJTQRYPAFSIZCC-WBVHZDCISA-N 2 2 388.516 0.400 20 0 GCADLP O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000625708544 1200163084 /nfs/dbraw/zinc/16/30/84/1200163084.db2.gz VKNUIRDTGMCMRG-IRXDYDNUSA-N 2 2 379.526 0.707 20 0 GCADLP COC1CC[NH+](CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000674317787 1200223451 /nfs/dbraw/zinc/22/34/51/1200223451.db2.gz OMNVFOJFILPTEU-UHFFFAOYSA-N 2 2 380.493 0.448 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000670502803 1200378392 /nfs/dbraw/zinc/37/83/92/1200378392.db2.gz CTBNWDAUHJYIHO-OALUTQOASA-N 2 2 388.512 0.729 20 0 GCADLP CS(=O)(=O)N[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000041622452 1200387729 /nfs/dbraw/zinc/38/77/29/1200387729.db2.gz CVRRRVQHHBPBAS-MRXNPFEDSA-N 2 2 395.529 0.134 20 0 GCADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000041622452 1200387735 /nfs/dbraw/zinc/38/77/35/1200387735.db2.gz CVRRRVQHHBPBAS-MRXNPFEDSA-N 2 2 395.529 0.134 20 0 GCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000670526867 1200403771 /nfs/dbraw/zinc/40/37/71/1200403771.db2.gz AHUZHCYJIDHVNR-WMZOPIPTSA-N 2 2 392.544 0.737 20 0 GCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000670526867 1200403778 /nfs/dbraw/zinc/40/37/78/1200403778.db2.gz AHUZHCYJIDHVNR-WMZOPIPTSA-N 2 2 392.544 0.737 20 0 GCADLP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000675536161 1200427370 /nfs/dbraw/zinc/42/73/70/1200427370.db2.gz HEKFJCYYGATMCH-QGZVFWFLSA-N 3 2 381.565 0.689 20 0 GCADLP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000675536161 1200427375 /nfs/dbraw/zinc/42/73/75/1200427375.db2.gz HEKFJCYYGATMCH-QGZVFWFLSA-N 3 2 381.565 0.689 20 0 GCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000675715340 1200455038 /nfs/dbraw/zinc/45/50/38/1200455038.db2.gz ZRZSZIODKCSPPM-YDZRNGNQSA-N 2 2 380.533 0.870 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000676047695 1200480571 /nfs/dbraw/zinc/48/05/71/1200480571.db2.gz UDSDKTCVXOANMZ-IHPCNDPISA-N 3 2 393.576 0.832 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000676047695 1200480576 /nfs/dbraw/zinc/48/05/76/1200480576.db2.gz UDSDKTCVXOANMZ-IHPCNDPISA-N 3 2 393.576 0.832 20 0 GCADLP O=S(=O)(c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1)N1CCOCC1 ZINC000676238707 1200511925 /nfs/dbraw/zinc/51/19/25/1200511925.db2.gz VJFXAHOYJKMSTG-KRWDZBQOSA-N 2 2 383.514 0.254 20 0 GCADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676243187 1200514370 /nfs/dbraw/zinc/51/43/70/1200514370.db2.gz FFFWUJSQKURJKM-PKOBYXMFSA-N 3 2 390.532 0.612 20 0 GCADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243187 1200514377 /nfs/dbraw/zinc/51/43/77/1200514377.db2.gz FFFWUJSQKURJKM-PKOBYXMFSA-N 3 2 390.532 0.612 20 0 GCADLP C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000676246592 1200514484 /nfs/dbraw/zinc/51/44/84/1200514484.db2.gz XBBQWPMIRKILGO-DFQSSKMNSA-N 2 2 389.544 0.993 20 0 GCADLP C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246592 1200514489 /nfs/dbraw/zinc/51/44/89/1200514489.db2.gz XBBQWPMIRKILGO-DFQSSKMNSA-N 2 2 389.544 0.993 20 0 GCADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243179 1200514698 /nfs/dbraw/zinc/51/46/98/1200514698.db2.gz FFFWUJSQKURJKM-HKUYNNGSSA-N 3 2 390.532 0.612 20 0 GCADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243179 1200514707 /nfs/dbraw/zinc/51/47/07/1200514707.db2.gz FFFWUJSQKURJKM-HKUYNNGSSA-N 3 2 390.532 0.612 20 0 GCADLP O=C1C[C@H]([NH2+]Cc2ccc(-n3cncn3)c(F)c2)CN1CC[NH+]1CCOCC1 ZINC000676420005 1200556875 /nfs/dbraw/zinc/55/68/75/1200556875.db2.gz ZNMFNGQTDYSSBF-INIZCTEOSA-N 2 2 388.447 0.429 20 0 GCADLP C[NH+](C)C1(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000923006503 1200706695 /nfs/dbraw/zinc/70/66/95/1200706695.db2.gz AIBXQHAUVVXAND-UHFFFAOYSA-N 2 2 389.504 0.239 20 0 GCADLP C[NH+](C)C1(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000923006503 1200706698 /nfs/dbraw/zinc/70/66/98/1200706698.db2.gz AIBXQHAUVVXAND-UHFFFAOYSA-N 2 2 389.504 0.239 20 0 GCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511901281 1200863285 /nfs/dbraw/zinc/86/32/85/1200863285.db2.gz HJUOXOKJIZYONL-CQSZACIVSA-N 2 2 377.408 0.996 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329297492 1200878227 /nfs/dbraw/zinc/87/82/27/1200878227.db2.gz PBFDCTNVBIVACD-KRWDZBQOSA-N 2 2 376.505 1.165 20 0 GCADLP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000923437619 1201001286 /nfs/dbraw/zinc/00/12/86/1201001286.db2.gz VFMOSUXGIFLJOQ-QLFBSQMISA-N 2 2 386.504 0.083 20 0 GCADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438331982 1201041164 /nfs/dbraw/zinc/04/11/64/1201041164.db2.gz PCXTWSCPTZKRQQ-UHFFFAOYSA-N 2 2 375.477 1.322 20 0 GCADLP CS[C@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1[NH+](C)C ZINC000329570428 1201046031 /nfs/dbraw/zinc/04/60/31/1201046031.db2.gz MGSXFVVGURSMSQ-CABCVRRESA-N 2 2 382.534 0.725 20 0 GCADLP CN(C(=O)C(=O)NCC[C@@H]1CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000867441620 1201184431 /nfs/dbraw/zinc/18/44/31/1201184431.db2.gz TVYUBLQTQDFTTM-WBVHZDCISA-N 2 2 382.574 0.873 20 0 GCADLP CN(C(=O)C(=O)NCC[C@@H]1CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000867441620 1201184432 /nfs/dbraw/zinc/18/44/32/1201184432.db2.gz TVYUBLQTQDFTTM-WBVHZDCISA-N 2 2 382.574 0.873 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC2)O1 ZINC001063496849 1201195357 /nfs/dbraw/zinc/19/53/57/1201195357.db2.gz IZNBIWYKPRAYSK-KCYZZUKISA-N 2 2 389.500 0.398 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC2)O1 ZINC001063496849 1201195361 /nfs/dbraw/zinc/19/53/61/1201195361.db2.gz IZNBIWYKPRAYSK-KCYZZUKISA-N 2 2 389.500 0.398 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079261800 1201250546 /nfs/dbraw/zinc/25/05/46/1201250546.db2.gz JGPSCMGZOCMCBM-VXIBKDFQSA-N 2 2 388.512 0.845 20 0 GCADLP C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951279 1201259979 /nfs/dbraw/zinc/25/99/79/1201259979.db2.gz DWKHWMHUKKJLCC-BQGCOEIASA-N 2 2 389.500 0.715 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951279 1201259987 /nfs/dbraw/zinc/25/99/87/1201259987.db2.gz DWKHWMHUKKJLCC-BQGCOEIASA-N 2 2 389.500 0.715 20 0 GCADLP C[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951279 1201259993 /nfs/dbraw/zinc/25/99/93/1201259993.db2.gz DWKHWMHUKKJLCC-BQGCOEIASA-N 2 2 389.500 0.715 20 0 GCADLP C[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951279 1201260002 /nfs/dbraw/zinc/26/00/02/1201260002.db2.gz DWKHWMHUKKJLCC-BQGCOEIASA-N 2 2 389.500 0.715 20 0 GCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001080484134 1201276001 /nfs/dbraw/zinc/27/60/01/1201276001.db2.gz PTQCAFDZTQPCRB-OQIJWPOYSA-N 2 2 393.553 0.813 20 0 GCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001080484134 1201276008 /nfs/dbraw/zinc/27/60/08/1201276008.db2.gz PTQCAFDZTQPCRB-OQIJWPOYSA-N 2 2 393.553 0.813 20 0 GCADLP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001080484134 1201276013 /nfs/dbraw/zinc/27/60/13/1201276013.db2.gz PTQCAFDZTQPCRB-OQIJWPOYSA-N 2 2 393.553 0.813 20 0 GCADLP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001080484134 1201276016 /nfs/dbraw/zinc/27/60/16/1201276016.db2.gz PTQCAFDZTQPCRB-OQIJWPOYSA-N 2 2 393.553 0.813 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]Cc3cnon3)C2)O1 ZINC001081133659 1201294656 /nfs/dbraw/zinc/29/46/56/1201294656.db2.gz DHYZEYQUZADFPN-ZWQIFLOQSA-N 2 2 385.468 0.873 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]Cc3cnon3)C2)O1 ZINC001081133659 1201294660 /nfs/dbraw/zinc/29/46/60/1201294660.db2.gz DHYZEYQUZADFPN-ZWQIFLOQSA-N 2 2 385.468 0.873 20 0 GCADLP COc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)c(C)n1 ZINC001081691554 1201299326 /nfs/dbraw/zinc/29/93/26/1201299326.db2.gz CSONDOCNRYCCIJ-MWQQHZPXSA-N 2 2 377.489 0.449 20 0 GCADLP COc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)c(C)n1 ZINC001081691554 1201299332 /nfs/dbraw/zinc/29/93/32/1201299332.db2.gz CSONDOCNRYCCIJ-MWQQHZPXSA-N 2 2 377.489 0.449 20 0 GCADLP COc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](OC)C2)c(C)n1 ZINC001081691554 1201299334 /nfs/dbraw/zinc/29/93/34/1201299334.db2.gz CSONDOCNRYCCIJ-MWQQHZPXSA-N 2 2 377.489 0.449 20 0 GCADLP COc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](OC)C2)c(C)n1 ZINC001081691554 1201299336 /nfs/dbraw/zinc/29/93/36/1201299336.db2.gz CSONDOCNRYCCIJ-MWQQHZPXSA-N 2 2 377.489 0.449 20 0 GCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001082159365 1201324643 /nfs/dbraw/zinc/32/46/43/1201324643.db2.gz CBWIJZGVMXZLPY-FCGDIQPGSA-N 2 2 388.512 0.235 20 0 GCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001082159365 1201324648 /nfs/dbraw/zinc/32/46/48/1201324648.db2.gz CBWIJZGVMXZLPY-FCGDIQPGSA-N 2 2 388.512 0.235 20 0 GCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001082159365 1201324652 /nfs/dbraw/zinc/32/46/52/1201324652.db2.gz CBWIJZGVMXZLPY-FCGDIQPGSA-N 2 2 388.512 0.235 20 0 GCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001082159365 1201324655 /nfs/dbraw/zinc/32/46/55/1201324655.db2.gz CBWIJZGVMXZLPY-FCGDIQPGSA-N 2 2 388.512 0.235 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082572217 1201337193 /nfs/dbraw/zinc/33/71/93/1201337193.db2.gz SEYSTKSCHXCBSB-DNNBLBMLSA-N 2 2 380.514 0.775 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082572217 1201337201 /nfs/dbraw/zinc/33/72/01/1201337201.db2.gz SEYSTKSCHXCBSB-DNNBLBMLSA-N 2 2 380.514 0.775 20 0 GCADLP COCc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)cs1 ZINC001082590089 1201338570 /nfs/dbraw/zinc/33/85/70/1201338570.db2.gz BNTIUXNYPRSFJC-RRCSTGOVSA-N 2 2 382.530 0.945 20 0 GCADLP COCc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)cs1 ZINC001082590089 1201338576 /nfs/dbraw/zinc/33/85/76/1201338576.db2.gz BNTIUXNYPRSFJC-RRCSTGOVSA-N 2 2 382.530 0.945 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC001082590190 1201338813 /nfs/dbraw/zinc/33/88/13/1201338813.db2.gz IECQSZLJWPOEAF-OHDICMOHSA-N 2 2 375.517 0.875 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC001082590190 1201338819 /nfs/dbraw/zinc/33/88/19/1201338819.db2.gz IECQSZLJWPOEAF-OHDICMOHSA-N 2 2 375.517 0.875 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc2n1CCCCC2 ZINC001082590396 1201340168 /nfs/dbraw/zinc/34/01/68/1201340168.db2.gz UMOVKAZCCINDKT-QBPKDAKJSA-N 2 2 390.532 0.660 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc2n1CCCCC2 ZINC001082590396 1201340180 /nfs/dbraw/zinc/34/01/80/1201340180.db2.gz UMOVKAZCCINDKT-QBPKDAKJSA-N 2 2 390.532 0.660 20 0 GCADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001082657279 1201342538 /nfs/dbraw/zinc/34/25/38/1201342538.db2.gz QSYIZJUANKZXNS-AXUOBQJMSA-N 2 2 392.500 0.799 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]Cc1nccn1C ZINC001082657022 1201342748 /nfs/dbraw/zinc/34/27/48/1201342748.db2.gz GMAMPIFOQUHQQO-TVFCKZIOSA-N 2 2 391.516 0.236 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccnc(N(C)C)c4)C[C@@H]32)CC[N@@H+]1C ZINC001083086305 1201384231 /nfs/dbraw/zinc/38/42/31/1201384231.db2.gz KUYYZKNAPPAMJJ-OQIJWPOYSA-N 2 2 387.528 0.899 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccnc(N(C)C)c4)C[C@@H]32)CC[N@H+]1C ZINC001083086305 1201384235 /nfs/dbraw/zinc/38/42/35/1201384235.db2.gz KUYYZKNAPPAMJJ-OQIJWPOYSA-N 2 2 387.528 0.899 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccnc(N(C)C)c4)C[C@@H]32)CC[NH+]1C ZINC001083086305 1201384238 /nfs/dbraw/zinc/38/42/38/1201384238.db2.gz KUYYZKNAPPAMJJ-OQIJWPOYSA-N 2 2 387.528 0.899 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccnc(N(C)C)c4)C[C@@H]32)CC[NH+]1C ZINC001083086305 1201384241 /nfs/dbraw/zinc/38/42/41/1201384241.db2.gz KUYYZKNAPPAMJJ-OQIJWPOYSA-N 2 2 387.528 0.899 20 0 GCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513467 1201403812 /nfs/dbraw/zinc/40/38/12/1201403812.db2.gz ZPXIMOHDWURISN-FGDFAXGYSA-N 2 2 380.577 0.699 20 0 GCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513467 1201403815 /nfs/dbraw/zinc/40/38/15/1201403815.db2.gz ZPXIMOHDWURISN-FGDFAXGYSA-N 2 2 380.577 0.699 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084671417 1201432657 /nfs/dbraw/zinc/43/26/57/1201432657.db2.gz SDSMNDAICHJQOJ-KCYZZUKISA-N 2 2 385.468 0.205 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084671417 1201432666 /nfs/dbraw/zinc/43/26/66/1201432666.db2.gz SDSMNDAICHJQOJ-KCYZZUKISA-N 2 2 385.468 0.205 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CC1 ZINC000731201250 1201476089 /nfs/dbraw/zinc/47/60/89/1201476089.db2.gz ONEPPMCGYNOQPJ-UHFFFAOYSA-N 2 2 380.533 0.502 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C4CC4)[C@H]3C2)O1 ZINC001084970265 1201518198 /nfs/dbraw/zinc/51/81/98/1201518198.db2.gz XAVBUQKSCMBTII-XYVMCAHJSA-N 2 2 378.517 0.249 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C4CC4)[C@H]3C2)O1 ZINC001084970265 1201518202 /nfs/dbraw/zinc/51/82/02/1201518202.db2.gz XAVBUQKSCMBTII-XYVMCAHJSA-N 2 2 378.517 0.249 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C4CC4)[C@H]3C2)O1 ZINC001084970265 1201518205 /nfs/dbraw/zinc/51/82/05/1201518205.db2.gz XAVBUQKSCMBTII-XYVMCAHJSA-N 2 2 378.517 0.249 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)[C@H]3C2)O1 ZINC001084970265 1201518211 /nfs/dbraw/zinc/51/82/11/1201518211.db2.gz XAVBUQKSCMBTII-XYVMCAHJSA-N 2 2 378.517 0.249 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3csc(-c4nc[nH]n4)n3)C2)CC1 ZINC000732778836 1201560618 /nfs/dbraw/zinc/56/06/18/1201560618.db2.gz KBIDHLBFVZSPNW-LBPRGKRZSA-N 2 2 375.502 0.755 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3csc(-c4nc[nH]n4)n3)C2)CC1 ZINC000732778836 1201560622 /nfs/dbraw/zinc/56/06/22/1201560622.db2.gz KBIDHLBFVZSPNW-LBPRGKRZSA-N 2 2 375.502 0.755 20 0 GCADLP CCOC(Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1)OCC ZINC000732779706 1201560747 /nfs/dbraw/zinc/56/07/47/1201560747.db2.gz ZJKINLYETHXTGZ-OAHLLOKOSA-N 2 2 394.520 0.576 20 0 GCADLP CCOC(Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1)OCC ZINC000732779706 1201560753 /nfs/dbraw/zinc/56/07/53/1201560753.db2.gz ZJKINLYETHXTGZ-OAHLLOKOSA-N 2 2 394.520 0.576 20 0 GCADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000732896501 1201567106 /nfs/dbraw/zinc/56/71/06/1201567106.db2.gz ORWYBBNUGCGPNY-UHFFFAOYSA-N 2 2 391.541 0.542 20 0 GCADLP C[NH+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065713468 1201631334 /nfs/dbraw/zinc/63/13/34/1201631334.db2.gz UESIHOAKRMPPEG-UQZKUAJDSA-N 2 2 390.528 0.107 20 0 GCADLP CCCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242354 1201647936 /nfs/dbraw/zinc/64/79/36/1201647936.db2.gz OEVYRFMWYYNKJQ-QBPKDAKJSA-N 2 2 378.521 0.924 20 0 GCADLP CCCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085242354 1201647939 /nfs/dbraw/zinc/64/79/39/1201647939.db2.gz OEVYRFMWYYNKJQ-QBPKDAKJSA-N 2 2 378.521 0.924 20 0 GCADLP CCN1C(=O)CN(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000736280075 1201713188 /nfs/dbraw/zinc/71/31/88/1201713188.db2.gz PGHAEGFQULTQIF-UHFFFAOYSA-N 2 2 379.505 0.494 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000741408114 1201777864 /nfs/dbraw/zinc/77/78/64/1201777864.db2.gz OPWCSMWJAWPHIE-XLIONFOSSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000741408114 1201777869 /nfs/dbraw/zinc/77/78/69/1201777869.db2.gz OPWCSMWJAWPHIE-XLIONFOSSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000741408114 1201777871 /nfs/dbraw/zinc/77/78/71/1201777871.db2.gz OPWCSMWJAWPHIE-XLIONFOSSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000741408114 1201777873 /nfs/dbraw/zinc/77/78/73/1201777873.db2.gz OPWCSMWJAWPHIE-XLIONFOSSA-N 2 2 376.501 0.643 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000188957981 1201908917 /nfs/dbraw/zinc/90/89/17/1201908917.db2.gz KMFBIPBDXGESHW-UHFFFAOYSA-N 2 2 376.505 0.716 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000188957981 1201908920 /nfs/dbraw/zinc/90/89/20/1201908920.db2.gz KMFBIPBDXGESHW-UHFFFAOYSA-N 2 2 376.505 0.716 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000746354957 1201912687 /nfs/dbraw/zinc/91/26/87/1201912687.db2.gz OWXCUAOHRCTKLW-CQSZACIVSA-N 2 2 375.477 0.811 20 0 GCADLP Cc1cc(C)n(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000106041402 1201918719 /nfs/dbraw/zinc/91/87/19/1201918719.db2.gz XTFCKXAIQBSYQD-UHFFFAOYSA-N 2 2 390.532 0.197 20 0 GCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1 ZINC001169071462 1201931982 /nfs/dbraw/zinc/93/19/82/1201931982.db2.gz FNWLPFODTRDTAO-MRXNPFEDSA-N 2 2 397.458 0.990 20 0 GCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1[nH+]ccn1C ZINC001169194769 1201936280 /nfs/dbraw/zinc/93/62/80/1201936280.db2.gz DSYIQMMWUIWBLQ-CQSZACIVSA-N 2 2 387.488 0.558 20 0 GCADLP CCN(CC)C(=O)C[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001169457297 1201949130 /nfs/dbraw/zinc/94/91/30/1201949130.db2.gz CPCBRMKEMLEXNO-BPUTZDHNSA-N 2 2 392.504 0.049 20 0 GCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000804352048 1201969971 /nfs/dbraw/zinc/96/99/71/1201969971.db2.gz NNNKXXFUAZWNBX-INIZCTEOSA-N 2 2 391.516 0.743 20 0 GCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000804352049 1201970057 /nfs/dbraw/zinc/97/00/57/1201970057.db2.gz NNNKXXFUAZWNBX-MRXNPFEDSA-N 2 2 391.516 0.743 20 0 GCADLP CCOC1CC(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)([NH+]2CCOCC2)C1 ZINC000767802682 1201988682 /nfs/dbraw/zinc/98/86/82/1201988682.db2.gz XJFJFUIDHFSQSB-SARBKMAYSA-N 2 2 396.532 0.419 20 0 GCADLP CCOC1CC(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)([NH+]2CCOCC2)C1 ZINC000767802682 1201988684 /nfs/dbraw/zinc/98/86/84/1201988684.db2.gz XJFJFUIDHFSQSB-SARBKMAYSA-N 2 2 396.532 0.419 20 0 GCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294553 1202015212 /nfs/dbraw/zinc/01/52/12/1202015212.db2.gz RMEMOJWNUUBGAZ-BDXSIMOUSA-N 2 2 378.517 0.202 20 0 GCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294553 1202015213 /nfs/dbraw/zinc/01/52/13/1202015213.db2.gz RMEMOJWNUUBGAZ-BDXSIMOUSA-N 2 2 378.517 0.202 20 0 GCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109302258 1202017574 /nfs/dbraw/zinc/01/75/74/1202017574.db2.gz ZNJVNTVKAINQTI-PVAVHDDUSA-N 2 2 376.505 0.304 20 0 GCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109302258 1202017577 /nfs/dbraw/zinc/01/75/77/1202017577.db2.gz ZNJVNTVKAINQTI-PVAVHDDUSA-N 2 2 376.505 0.304 20 0 GCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400728 1202038229 /nfs/dbraw/zinc/03/82/29/1202038229.db2.gz SDJNTOAAERTAOK-OWSLCNJRSA-N 2 2 379.505 0.198 20 0 GCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400728 1202038232 /nfs/dbraw/zinc/03/82/32/1202038232.db2.gz SDJNTOAAERTAOK-OWSLCNJRSA-N 2 2 379.505 0.198 20 0 GCADLP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402097 1202038463 /nfs/dbraw/zinc/03/84/63/1202038463.db2.gz HXRWSISNFNJDJT-YVSFHVDLSA-N 2 2 380.533 0.733 20 0 GCADLP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402097 1202038466 /nfs/dbraw/zinc/03/84/66/1202038466.db2.gz HXRWSISNFNJDJT-YVSFHVDLSA-N 2 2 380.533 0.733 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403578 1202039184 /nfs/dbraw/zinc/03/91/84/1202039184.db2.gz NOQBUMBEBGPKKZ-ILXRZTDVSA-N 2 2 379.505 0.428 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403578 1202039186 /nfs/dbraw/zinc/03/91/86/1202039186.db2.gz NOQBUMBEBGPKKZ-ILXRZTDVSA-N 2 2 379.505 0.428 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410648 1202039610 /nfs/dbraw/zinc/03/96/10/1202039610.db2.gz NURSVSAJECTZBJ-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410648 1202039611 /nfs/dbraw/zinc/03/96/11/1202039611.db2.gz NURSVSAJECTZBJ-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109410648 1202039612 /nfs/dbraw/zinc/03/96/12/1202039612.db2.gz NURSVSAJECTZBJ-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109410648 1202039614 /nfs/dbraw/zinc/03/96/14/1202039614.db2.gz NURSVSAJECTZBJ-PMPSAXMXSA-N 2 2 379.505 0.428 20 0 GCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442958 1202051759 /nfs/dbraw/zinc/05/17/59/1202051759.db2.gz ORSKPDOVIYDVPD-ILXRZTDVSA-N 2 2 377.489 0.040 20 0 GCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442958 1202051760 /nfs/dbraw/zinc/05/17/60/1202051760.db2.gz ORSKPDOVIYDVPD-ILXRZTDVSA-N 2 2 377.489 0.040 20 0 GCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449216 1202051855 /nfs/dbraw/zinc/05/18/55/1202051855.db2.gz KIYLGLZHMSRBPG-IKGGRYGDSA-N 2 2 380.533 0.593 20 0 GCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449216 1202051856 /nfs/dbraw/zinc/05/18/56/1202051856.db2.gz KIYLGLZHMSRBPG-IKGGRYGDSA-N 2 2 380.533 0.593 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)O1 ZINC001109443181 1202051941 /nfs/dbraw/zinc/05/19/41/1202051941.db2.gz YBZRAQLFXGHDCE-UHDSXZAQSA-N 2 2 395.548 0.525 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)O1 ZINC001109443181 1202051944 /nfs/dbraw/zinc/05/19/44/1202051944.db2.gz YBZRAQLFXGHDCE-UHDSXZAQSA-N 2 2 395.548 0.525 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)O1 ZINC001109443181 1202051946 /nfs/dbraw/zinc/05/19/46/1202051946.db2.gz YBZRAQLFXGHDCE-UHDSXZAQSA-N 2 2 395.548 0.525 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)O1 ZINC001109443181 1202051949 /nfs/dbraw/zinc/05/19/49/1202051949.db2.gz YBZRAQLFXGHDCE-UHDSXZAQSA-N 2 2 395.548 0.525 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000770273046 1202090885 /nfs/dbraw/zinc/09/08/85/1202090885.db2.gz XAOOMXKLCFNTCB-AWEZNQCLSA-N 2 2 375.473 0.766 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000770273046 1202090887 /nfs/dbraw/zinc/09/08/87/1202090887.db2.gz XAOOMXKLCFNTCB-AWEZNQCLSA-N 2 2 375.473 0.766 20 0 GCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639684 1202095312 /nfs/dbraw/zinc/09/53/12/1202095312.db2.gz YWOYEALWEQJJBO-OWSLCNJRSA-N 2 2 380.533 0.733 20 0 GCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639684 1202095315 /nfs/dbraw/zinc/09/53/15/1202095315.db2.gz YWOYEALWEQJJBO-OWSLCNJRSA-N 2 2 380.533 0.733 20 0 GCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639684 1202095317 /nfs/dbraw/zinc/09/53/17/1202095317.db2.gz YWOYEALWEQJJBO-OWSLCNJRSA-N 2 2 380.533 0.733 20 0 GCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639684 1202095319 /nfs/dbraw/zinc/09/53/19/1202095319.db2.gz YWOYEALWEQJJBO-OWSLCNJRSA-N 2 2 380.533 0.733 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671450 1202103417 /nfs/dbraw/zinc/10/34/17/1202103417.db2.gz JLIKYRGDRRERMP-UKMLZYKCSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671450 1202103420 /nfs/dbraw/zinc/10/34/20/1202103420.db2.gz JLIKYRGDRRERMP-UKMLZYKCSA-N 2 2 379.505 0.284 20 0 GCADLP COC(=O)C[C@]1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC000770698257 1202109122 /nfs/dbraw/zinc/10/91/22/1202109122.db2.gz DRVAMEJKNYEHRQ-HXUWFJFHSA-N 2 2 390.484 0.822 20 0 GCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1)[NH+](CC)CC ZINC001109714477 1202110319 /nfs/dbraw/zinc/11/03/19/1202110319.db2.gz MBCJYIIROXQEAL-OWSLCNJRSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1)[NH+](CC)CC ZINC001109714477 1202110320 /nfs/dbraw/zinc/11/03/20/1202110320.db2.gz MBCJYIIROXQEAL-OWSLCNJRSA-N 2 2 380.533 0.687 20 0 GCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724575 1202110399 /nfs/dbraw/zinc/11/03/99/1202110399.db2.gz ZKWBGZONELDBBG-ILXRZTDVSA-N 2 2 381.521 0.532 20 0 GCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724575 1202110402 /nfs/dbraw/zinc/11/04/02/1202110402.db2.gz ZKWBGZONELDBBG-ILXRZTDVSA-N 2 2 381.521 0.532 20 0 GCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724575 1202110403 /nfs/dbraw/zinc/11/04/03/1202110403.db2.gz ZKWBGZONELDBBG-ILXRZTDVSA-N 2 2 381.521 0.532 20 0 GCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724575 1202110404 /nfs/dbraw/zinc/11/04/04/1202110404.db2.gz ZKWBGZONELDBBG-ILXRZTDVSA-N 2 2 381.521 0.532 20 0 GCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1cc(C[NH+]2CCCC2)on1 ZINC001109719320 1202111246 /nfs/dbraw/zinc/11/12/46/1202111246.db2.gz DDYRYNPADSMNHP-HFTRVMKXSA-N 2 2 378.473 0.614 20 0 GCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1cc(C[NH+]2CCCC2)on1 ZINC001109719320 1202111250 /nfs/dbraw/zinc/11/12/50/1202111250.db2.gz DDYRYNPADSMNHP-HFTRVMKXSA-N 2 2 378.473 0.614 20 0 GCADLP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1C)[NH+]1CCCC1 ZINC001109733939 1202114671 /nfs/dbraw/zinc/11/46/71/1202114671.db2.gz KKEGNSPZSIYJNV-MVJTYMMSSA-N 2 2 376.505 0.538 20 0 GCADLP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1C)[NH+]1CCCC1 ZINC001109733939 1202114676 /nfs/dbraw/zinc/11/46/76/1202114676.db2.gz KKEGNSPZSIYJNV-MVJTYMMSSA-N 2 2 376.505 0.538 20 0 GCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798876 1202124124 /nfs/dbraw/zinc/12/41/24/1202124124.db2.gz WSYWTKGUJBEVHW-SQNIBIBYSA-N 2 2 380.533 0.593 20 0 GCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798876 1202124125 /nfs/dbraw/zinc/12/41/25/1202124125.db2.gz WSYWTKGUJBEVHW-SQNIBIBYSA-N 2 2 380.533 0.593 20 0 GCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001109843498 1202133925 /nfs/dbraw/zinc/13/39/25/1202133925.db2.gz NCZGAPMOMWVKDJ-SQNIBIBYSA-N 2 2 378.517 0.489 20 0 GCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001109843498 1202133930 /nfs/dbraw/zinc/13/39/30/1202133930.db2.gz NCZGAPMOMWVKDJ-SQNIBIBYSA-N 2 2 378.517 0.489 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001109868161 1202140234 /nfs/dbraw/zinc/14/02/34/1202140234.db2.gz DWGWJPXADVXWPZ-OJLVUWQFSA-N 2 2 379.505 0.426 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001109868161 1202140236 /nfs/dbraw/zinc/14/02/36/1202140236.db2.gz DWGWJPXADVXWPZ-OJLVUWQFSA-N 2 2 379.505 0.426 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC(C)C ZINC001109868637 1202140411 /nfs/dbraw/zinc/14/04/11/1202140411.db2.gz ZJWLODJSTNAKNJ-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC(C)C ZINC001109868637 1202140413 /nfs/dbraw/zinc/14/04/13/1202140413.db2.gz ZJWLODJSTNAKNJ-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP CCn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902755 1202147204 /nfs/dbraw/zinc/14/72/04/1202147204.db2.gz ZBDXPJCDGWOJCL-JLSDUUJJSA-N 2 2 376.505 0.630 20 0 GCADLP CCn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902755 1202147205 /nfs/dbraw/zinc/14/72/05/1202147205.db2.gz ZBDXPJCDGWOJCL-JLSDUUJJSA-N 2 2 376.505 0.630 20 0 GCADLP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771766098 1202161989 /nfs/dbraw/zinc/16/19/89/1202161989.db2.gz QIZGTJPNXMXJRI-FHWLQOOXSA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771766098 1202161990 /nfs/dbraw/zinc/16/19/90/1202161990.db2.gz QIZGTJPNXMXJRI-FHWLQOOXSA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000771766098 1202161992 /nfs/dbraw/zinc/16/19/92/1202161992.db2.gz QIZGTJPNXMXJRI-FHWLQOOXSA-N 3 2 379.549 0.660 20 0 GCADLP CN(C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000771766098 1202161994 /nfs/dbraw/zinc/16/19/94/1202161994.db2.gz QIZGTJPNXMXJRI-FHWLQOOXSA-N 3 2 379.549 0.660 20 0 GCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC(C)C ZINC001110022056 1202175701 /nfs/dbraw/zinc/17/57/01/1202175701.db2.gz PHDVSUFZWKLJHJ-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC(C)C ZINC001110022056 1202175703 /nfs/dbraw/zinc/17/57/03/1202175703.db2.gz PHDVSUFZWKLJHJ-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC(C)C ZINC001110022056 1202175704 /nfs/dbraw/zinc/17/57/04/1202175704.db2.gz PHDVSUFZWKLJHJ-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC(C)C ZINC001110022056 1202175705 /nfs/dbraw/zinc/17/57/05/1202175705.db2.gz PHDVSUFZWKLJHJ-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788648631 1205426445 /nfs/dbraw/zinc/42/64/45/1205426445.db2.gz ZJWZGYOLYKTFFY-RDJZCZTQSA-N 2 2 396.532 0.765 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000790191991 1205458329 /nfs/dbraw/zinc/45/83/29/1205458329.db2.gz PAOBTBSFCNPLDA-CQSZACIVSA-N 2 2 391.516 0.323 20 0 GCADLP O=C(C1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1)N1CCOCC1 ZINC000790365247 1205463347 /nfs/dbraw/zinc/46/33/47/1205463347.db2.gz FJGVLGNISHTIFW-FQEVSTJZSA-N 2 2 392.500 0.431 20 0 GCADLP O=C1O[C@]2(CN1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790371176 1205463883 /nfs/dbraw/zinc/46/38/83/1205463883.db2.gz VJOIHPDRCURINO-FQEVSTJZSA-N 3 2 378.517 0.905 20 0 GCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000790507875 1205466589 /nfs/dbraw/zinc/46/65/89/1205466589.db2.gz GDGGESZXFIGAMQ-INIZCTEOSA-N 2 2 388.578 0.915 20 0 GCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000790507875 1205466592 /nfs/dbraw/zinc/46/65/92/1205466592.db2.gz GDGGESZXFIGAMQ-INIZCTEOSA-N 2 2 388.578 0.915 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793701013 1205504415 /nfs/dbraw/zinc/50/44/15/1205504415.db2.gz NNUWPQKBZKTRCT-IEBWSBKVSA-N 3 2 393.576 0.604 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793701013 1205504416 /nfs/dbraw/zinc/50/44/16/1205504416.db2.gz NNUWPQKBZKTRCT-IEBWSBKVSA-N 3 2 393.576 0.604 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000793729575 1205505279 /nfs/dbraw/zinc/50/52/79/1205505279.db2.gz XXYUNZGNGCFPBZ-CVEARBPZSA-N 2 2 382.505 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000793729575 1205505280 /nfs/dbraw/zinc/50/52/80/1205505280.db2.gz XXYUNZGNGCFPBZ-CVEARBPZSA-N 2 2 382.505 0.073 20 0 GCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000793799636 1205506534 /nfs/dbraw/zinc/50/65/34/1205506534.db2.gz BPJUHRZMLGWOGT-QGZVFWFLSA-N 2 2 384.484 0.991 20 0 GCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000793799636 1205506536 /nfs/dbraw/zinc/50/65/36/1205506536.db2.gz BPJUHRZMLGWOGT-QGZVFWFLSA-N 2 2 384.484 0.991 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000793817678 1205507521 /nfs/dbraw/zinc/50/75/21/1205507521.db2.gz RWQCQWOGQXAOSU-UHFFFAOYSA-N 2 2 378.473 0.550 20 0 GCADLP Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000806209420 1205551898 /nfs/dbraw/zinc/55/18/98/1205551898.db2.gz AGFGTUPTWCGCQL-AWEZNQCLSA-N 2 2 393.919 0.944 20 0 GCADLP Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000806209420 1205551899 /nfs/dbraw/zinc/55/18/99/1205551899.db2.gz AGFGTUPTWCGCQL-AWEZNQCLSA-N 2 2 393.919 0.944 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3C3OCCO3)C2)CC1 ZINC000806209803 1205551916 /nfs/dbraw/zinc/55/19/16/1205551916.db2.gz BGQNBJOTZDNSRN-DOTOQJQBSA-N 2 2 394.516 0.025 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3C3OCCO3)C2)CC1 ZINC000806209803 1205551917 /nfs/dbraw/zinc/55/19/17/1205551917.db2.gz BGQNBJOTZDNSRN-DOTOQJQBSA-N 2 2 394.516 0.025 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806502854 1205557714 /nfs/dbraw/zinc/55/77/14/1205557714.db2.gz JDLJXKMMOPDZNO-UHOSZYNNSA-N 3 2 393.576 0.602 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806502854 1205557716 /nfs/dbraw/zinc/55/77/16/1205557716.db2.gz JDLJXKMMOPDZNO-UHOSZYNNSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC1(C)OCCO1 ZINC000807424306 1205580572 /nfs/dbraw/zinc/58/05/72/1205580572.db2.gz XIBANJGKPSNGCV-MRXNPFEDSA-N 2 2 398.548 0.376 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC1(C)OCCO1 ZINC000807424306 1205580575 /nfs/dbraw/zinc/58/05/75/1205580575.db2.gz XIBANJGKPSNGCV-MRXNPFEDSA-N 2 2 398.548 0.376 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc2c1COC2=O ZINC000808938343 1205614890 /nfs/dbraw/zinc/61/48/90/1205614890.db2.gz SYMONETXVYWTHF-UHFFFAOYSA-N 2 2 388.468 0.780 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc2c1COC2=O ZINC000808938343 1205614891 /nfs/dbraw/zinc/61/48/91/1205614891.db2.gz SYMONETXVYWTHF-UHFFFAOYSA-N 2 2 388.468 0.780 20 0 GCADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000809942202 1205631659 /nfs/dbraw/zinc/63/16/59/1205631659.db2.gz FWWPHEPGOWSRIH-IBGZPJMESA-N 2 2 384.521 0.502 20 0 GCADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000809942203 1205631797 /nfs/dbraw/zinc/63/17/97/1205631797.db2.gz FWWPHEPGOWSRIH-LJQANCHMSA-N 2 2 384.521 0.502 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CCO1 ZINC000747586383 1205632892 /nfs/dbraw/zinc/63/28/92/1205632892.db2.gz XPWOMRKYYJNFPN-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CCO1 ZINC000747586383 1205632893 /nfs/dbraw/zinc/63/28/93/1205632893.db2.gz XPWOMRKYYJNFPN-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CCO1 ZINC000747586383 1205632894 /nfs/dbraw/zinc/63/28/94/1205632894.db2.gz XPWOMRKYYJNFPN-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CCO1 ZINC000747586383 1205632895 /nfs/dbraw/zinc/63/28/95/1205632895.db2.gz XPWOMRKYYJNFPN-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810068991 1205634015 /nfs/dbraw/zinc/63/40/15/1205634015.db2.gz DHGQTCCVMLJQKZ-KGLIPLIRSA-N 2 2 378.439 0.930 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810068991 1205634016 /nfs/dbraw/zinc/63/40/16/1205634016.db2.gz DHGQTCCVMLJQKZ-KGLIPLIRSA-N 2 2 378.439 0.930 20 0 GCADLP CN(C(=O)C(=O)Nc1cnnn1C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000810399503 1205636975 /nfs/dbraw/zinc/63/69/75/1205636975.db2.gz RWEGAPGMTBUWSQ-HOTGVXAUSA-N 2 2 391.520 0.549 20 0 GCADLP CN(C(=O)C(=O)Nc1cnnn1C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000810399503 1205636976 /nfs/dbraw/zinc/63/69/76/1205636976.db2.gz RWEGAPGMTBUWSQ-HOTGVXAUSA-N 2 2 391.520 0.549 20 0 GCADLP CON(C)C(=O)C1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000812872032 1205669539 /nfs/dbraw/zinc/66/95/39/1205669539.db2.gz LOXSBJQTHNMPFA-MRXNPFEDSA-N 2 2 389.500 0.851 20 0 GCADLP CCOC(=O)N1CCN(C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)CC1 ZINC000815208919 1205699391 /nfs/dbraw/zinc/69/93/91/1205699391.db2.gz GFSQVTVRHWYICP-JWTNVVGKSA-N 2 2 396.532 0.861 20 0 GCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)CC1 ZINC000815208919 1205699392 /nfs/dbraw/zinc/69/93/92/1205699392.db2.gz GFSQVTVRHWYICP-JWTNVVGKSA-N 2 2 396.532 0.861 20 0 GCADLP CCOC(=O)N1CCN(C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000815208919 1205699393 /nfs/dbraw/zinc/69/93/93/1205699393.db2.gz GFSQVTVRHWYICP-JWTNVVGKSA-N 2 2 396.532 0.861 20 0 GCADLP CCOC(=O)N1CCN(C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000815208919 1205699394 /nfs/dbraw/zinc/69/93/94/1205699394.db2.gz GFSQVTVRHWYICP-JWTNVVGKSA-N 2 2 396.532 0.861 20 0 GCADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172139023 1205713009 /nfs/dbraw/zinc/71/30/09/1205713009.db2.gz IMMFIMHBUBHKRM-QBUWPKIASA-N 2 2 388.560 0.869 20 0 GCADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172139023 1205713010 /nfs/dbraw/zinc/71/30/10/1205713010.db2.gz IMMFIMHBUBHKRM-QBUWPKIASA-N 2 2 388.560 0.869 20 0 GCADLP O=C1CC[C@H]2C[C@@H]([N@@H+]3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)CCN12 ZINC001172175693 1205713789 /nfs/dbraw/zinc/71/37/89/1205713789.db2.gz VJEKVSSESYCZLN-IRXDYDNUSA-N 2 2 382.468 0.847 20 0 GCADLP O=C1CC[C@H]2C[C@@H]([N@H+]3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)CCN12 ZINC001172175693 1205713790 /nfs/dbraw/zinc/71/37/90/1205713790.db2.gz VJEKVSSESYCZLN-IRXDYDNUSA-N 2 2 382.468 0.847 20 0 GCADLP C[NH+]1CCN(C[C@H]2Cn3ccnc3C[N@@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)C2)CC1 ZINC001172179854 1205714470 /nfs/dbraw/zinc/71/44/70/1205714470.db2.gz VOAIOXBHZVPGKB-IPMKNSEASA-N 2 2 386.544 0.716 20 0 GCADLP C[NH+]1CCN(C[C@H]2Cn3ccnc3C[N@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)C2)CC1 ZINC001172179854 1205714471 /nfs/dbraw/zinc/71/44/71/1205714471.db2.gz VOAIOXBHZVPGKB-IPMKNSEASA-N 2 2 386.544 0.716 20 0 GCADLP COC(=O)N1CCC([N@H+]2Cc3nccn3C[C@@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC001172738873 1205716960 /nfs/dbraw/zinc/71/69/60/1205716960.db2.gz TXFVHZFXTOVNJY-QGZVFWFLSA-N 2 2 390.532 0.793 20 0 GCADLP COC(=O)N1CCC([N@@H+]2Cc3nccn3C[C@@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC001172738873 1205716962 /nfs/dbraw/zinc/71/69/62/1205716962.db2.gz TXFVHZFXTOVNJY-QGZVFWFLSA-N 2 2 390.532 0.793 20 0 GCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@@H]1CCc2ncsc2C1 ZINC001173134912 1205718634 /nfs/dbraw/zinc/71/86/34/1205718634.db2.gz KMMSJWQDZRWPFM-ZLDLUXBVSA-N 2 2 388.497 0.416 20 0 GCADLP CC[N@@H+]1CC[C@@H](N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001173363673 1205719836 /nfs/dbraw/zinc/71/98/36/1205719836.db2.gz XQFJQELYNSMSKW-ZWKOTPCHSA-N 2 2 377.533 0.762 20 0 GCADLP CC[N@H+]1CC[C@@H](N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001173363673 1205719839 /nfs/dbraw/zinc/71/98/39/1205719839.db2.gz XQFJQELYNSMSKW-ZWKOTPCHSA-N 2 2 377.533 0.762 20 0 GCADLP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cc3n(n1)CCC[NH+](C)C3)CC2 ZINC001175065368 1205734273 /nfs/dbraw/zinc/73/42/73/1205734273.db2.gz QARQILOUMPISQG-UHFFFAOYSA-N 2 2 388.516 0.535 20 0 GCADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1cc3n(n1)CCC[NH+](C)C3)CC2 ZINC001175065368 1205734274 /nfs/dbraw/zinc/73/42/74/1205734274.db2.gz QARQILOUMPISQG-UHFFFAOYSA-N 2 2 388.516 0.535 20 0 GCADLP CNC(=O)C[NH+]1CCCC12CCN(C(=O)c1cc3n(n1)CCC[N@H+](C)C3)CC2 ZINC001175065368 1205734275 /nfs/dbraw/zinc/73/42/75/1205734275.db2.gz QARQILOUMPISQG-UHFFFAOYSA-N 2 2 388.516 0.535 20 0 GCADLP CNC(=O)C[NH+]1CCCC12CCN(C(=O)c1cc3n(n1)CCC[N@@H+](C)C3)CC2 ZINC001175065368 1205734276 /nfs/dbraw/zinc/73/42/76/1205734276.db2.gz QARQILOUMPISQG-UHFFFAOYSA-N 2 2 388.516 0.535 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001176385403 1205746538 /nfs/dbraw/zinc/74/65/38/1205746538.db2.gz QSIYPFSWSNEOQE-QGZVFWFLSA-N 2 2 399.455 0.220 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001176385403 1205746539 /nfs/dbraw/zinc/74/65/39/1205746539.db2.gz QSIYPFSWSNEOQE-QGZVFWFLSA-N 2 2 399.455 0.220 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001176358269 1205747173 /nfs/dbraw/zinc/74/71/73/1205747173.db2.gz ZLSHFROPVRXYDS-IAGOWNOFSA-N 2 2 391.516 0.995 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001176358269 1205747175 /nfs/dbraw/zinc/74/71/75/1205747175.db2.gz ZLSHFROPVRXYDS-IAGOWNOFSA-N 2 2 391.516 0.995 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001176358241 1205747219 /nfs/dbraw/zinc/74/72/19/1205747219.db2.gz ZDAUOILDTJQJPQ-MRXNPFEDSA-N 2 2 396.451 0.313 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001176358241 1205747220 /nfs/dbraw/zinc/74/72/20/1205747220.db2.gz ZDAUOILDTJQJPQ-MRXNPFEDSA-N 2 2 396.451 0.313 20 0 GCADLP Cn1nnc2c1CCN(C(=O)CCn1cc[nH+]c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001176874558 1205757502 /nfs/dbraw/zinc/75/75/02/1205757502.db2.gz XHYBWNUTYBIENV-QGZVFWFLSA-N 2 2 387.488 0.640 20 0 GCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177214576 1205763395 /nfs/dbraw/zinc/76/33/95/1205763395.db2.gz NFBOFQFMMVZBKY-GOSISDBHSA-N 2 2 385.468 0.928 20 0 GCADLP Cc1ccc(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cn1 ZINC001177248226 1205764730 /nfs/dbraw/zinc/76/47/30/1205764730.db2.gz OEIAGWIFBMHMQO-UHFFFAOYSA-N 2 2 387.528 0.629 20 0 GCADLP Cc1ccc(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cn1 ZINC001177248226 1205764732 /nfs/dbraw/zinc/76/47/32/1205764732.db2.gz OEIAGWIFBMHMQO-UHFFFAOYSA-N 2 2 387.528 0.629 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3(c4ccncc4)CC3)CC2)C1=O ZINC001177606443 1205772905 /nfs/dbraw/zinc/77/29/05/1205772905.db2.gz CMWQTBNJZWBTSI-UHFFFAOYSA-N 2 2 399.539 0.810 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3(c4ccncc4)CC3)CC2)C1=O ZINC001177606443 1205772906 /nfs/dbraw/zinc/77/29/06/1205772906.db2.gz CMWQTBNJZWBTSI-UHFFFAOYSA-N 2 2 399.539 0.810 20 0 GCADLP C[NH+]1CC(N2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)s3)CC2)C1 ZINC001177633171 1205773078 /nfs/dbraw/zinc/77/30/78/1205773078.db2.gz BSORWXBIXROZAG-UHFFFAOYSA-N 2 2 377.558 0.567 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3=Cc4cccn4C3=O)CC2)C1=O ZINC001177820895 1205776444 /nfs/dbraw/zinc/77/64/44/1205776444.db2.gz JYHJDHSXBYHXSH-UHFFFAOYSA-N 2 2 399.495 0.222 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3=Cc4cccn4C3=O)CC2)C1=O ZINC001177820895 1205776448 /nfs/dbraw/zinc/77/64/48/1205776448.db2.gz JYHJDHSXBYHXSH-UHFFFAOYSA-N 2 2 399.495 0.222 20 0 GCADLP C[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)c1cccnc1 ZINC001177785873 1205776864 /nfs/dbraw/zinc/77/68/64/1205776864.db2.gz CVJYPRNZQLKKNC-KRWDZBQOSA-N 2 2 387.528 0.882 20 0 GCADLP C[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)c1cccnc1 ZINC001177785873 1205776865 /nfs/dbraw/zinc/77/68/65/1205776865.db2.gz CVJYPRNZQLKKNC-KRWDZBQOSA-N 2 2 387.528 0.882 20 0 GCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC001178104205 1205781998 /nfs/dbraw/zinc/78/19/98/1205781998.db2.gz ZHABMHSWGAVWSV-ZDUSSCGKSA-N 2 2 386.456 0.310 20 0 GCADLP Cc1ccnc(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c1 ZINC001178266223 1205785156 /nfs/dbraw/zinc/78/51/56/1205785156.db2.gz QCOFYCQKNCSIHV-UHFFFAOYSA-N 2 2 387.528 0.629 20 0 GCADLP Cc1ccnc(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c1 ZINC001178266223 1205785157 /nfs/dbraw/zinc/78/51/57/1205785157.db2.gz QCOFYCQKNCSIHV-UHFFFAOYSA-N 2 2 387.528 0.629 20 0 GCADLP CCn1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1 ZINC001178571198 1205789889 /nfs/dbraw/zinc/78/98/89/1205789889.db2.gz KEWRGYNDMLOAJF-INIZCTEOSA-N 2 2 385.516 0.839 20 0 GCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001179025731 1205798371 /nfs/dbraw/zinc/79/83/71/1205798371.db2.gz VGZSTAQZAVHEMG-GOSISDBHSA-N 2 2 385.468 0.822 20 0 GCADLP COCCn1c[nH+]cc1CNC(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179014136 1205799598 /nfs/dbraw/zinc/79/95/98/1205799598.db2.gz CVXZJRUVKAKJAK-UHFFFAOYSA-N 2 2 391.516 0.869 20 0 GCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C[NH+](C)C3CCCC3)C2)C1 ZINC001180626463 1205827747 /nfs/dbraw/zinc/82/77/47/1205827747.db2.gz NVQBELUNXSETNF-FQEVSTJZSA-N 2 2 380.533 0.548 20 0 GCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C[NH+](C)C3CCCC3)C2)C1 ZINC001180626463 1205827749 /nfs/dbraw/zinc/82/77/49/1205827749.db2.gz NVQBELUNXSETNF-FQEVSTJZSA-N 2 2 380.533 0.548 20 0 GCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)C[N@H+](C)C3CCCC3)C2)C1 ZINC001180626463 1205827752 /nfs/dbraw/zinc/82/77/52/1205827752.db2.gz NVQBELUNXSETNF-FQEVSTJZSA-N 2 2 380.533 0.548 20 0 GCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)C[N@@H+](C)C3CCCC3)C2)C1 ZINC001180626463 1205827754 /nfs/dbraw/zinc/82/77/54/1205827754.db2.gz NVQBELUNXSETNF-FQEVSTJZSA-N 2 2 380.533 0.548 20 0 GCADLP Cn1nnc2c1CCN(C(=O)Cc1cc[nH+]c(N)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001181247846 1205840634 /nfs/dbraw/zinc/84/06/34/1205840634.db2.gz BOPMOFXJTXESLA-KRWDZBQOSA-N 2 2 399.499 0.573 20 0 GCADLP O=C(N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)C12CC[NH+](CC1)CC2 ZINC001181549782 1205846342 /nfs/dbraw/zinc/84/63/42/1205846342.db2.gz WQDGJQWLLOXIQM-UHFFFAOYSA-N 2 2 382.468 0.706 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1=O ZINC001182011028 1205854515 /nfs/dbraw/zinc/85/45/15/1205854515.db2.gz AHBWBMPRCQIFFK-SFHVURJKSA-N 3 2 391.560 0.025 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1=O ZINC001182011028 1205854517 /nfs/dbraw/zinc/85/45/17/1205854517.db2.gz AHBWBMPRCQIFFK-SFHVURJKSA-N 3 2 391.560 0.025 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182013018 1205854565 /nfs/dbraw/zinc/85/45/65/1205854565.db2.gz XPHCKCWGTGIQLN-ZWOKBUDYSA-N 2 2 379.501 0.583 20 0 GCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001182015628 1205854854 /nfs/dbraw/zinc/85/48/54/1205854854.db2.gz YPVXFENNNSFNAE-QGZVFWFLSA-N 2 2 382.468 0.562 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001182269811 1205861809 /nfs/dbraw/zinc/86/18/09/1205861809.db2.gz OQBZHSSSFKWHMF-ZDUSSCGKSA-N 2 2 392.522 0.065 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001182269811 1205861810 /nfs/dbraw/zinc/86/18/10/1205861810.db2.gz OQBZHSSSFKWHMF-ZDUSSCGKSA-N 2 2 392.522 0.065 20 0 GCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C12CCC[NH+]1CCC2 ZINC001183557663 1205894917 /nfs/dbraw/zinc/89/49/17/1205894917.db2.gz SRICDAJOYCCSQS-VQIMIIECSA-N 2 2 379.501 0.870 20 0 GCADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+](C)CCO1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814160 1205900401 /nfs/dbraw/zinc/90/04/01/1205900401.db2.gz BCBDNEGZRXMBRY-HZPDHXFCSA-N 2 2 384.521 0.765 20 0 GCADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](C)CCO1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814160 1205900402 /nfs/dbraw/zinc/90/04/02/1205900402.db2.gz BCBDNEGZRXMBRY-HZPDHXFCSA-N 2 2 384.521 0.765 20 0 GCADLP C[NH+](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814160 1205900403 /nfs/dbraw/zinc/90/04/03/1205900403.db2.gz BCBDNEGZRXMBRY-HZPDHXFCSA-N 2 2 384.521 0.765 20 0 GCADLP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814160 1205900406 /nfs/dbraw/zinc/90/04/06/1205900406.db2.gz BCBDNEGZRXMBRY-HZPDHXFCSA-N 2 2 384.521 0.765 20 0 GCADLP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001185226297 1205918329 /nfs/dbraw/zinc/91/83/29/1205918329.db2.gz XACCCSXFLNFKRT-SFHVURJKSA-N 2 2 384.484 0.660 20 0 GCADLP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001185226297 1205918331 /nfs/dbraw/zinc/91/83/31/1205918331.db2.gz XACCCSXFLNFKRT-SFHVURJKSA-N 2 2 384.484 0.660 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001185242915 1205918668 /nfs/dbraw/zinc/91/86/68/1205918668.db2.gz ABXVQAQWIGDAAD-LJQANCHMSA-N 2 2 376.501 0.260 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001185242915 1205918669 /nfs/dbraw/zinc/91/86/69/1205918669.db2.gz ABXVQAQWIGDAAD-LJQANCHMSA-N 2 2 376.501 0.260 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC2(CC1)C[NH+](Cc1ccoc1)CCO2 ZINC001185252330 1205919640 /nfs/dbraw/zinc/91/96/40/1205919640.db2.gz RZPAVOGSBSDHMF-SFHVURJKSA-N 2 2 376.501 0.719 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(CC1)C[NH+](Cc1ccoc1)CCO2 ZINC001185252330 1205919642 /nfs/dbraw/zinc/91/96/42/1205919642.db2.gz RZPAVOGSBSDHMF-SFHVURJKSA-N 2 2 376.501 0.719 20 0 GCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001185252330 1205919643 /nfs/dbraw/zinc/91/96/43/1205919643.db2.gz RZPAVOGSBSDHMF-SFHVURJKSA-N 2 2 376.501 0.719 20 0 GCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001185252330 1205919645 /nfs/dbraw/zinc/91/96/45/1205919645.db2.gz RZPAVOGSBSDHMF-SFHVURJKSA-N 2 2 376.501 0.719 20 0 GCADLP Cc1ccc(N(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001186039301 1205933617 /nfs/dbraw/zinc/93/36/17/1205933617.db2.gz WWBFFDYGXAEFTH-JTDSTZFVSA-N 2 2 375.473 0.096 20 0 GCADLP Cc1ccc(N(C(=O)C[N@H+]2CC[C@H](O)C2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001186039301 1205933618 /nfs/dbraw/zinc/93/36/18/1205933618.db2.gz WWBFFDYGXAEFTH-JTDSTZFVSA-N 2 2 375.473 0.096 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)NCCC(F)(F)F)CC2)C1=O ZINC001186993741 1205954196 /nfs/dbraw/zinc/95/41/96/1205954196.db2.gz VEFKDPIVUGHWAF-UHFFFAOYSA-N 2 2 393.454 0.819 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)NCCC(F)(F)F)CC2)C1=O ZINC001186993741 1205954197 /nfs/dbraw/zinc/95/41/97/1205954197.db2.gz VEFKDPIVUGHWAF-UHFFFAOYSA-N 2 2 393.454 0.819 20 0 GCADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164851431 720837387 /nfs/dbraw/zinc/83/73/87/720837387.db2.gz HBVDSUXVFRLUDT-SJORKVTESA-N 2 2 377.489 0.487 20 0 GCADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164851431 720837389 /nfs/dbraw/zinc/83/73/89/720837389.db2.gz HBVDSUXVFRLUDT-SJORKVTESA-N 2 2 377.489 0.487 20 0 GCADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cc5c(nn4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164916627 721789245 /nfs/dbraw/zinc/78/92/45/721789245.db2.gz RETJAYHVTMYGDK-OAQYLSRUSA-N 2 2 396.495 0.625 20 0 GCADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cc5c(nn4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164916627 721789251 /nfs/dbraw/zinc/78/92/51/721789251.db2.gz RETJAYHVTMYGDK-OAQYLSRUSA-N 2 2 396.495 0.625 20 0 GCADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001164917860 721816234 /nfs/dbraw/zinc/81/62/34/721816234.db2.gz PKFPVAPSOQEIIV-UHFFFAOYSA-N 2 2 382.516 0.832 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)n3C)CC2)CC1 ZINC001571271567 945645033 /nfs/dbraw/zinc/64/50/33/945645033.db2.gz DNMDKLUHOFLVTP-UHFFFAOYSA-N 2 2 386.504 0.837 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)n3C)CC2)CC1 ZINC001571271567 945645040 /nfs/dbraw/zinc/64/50/40/945645040.db2.gz DNMDKLUHOFLVTP-UHFFFAOYSA-N 2 2 386.504 0.837 20 0 GCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271721 945647871 /nfs/dbraw/zinc/64/78/71/945647871.db2.gz IADWPUCPKCVYMG-GFCCVEGCSA-N 2 2 386.485 0.985 20 0 GCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271722 945648230 /nfs/dbraw/zinc/64/82/30/945648230.db2.gz IADWPUCPKCVYMG-LBPRGKRZSA-N 2 2 386.485 0.985 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001571272254 945658352 /nfs/dbraw/zinc/65/83/52/945658352.db2.gz BWFCBEDRXUJPJY-CJNGLKHVSA-N 2 2 386.460 0.067 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001571272254 945658360 /nfs/dbraw/zinc/65/83/60/945658360.db2.gz BWFCBEDRXUJPJY-CJNGLKHVSA-N 2 2 386.460 0.067 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571293287 946101216 /nfs/dbraw/zinc/10/12/16/946101216.db2.gz DHRJUDSECIINTN-CJNGLKHVSA-N 2 2 389.435 0.027 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571293287 946101224 /nfs/dbraw/zinc/10/12/24/946101224.db2.gz DHRJUDSECIINTN-CJNGLKHVSA-N 2 2 389.435 0.027 20 0 GCADLP Cc1onc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1-c1nn[nH]n1 ZINC000826346837 948046681 /nfs/dbraw/zinc/04/66/81/948046681.db2.gz WVPQMKPMLBPWOZ-UHFFFAOYSA-N 2 2 388.476 0.380 20 0 GCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920619 948905674 /nfs/dbraw/zinc/90/56/74/948905674.db2.gz NBQBRTSXHUOBER-LBPRGKRZSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920863 948910145 /nfs/dbraw/zinc/91/01/45/948910145.db2.gz PRISGDZSRDGRIK-LBPRGKRZSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711449 949537917 /nfs/dbraw/zinc/53/79/17/949537917.db2.gz HJNKIFLGEVRDPV-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711449 949537935 /nfs/dbraw/zinc/53/79/35/949537935.db2.gz HJNKIFLGEVRDPV-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574484638 949891727 /nfs/dbraw/zinc/89/17/27/949891727.db2.gz LCMFPINNLRZGDK-KGLIPLIRSA-N 2 2 381.444 0.934 20 0 GCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574728787 950010628 /nfs/dbraw/zinc/01/06/28/950010628.db2.gz JSDCOMPOLZBBBI-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574734234 950134077 /nfs/dbraw/zinc/13/40/77/950134077.db2.gz LASXJVFYRUKXFI-YNEHKIRRSA-N 2 2 381.444 0.480 20 0 GCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576192713 950263321 /nfs/dbraw/zinc/26/33/21/950263321.db2.gz QFQCNHJOZKEJFD-KGLIPLIRSA-N 2 2 381.444 0.477 20 0 GCADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575908589 950368121 /nfs/dbraw/zinc/36/81/21/950368121.db2.gz VOTAGXNWVMMFEG-LRDDRELGSA-N 2 2 384.419 0.982 20 0 GCADLP CC1CC[NH+](CC(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576203700 950449585 /nfs/dbraw/zinc/44/95/85/950449585.db2.gz IOLGNHWEEQSDGC-UHFFFAOYSA-N 2 2 384.488 0.722 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001576204111 950459748 /nfs/dbraw/zinc/45/97/48/950459748.db2.gz LYFGGGQQDQGZOT-BBRMVZONSA-N 2 2 386.504 0.968 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001576204111 950459767 /nfs/dbraw/zinc/45/97/67/950459767.db2.gz LYFGGGQQDQGZOT-BBRMVZONSA-N 2 2 386.504 0.968 20 0 GCADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575001137 950623818 /nfs/dbraw/zinc/62/38/18/950623818.db2.gz UCXHYERAWKPLJL-LLVKDONJSA-N 2 2 385.432 0.566 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077587 951672865 /nfs/dbraw/zinc/67/28/65/951672865.db2.gz GUEVRSKCDNMIDX-LBPRGKRZSA-N 2 2 386.435 0.824 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079955 951700698 /nfs/dbraw/zinc/70/06/98/951700698.db2.gz UFDQGDUOUWJRQD-LBPRGKRZSA-N 2 2 386.435 0.824 20 0 GCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571169527 952774520 /nfs/dbraw/zinc/77/45/20/952774520.db2.gz FYELUFVHZGKPOR-RHSMWYFYSA-N 2 2 380.456 0.948 20 0 GCADLP Cc1cc(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187872 952910124 /nfs/dbraw/zinc/91/01/24/952910124.db2.gz CKFOQAMCLIHBGY-DGCLKSJQSA-N 2 2 381.444 0.464 20 0 GCADLP Cc1cc(N[C@H](C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188129 952912351 /nfs/dbraw/zinc/91/23/51/952912351.db2.gz GEVDIWWRNTUJRN-CHWSQXEVSA-N 2 2 381.444 0.607 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571188982 952922878 /nfs/dbraw/zinc/92/28/78/952922878.db2.gz LECBHLQERHGVON-DOMZBBRYSA-N 2 2 381.444 0.357 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001571198984 952995247 /nfs/dbraw/zinc/99/52/47/952995247.db2.gz JNAFKGPEYKDBKN-OAHLLOKOSA-N 2 2 382.428 0.463 20 0 GCADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571207359 953062935 /nfs/dbraw/zinc/06/29/35/953062935.db2.gz YMPJUIJYEQUFSK-HNNXBMFYSA-N 2 2 382.428 0.150 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571212489 953088961 /nfs/dbraw/zinc/08/89/61/953088961.db2.gz MJUWNSVAZKVIIN-VQIMIIECSA-N 2 2 382.472 0.785 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571212489 953088964 /nfs/dbraw/zinc/08/89/64/953088964.db2.gz MJUWNSVAZKVIIN-VQIMIIECSA-N 2 2 382.472 0.785 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571213593 953096691 /nfs/dbraw/zinc/09/66/91/953096691.db2.gz SBGLEYZNFDZZJW-VAWZVNNESA-N 2 2 382.472 0.617 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571213593 953096694 /nfs/dbraw/zinc/09/66/94/953096694.db2.gz SBGLEYZNFDZZJW-VAWZVNNESA-N 2 2 382.472 0.617 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571241987 953252385 /nfs/dbraw/zinc/25/23/85/953252385.db2.gz RWVLHSRZGBMJHZ-AWEZNQCLSA-N 2 2 384.419 0.673 20 0 GCADLP Cn1nc(Br)c2c1nc[nH+]c2NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264654777 530163900 /nfs/dbraw/zinc/16/39/00/530163900.db2.gz XNTITSJCTKBAQI-VIFPVBQESA-N 2 2 382.266 0.878 20 0 GCADLP Cn1nc(Br)c2c1nc[nH+]c2NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000264654777 530163902 /nfs/dbraw/zinc/16/39/02/530163902.db2.gz XNTITSJCTKBAQI-VIFPVBQESA-N 2 2 382.266 0.878 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000653161673 530236316 /nfs/dbraw/zinc/23/63/16/530236316.db2.gz WVYDTCWQSZYUCZ-LBPRGKRZSA-N 2 2 380.873 0.153 20 0 GCADLP C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177157029 530361740 /nfs/dbraw/zinc/36/17/40/530361740.db2.gz AJXOBPFFOGSPDD-ZDUSSCGKSA-N 2 2 388.559 0.557 20 0 GCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C[NH3+])C1 ZINC000580190122 530337871 /nfs/dbraw/zinc/33/78/71/530337871.db2.gz UCSZAFFMSZEMSS-OLZOCXBDSA-N 2 2 395.301 0.903 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C[NH3+])C1 ZINC000580190122 530337873 /nfs/dbraw/zinc/33/78/73/530337873.db2.gz UCSZAFFMSZEMSS-OLZOCXBDSA-N 2 2 395.301 0.903 20 0 GCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000562996537 530346978 /nfs/dbraw/zinc/34/69/78/530346978.db2.gz LLSDWCOUIPPCRJ-YDHLFZDLSA-N 2 2 391.559 0.395 20 0 GCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000497293597 530380486 /nfs/dbraw/zinc/38/04/86/530380486.db2.gz MNHGVBKZPSKKFZ-HNNXBMFYSA-N 2 2 375.535 0.147 20 0 GCADLP CN(C(=O)c1ccc(S(N)(=O)=O)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472725 530393235 /nfs/dbraw/zinc/39/32/35/530393235.db2.gz PZYLWHMJQVHMJM-CYBMUJFWSA-N 2 2 386.543 0.636 20 0 GCADLP CN(C(=O)c1ccc(S(N)(=O)=O)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472725 530393237 /nfs/dbraw/zinc/39/32/37/530393237.db2.gz PZYLWHMJQVHMJM-CYBMUJFWSA-N 2 2 386.543 0.636 20 0 GCADLP C[C@@H]1C[NH+](CCCCNS(=O)(=O)CCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000498883673 530394475 /nfs/dbraw/zinc/39/44/75/530394475.db2.gz KYSIRHQSWMEQJJ-IAGOWNOFSA-N 2 2 377.551 0.518 20 0 GCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(Br)cc1 ZINC000594874637 530443188 /nfs/dbraw/zinc/44/31/88/530443188.db2.gz LIWJEHQZBSTTIH-CQDKDKBSSA-N 2 2 395.301 0.870 20 0 GCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(Br)cc1 ZINC000594874637 530443190 /nfs/dbraw/zinc/44/31/90/530443190.db2.gz LIWJEHQZBSTTIH-CQDKDKBSSA-N 2 2 395.301 0.870 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000054316850 530553063 /nfs/dbraw/zinc/55/30/63/530553063.db2.gz NAPRSNLAFZREMY-UHFFFAOYSA-N 2 2 388.456 0.065 20 0 GCADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000568993458 530565702 /nfs/dbraw/zinc/56/57/02/530565702.db2.gz MRLLTXSGMMXZIJ-HNNXBMFYSA-N 2 2 375.922 0.971 20 0 GCADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000568993458 530565705 /nfs/dbraw/zinc/56/57/05/530565705.db2.gz MRLLTXSGMMXZIJ-HNNXBMFYSA-N 2 2 375.922 0.971 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000629607613 530594040 /nfs/dbraw/zinc/59/40/40/530594040.db2.gz XAQAAMUAOQEQHG-DOMZBBRYSA-N 2 2 386.290 0.600 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000574071935 530587303 /nfs/dbraw/zinc/58/73/03/530587303.db2.gz OHRMDRFJNIVVPA-MJBXVCDLSA-N 2 2 377.532 0.086 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000574071935 530587305 /nfs/dbraw/zinc/58/73/05/530587305.db2.gz OHRMDRFJNIVVPA-MJBXVCDLSA-N 2 2 377.532 0.086 20 0 GCADLP CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000577171732 530617406 /nfs/dbraw/zinc/61/74/06/530617406.db2.gz BARVPEWHELWZLE-ZOBUZTSGSA-N 2 2 377.551 0.250 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C[C@@H](COC)OC)CC2)CC1 ZINC000641547784 530755442 /nfs/dbraw/zinc/75/54/42/530755442.db2.gz UYLYENQAYCJSSL-QGZVFWFLSA-N 2 2 377.551 0.470 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C[C@@H](COC)OC)CC2)CC1 ZINC000641547784 530755444 /nfs/dbraw/zinc/75/54/44/530755444.db2.gz UYLYENQAYCJSSL-QGZVFWFLSA-N 2 2 377.551 0.470 20 0 GCADLP C[NH+](C)CCCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501497405 530869428 /nfs/dbraw/zinc/86/94/28/530869428.db2.gz UVEAROCNVGYHAX-HUUCEWRRSA-N 2 2 377.576 0.391 20 0 GCADLP C[NH+](C)CCCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501497405 530869429 /nfs/dbraw/zinc/86/94/29/530869429.db2.gz UVEAROCNVGYHAX-HUUCEWRRSA-N 2 2 377.576 0.391 20 0 GCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631068768 530919250 /nfs/dbraw/zinc/91/92/50/530919250.db2.gz VKIXNWPSKKSCDT-UHFFFAOYSA-N 2 2 388.921 0.630 20 0 GCADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419982020 530964676 /nfs/dbraw/zinc/96/46/76/530964676.db2.gz AVTBKHYWKOJDGK-MFKMUULPSA-N 2 2 394.273 0.957 20 0 GCADLP C[NH+](C)Cc1cnc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)s1 ZINC000512068841 530941281 /nfs/dbraw/zinc/94/12/81/530941281.db2.gz SZXJHPZYDFUGQR-CYBMUJFWSA-N 2 2 376.548 0.783 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCC1 ZINC000420087835 530965130 /nfs/dbraw/zinc/96/51/30/530965130.db2.gz GRPRZRXHGCKWSO-UHFFFAOYSA-N 2 2 380.246 0.711 20 0 GCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000631794723 530948480 /nfs/dbraw/zinc/94/84/80/530948480.db2.gz VBUKKYMYQASKQQ-UHFFFAOYSA-N 2 2 387.468 0.997 20 0 GCADLP CCC(CC)[C@@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000631911548 530950391 /nfs/dbraw/zinc/95/03/91/530950391.db2.gz JCIUKYTXJCRTRI-QGZVFWFLSA-N 2 2 376.567 0.642 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000419041526 530953320 /nfs/dbraw/zinc/95/33/20/530953320.db2.gz KIZIKMIDKLCHLV-GFCCVEGCSA-N 2 2 394.273 0.842 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)[nH+]c12 ZINC000419037933 530953526 /nfs/dbraw/zinc/95/35/26/530953526.db2.gz DUXDHPCFAIHQII-LLVKDONJSA-N 2 2 380.246 0.581 20 0 GCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420129739 530966291 /nfs/dbraw/zinc/96/62/91/530966291.db2.gz XGNHHRBWUKUPPG-ZWNOBZJWSA-N 2 2 394.273 0.827 20 0 GCADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420357708 530967367 /nfs/dbraw/zinc/96/73/67/530967367.db2.gz SPKBQZIKFWDJNU-JOYOIKCWSA-N 2 2 377.226 0.870 20 0 GCADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420357708 530967370 /nfs/dbraw/zinc/96/73/70/530967370.db2.gz SPKBQZIKFWDJNU-JOYOIKCWSA-N 2 2 377.226 0.870 20 0 GCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000660753483 531009879 /nfs/dbraw/zinc/00/98/79/531009879.db2.gz HXOQNMWZYQOQQP-CYBMUJFWSA-N 2 2 377.482 0.485 20 0 GCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000660753483 531009883 /nfs/dbraw/zinc/00/98/83/531009883.db2.gz HXOQNMWZYQOQQP-CYBMUJFWSA-N 2 2 377.482 0.485 20 0 GCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000660753483 531009884 /nfs/dbraw/zinc/00/98/84/531009884.db2.gz HXOQNMWZYQOQQP-CYBMUJFWSA-N 2 2 377.482 0.485 20 0 GCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000660753483 531009888 /nfs/dbraw/zinc/00/98/88/531009888.db2.gz HXOQNMWZYQOQQP-CYBMUJFWSA-N 2 2 377.482 0.485 20 0 GCADLP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000422545980 531014085 /nfs/dbraw/zinc/01/40/85/531014085.db2.gz SVSWUORRQQMXRZ-LBPRGKRZSA-N 2 2 394.273 0.923 20 0 GCADLP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000422545980 531014089 /nfs/dbraw/zinc/01/40/89/531014089.db2.gz SVSWUORRQQMXRZ-LBPRGKRZSA-N 2 2 394.273 0.923 20 0 GCADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cn1 ZINC000665236530 531051611 /nfs/dbraw/zinc/05/16/11/531051611.db2.gz ORKDSJBYQSWDBB-GJZGRUSLSA-N 2 2 383.290 0.931 20 0 GCADLP O=C(NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cn1 ZINC000665236532 531051834 /nfs/dbraw/zinc/05/18/34/531051834.db2.gz ORKDSJBYQSWDBB-LSDHHAIUSA-N 2 2 383.290 0.931 20 0 GCADLP CC(C)OCC[NH+]1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000545207436 531084499 /nfs/dbraw/zinc/08/44/99/531084499.db2.gz XOUVUDUNJQBREA-UHFFFAOYSA-N 2 2 377.551 0.518 20 0 GCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000077249490 531098739 /nfs/dbraw/zinc/09/87/39/531098739.db2.gz RJZZQJMWXFXBNE-UHFFFAOYSA-N 2 2 376.567 0.579 20 0 GCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000077249490 531098746 /nfs/dbraw/zinc/09/87/46/531098746.db2.gz RJZZQJMWXFXBNE-UHFFFAOYSA-N 2 2 376.567 0.579 20 0 GCADLP CSCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000263287752 531121674 /nfs/dbraw/zinc/12/16/74/531121674.db2.gz VIBFQRQKUXVWAC-HNNXBMFYSA-N 2 2 386.543 0.642 20 0 GCADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000550887187 531134298 /nfs/dbraw/zinc/13/42/98/531134298.db2.gz VCBNKYWNHMIUDP-TZMCWYRMSA-N 2 2 385.306 0.929 20 0 GCADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000550887187 531134302 /nfs/dbraw/zinc/13/43/02/531134302.db2.gz VCBNKYWNHMIUDP-TZMCWYRMSA-N 2 2 385.306 0.929 20 0 GCADLP C[C@H](C(=O)NCCN(C)C(=O)[C@H](C)[NH+]1CCSCC1)[NH+]1CCSCC1 ZINC000438360882 531153626 /nfs/dbraw/zinc/15/36/26/531153626.db2.gz DKFQFKLMVYTCBG-CABCVRRESA-N 2 2 388.603 0.436 20 0 GCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C1CC1 ZINC000554932667 531166246 /nfs/dbraw/zinc/16/62/46/531166246.db2.gz MBDMTEZWUDUOMA-AWEZNQCLSA-N 2 2 387.468 0.730 20 0 GCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C1CC1 ZINC000554932667 531166250 /nfs/dbraw/zinc/16/62/50/531166250.db2.gz MBDMTEZWUDUOMA-AWEZNQCLSA-N 2 2 387.468 0.730 20 0 GCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565433025 531185487 /nfs/dbraw/zinc/18/54/87/531185487.db2.gz PVKZWJUBCVBGBB-CHWSQXEVSA-N 2 2 391.519 0.040 20 0 GCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565433025 531185488 /nfs/dbraw/zinc/18/54/88/531185488.db2.gz PVKZWJUBCVBGBB-CHWSQXEVSA-N 2 2 391.519 0.040 20 0 GCADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565433030 531185501 /nfs/dbraw/zinc/18/55/01/531185501.db2.gz PVKZWJUBCVBGBB-QWHCGFSZSA-N 2 2 391.519 0.040 20 0 GCADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565433030 531185505 /nfs/dbraw/zinc/18/55/05/531185505.db2.gz PVKZWJUBCVBGBB-QWHCGFSZSA-N 2 2 391.519 0.040 20 0 GCADLP C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1[NH+](C)C ZINC000566485866 531198664 /nfs/dbraw/zinc/19/86/64/531198664.db2.gz CGLDMVLQISIDLU-CHWSQXEVSA-N 2 2 393.535 0.143 20 0 GCADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000359928573 212124572 /nfs/dbraw/zinc/12/45/72/212124572.db2.gz VKFYRKZXABXSJN-KRWDZBQOSA-N 2 2 380.533 0.498 20 0 GCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)c3ccnc(OCC[NH+](C)C)c3)CCO2)CC1 ZINC000359900915 212122947 /nfs/dbraw/zinc/12/29/47/212122947.db2.gz QPKDIOYAJAPKKK-GOSISDBHSA-N 2 2 391.516 0.110 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736851901 598973242 /nfs/dbraw/zinc/97/32/42/598973242.db2.gz MIYSFYNTUYAOLG-INIZCTEOSA-N 2 2 384.488 0.834 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736851901 598973245 /nfs/dbraw/zinc/97/32/45/598973245.db2.gz MIYSFYNTUYAOLG-INIZCTEOSA-N 2 2 384.488 0.834 20 0 GCADLP C[NH+]1CCN(c2ccc([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)CC1 ZINC000821628987 607310682 /nfs/dbraw/zinc/31/06/82/607310682.db2.gz VZRJRSHBIDVANO-AWEZNQCLSA-N 2 2 394.487 0.969 20 0 GCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736144609 598349257 /nfs/dbraw/zinc/34/92/57/598349257.db2.gz PLBJYSAAJQSYEA-WMLDXEAASA-N 2 2 390.488 0.383 20 0 GCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736144609 598349259 /nfs/dbraw/zinc/34/92/59/598349259.db2.gz PLBJYSAAJQSYEA-WMLDXEAASA-N 2 2 390.488 0.383 20 0 GCADLP c1ncn(CC[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)n1 ZINC000738438373 598422219 /nfs/dbraw/zinc/42/22/19/598422219.db2.gz ZPAJPIOEQSYKOO-UHFFFAOYSA-N 2 2 376.428 0.829 20 0 GCADLP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000738436513 598523854 /nfs/dbraw/zinc/52/38/54/598523854.db2.gz SDNUCRGJUYVKME-ZDUSSCGKSA-N 2 2 380.460 0.759 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000737875652 598685585 /nfs/dbraw/zinc/68/55/85/598685585.db2.gz FLJPYPUJEPWKDJ-UHFFFAOYSA-N 2 2 385.472 0.486 20 0 GCADLP CN(C(=O)COc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736851178 598742888 /nfs/dbraw/zinc/74/28/88/598742888.db2.gz GDBFYMRSXLMJBC-QGZVFWFLSA-N 2 2 399.499 0.872 20 0 GCADLP CN(C(=O)COc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736851178 598742889 /nfs/dbraw/zinc/74/28/89/598742889.db2.gz GDBFYMRSXLMJBC-QGZVFWFLSA-N 2 2 399.499 0.872 20 0 GCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000736535651 598766230 /nfs/dbraw/zinc/76/62/30/598766230.db2.gz ZHFBRNFZZQYVIH-UHFFFAOYSA-N 2 2 387.488 0.732 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736868978 599318580 /nfs/dbraw/zinc/31/85/80/599318580.db2.gz XUKTXUGQYAEMCA-KRWDZBQOSA-N 2 2 385.472 0.232 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736868978 599318583 /nfs/dbraw/zinc/31/85/83/599318583.db2.gz XUKTXUGQYAEMCA-KRWDZBQOSA-N 2 2 385.472 0.232 20 0 GCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736868978 599318586 /nfs/dbraw/zinc/31/85/86/599318586.db2.gz XUKTXUGQYAEMCA-KRWDZBQOSA-N 2 2 385.472 0.232 20 0 GCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736868978 599318588 /nfs/dbraw/zinc/31/85/88/599318588.db2.gz XUKTXUGQYAEMCA-KRWDZBQOSA-N 2 2 385.472 0.232 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000825865638 607606810 /nfs/dbraw/zinc/60/68/10/607606810.db2.gz JDMYDTBSMPNOCT-UHFFFAOYSA-N 2 2 385.469 0.120 20 0 GCADLP OCC1(C[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)COC1 ZINC000823715240 606767569 /nfs/dbraw/zinc/76/75/69/606767569.db2.gz SEJFYQYUPARILF-UHFFFAOYSA-N 2 2 381.440 0.546 20 0 GCADLP C[NH+]1CCN(C(=O)CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826038695 607958405 /nfs/dbraw/zinc/95/84/05/607958405.db2.gz VEEYTDLZOLVCGG-UHFFFAOYSA-N 2 2 398.515 0.148 20 0 GCADLP C[NH+]1CCN(C(=O)CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826038695 607958406 /nfs/dbraw/zinc/95/84/06/607958406.db2.gz VEEYTDLZOLVCGG-UHFFFAOYSA-N 2 2 398.515 0.148 20 0 GCADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000891412219 638495500 /nfs/dbraw/zinc/49/55/00/638495500.db2.gz VVNCWWUACJXBTK-HIFRSBDPSA-N 2 2 378.489 0.738 20 0 GCADLP O=S1CCC([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000892595198 638588176 /nfs/dbraw/zinc/58/81/76/638588176.db2.gz SDWHBVRMCCUGDL-UHFFFAOYSA-N 2 2 386.543 0.034 20 0 GCADLP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000905335375 639298881 /nfs/dbraw/zinc/29/88/81/639298881.db2.gz NEGLUCMAAUDHKN-UHFFFAOYSA-N 2 2 387.468 0.902 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@@H](CCO)C1)CC[N@H+]1CCC[C@@H](CCO)C1 ZINC000735871714 640031003 /nfs/dbraw/zinc/03/10/03/640031003.db2.gz UGJIQIQJAHHXKX-ROUUACIJSA-N 2 2 376.563 0.590 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@@H](CCO)C1)CC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000735871714 640031013 /nfs/dbraw/zinc/03/10/13/640031013.db2.gz UGJIQIQJAHHXKX-ROUUACIJSA-N 2 2 376.563 0.590 20 0 GCADLP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000923490524 640139156 /nfs/dbraw/zinc/13/91/56/640139156.db2.gz VBYLBOISKUQVOV-GJZGRUSLSA-N 2 2 385.555 0.935 20 0 GCADLP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000923490524 640139161 /nfs/dbraw/zinc/13/91/61/640139161.db2.gz VBYLBOISKUQVOV-GJZGRUSLSA-N 2 2 385.555 0.935 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000750734322 640366726 /nfs/dbraw/zinc/36/67/26/640366726.db2.gz CUDGEQXEPUZCEH-CVEARBPZSA-N 2 2 391.603 0.781 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000750734322 640366733 /nfs/dbraw/zinc/36/67/33/640366733.db2.gz CUDGEQXEPUZCEH-CVEARBPZSA-N 2 2 391.603 0.781 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3ccc(Br)cc3=O)C2)CC1 ZINC000865749267 641286507 /nfs/dbraw/zinc/28/65/07/641286507.db2.gz BMTXJZOXCGZKCX-CQSZACIVSA-N 2 2 397.317 0.896 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3ccc(Br)cc3=O)C2)CC1 ZINC000865749267 641286512 /nfs/dbraw/zinc/28/65/12/641286512.db2.gz BMTXJZOXCGZKCX-CQSZACIVSA-N 2 2 397.317 0.896 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870909156 641447073 /nfs/dbraw/zinc/44/70/73/641447073.db2.gz BAVAOFXVPIOGHQ-CABCVRRESA-N 2 2 386.290 0.600 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000806474998 641648410 /nfs/dbraw/zinc/64/84/10/641648410.db2.gz KHSMJTSRTIWSAO-OAHLLOKOSA-N 2 2 388.603 0.436 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000806474998 641648413 /nfs/dbraw/zinc/64/84/13/641648413.db2.gz KHSMJTSRTIWSAO-OAHLLOKOSA-N 2 2 388.603 0.436 20 0 GCADLP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811877782 641763064 /nfs/dbraw/zinc/76/30/64/641763064.db2.gz DZAMOECUIWGWFW-HNNXBMFYSA-N 2 2 376.567 0.915 20 0 GCADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811877782 641763066 /nfs/dbraw/zinc/76/30/66/641763066.db2.gz DZAMOECUIWGWFW-HNNXBMFYSA-N 2 2 376.567 0.915 20 0 GCADLP [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccc(Br)cc1 ZINC000884252824 641780216 /nfs/dbraw/zinc/78/02/16/641780216.db2.gz TZUVLZLYCAFGAL-GDBMZVCRSA-N 2 2 395.301 0.872 20 0 GCADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884308488 641781110 /nfs/dbraw/zinc/78/11/10/641781110.db2.gz RZJAGELMCUVCJU-HNNXBMFYSA-N 2 2 377.457 0.617 20 0 GCADLP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000841231351 642292553 /nfs/dbraw/zinc/29/25/53/642292553.db2.gz ZULOEJKIQICGNW-NSHDSACASA-N 2 2 398.305 0.603 20 0 GCADLP CN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000841276390 642293329 /nfs/dbraw/zinc/29/33/29/642293329.db2.gz PVZSROLQDWFKDV-UHFFFAOYSA-N 2 2 398.305 0.557 20 0 GCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(=O)N(C)CC3)CC2)cc1 ZINC000661806535 1192184219 /nfs/dbraw/zinc/18/42/19/1192184219.db2.gz KKBWAZUBXIXTPK-UHFFFAOYSA-N 2 2 388.512 0.894 20 0 GCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(=O)N(C)CC3)CC2)cc1 ZINC000661806535 1192184222 /nfs/dbraw/zinc/18/42/22/1192184222.db2.gz KKBWAZUBXIXTPK-UHFFFAOYSA-N 2 2 388.512 0.894 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC(=O)N(C)CC3)CC2)cc1 ZINC000661806535 1192184234 /nfs/dbraw/zinc/18/42/34/1192184234.db2.gz KKBWAZUBXIXTPK-UHFFFAOYSA-N 2 2 388.512 0.894 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC(=O)N(C)CC3)CC2)cc1 ZINC000661806535 1192184237 /nfs/dbraw/zinc/18/42/37/1192184237.db2.gz KKBWAZUBXIXTPK-UHFFFAOYSA-N 2 2 388.512 0.894 20 0 GCADLP CC(C)O[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000652409347 1192216420 /nfs/dbraw/zinc/21/64/20/1192216420.db2.gz OTBDDPMWDVPBQB-SFHVURJKSA-N 2 2 382.549 0.887 20 0 GCADLP CC(C)O[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000652409347 1192216424 /nfs/dbraw/zinc/21/64/24/1192216424.db2.gz OTBDDPMWDVPBQB-SFHVURJKSA-N 2 2 382.549 0.887 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCCOc1ccc(C(F)(F)F)cc1 ZINC000662286981 1192277069 /nfs/dbraw/zinc/27/70/69/1192277069.db2.gz OLIYSUYRMCFTJZ-UHFFFAOYSA-N 2 2 375.391 0.905 20 0 GCADLP Cn1ncc2c1nc(C[N@@H+]1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)[nH]c2=O ZINC000662337014 1192284561 /nfs/dbraw/zinc/28/45/61/1192284561.db2.gz IBDDQMOVYPWGRN-CYBMUJFWSA-N 2 2 397.487 0.581 20 0 GCADLP Cn1ncc2c1nc(C[N@H+]1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)[nH]c2=O ZINC000662337014 1192284563 /nfs/dbraw/zinc/28/45/63/1192284563.db2.gz IBDDQMOVYPWGRN-CYBMUJFWSA-N 2 2 397.487 0.581 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cnnn1C1CC[NH2+]CC1 ZINC000662347630 1192285302 /nfs/dbraw/zinc/28/53/02/1192285302.db2.gz IJTBYVVACPGQSL-GOSISDBHSA-N 2 2 384.484 0.833 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cnnn1C1CC[NH2+]CC1 ZINC000662347630 1192285305 /nfs/dbraw/zinc/28/53/05/1192285305.db2.gz IJTBYVVACPGQSL-GOSISDBHSA-N 2 2 384.484 0.833 20 0 GCADLP CC(=O)N1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000602517020 1192290625 /nfs/dbraw/zinc/29/06/25/1192290625.db2.gz QPMRMUQYAKPVFC-GOSISDBHSA-N 2 2 388.516 0.883 20 0 GCADLP O=C(C[N@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1)N1CCCC1 ZINC000662673795 1192326587 /nfs/dbraw/zinc/32/65/87/1192326587.db2.gz RGNGUTSRFRMQOD-INIZCTEOSA-N 2 2 376.423 0.685 20 0 GCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1)N1CCCC1 ZINC000662673795 1192326592 /nfs/dbraw/zinc/32/65/92/1192326592.db2.gz RGNGUTSRFRMQOD-INIZCTEOSA-N 2 2 376.423 0.685 20 0 GCADLP O=C(C[N@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1)N1CCCC1 ZINC000662673796 1192326692 /nfs/dbraw/zinc/32/66/92/1192326692.db2.gz RGNGUTSRFRMQOD-MRXNPFEDSA-N 2 2 376.423 0.685 20 0 GCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1)N1CCCC1 ZINC000662673796 1192326697 /nfs/dbraw/zinc/32/66/97/1192326697.db2.gz RGNGUTSRFRMQOD-MRXNPFEDSA-N 2 2 376.423 0.685 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)CO1 ZINC000663546524 1192383105 /nfs/dbraw/zinc/38/31/05/1192383105.db2.gz NVXWHKIQPMYCBP-DLBZAZTESA-N 2 2 390.532 0.742 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)CO1 ZINC000663546524 1192383110 /nfs/dbraw/zinc/38/31/10/1192383110.db2.gz NVXWHKIQPMYCBP-DLBZAZTESA-N 2 2 390.532 0.742 20 0 GCADLP CN(C)c1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000473208182 1192391076 /nfs/dbraw/zinc/39/10/76/1192391076.db2.gz MUKLGKYFHBQZIQ-UHFFFAOYSA-N 2 2 376.505 0.928 20 0 GCADLP C[C@@H](CN1CC[NH+](C)CC1)Nc1cnc(N[C@@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000663571643 1192395542 /nfs/dbraw/zinc/39/55/42/1192395542.db2.gz IOTNBEIIRJIRBD-ROUUACIJSA-N 2 2 390.580 0.572 20 0 GCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663579809 1192401542 /nfs/dbraw/zinc/40/15/42/1192401542.db2.gz JJNBQGGYXMMBIE-LJQANCHMSA-N 2 2 381.565 0.909 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000410566127 1192416205 /nfs/dbraw/zinc/41/62/05/1192416205.db2.gz XNMZYJPJRXVCMR-GOSISDBHSA-N 2 2 380.533 0.356 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC000410566127 1192416208 /nfs/dbraw/zinc/41/62/08/1192416208.db2.gz XNMZYJPJRXVCMR-GOSISDBHSA-N 2 2 380.533 0.356 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000279293717 1192501287 /nfs/dbraw/zinc/50/12/87/1192501287.db2.gz LTHAGILZYRTKCG-GOSISDBHSA-N 2 2 375.517 0.773 20 0 GCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000418615016 1192617590 /nfs/dbraw/zinc/61/75/90/1192617590.db2.gz LHPQNOGOTBLUFT-KBPBESRZSA-N 2 2 381.443 0.233 20 0 GCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000418615016 1192617595 /nfs/dbraw/zinc/61/75/95/1192617595.db2.gz LHPQNOGOTBLUFT-KBPBESRZSA-N 2 2 381.443 0.233 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418774336 1192642250 /nfs/dbraw/zinc/64/22/50/1192642250.db2.gz VDZDSBJNHTZGJT-PKOBYXMFSA-N 2 2 376.501 0.907 20 0 GCADLP Cc1cc(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)nc(C(C)C)[nH+]1 ZINC000418775489 1192642944 /nfs/dbraw/zinc/64/29/44/1192642944.db2.gz ZWAVOJULENFTGP-INIZCTEOSA-N 2 2 375.521 0.644 20 0 GCADLP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827845 1192657749 /nfs/dbraw/zinc/65/77/49/1192657749.db2.gz HIMPOOJYKUDHNQ-VQTJNVASSA-N 2 2 396.491 0.820 20 0 GCADLP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827845 1192657757 /nfs/dbraw/zinc/65/77/57/1192657757.db2.gz HIMPOOJYKUDHNQ-VQTJNVASSA-N 2 2 396.491 0.820 20 0 GCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418826524 1192657803 /nfs/dbraw/zinc/65/78/03/1192657803.db2.gz GAXBGZPUEITCNS-PKOBYXMFSA-N 2 2 388.512 0.510 20 0 GCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418826524 1192657805 /nfs/dbraw/zinc/65/78/05/1192657805.db2.gz GAXBGZPUEITCNS-PKOBYXMFSA-N 2 2 388.512 0.510 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833014 1192660180 /nfs/dbraw/zinc/66/01/80/1192660180.db2.gz MUFKCDXTTMPNQJ-ROUUACIJSA-N 2 2 376.501 0.637 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833014 1192660182 /nfs/dbraw/zinc/66/01/82/1192660182.db2.gz MUFKCDXTTMPNQJ-ROUUACIJSA-N 2 2 376.501 0.637 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418837704 1192662212 /nfs/dbraw/zinc/66/22/12/1192662212.db2.gz UDIFPPGTGFRNTH-IPMKNSEASA-N 2 2 386.496 0.072 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418837704 1192662215 /nfs/dbraw/zinc/66/22/15/1192662215.db2.gz UDIFPPGTGFRNTH-IPMKNSEASA-N 2 2 386.496 0.072 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418841902 1192663124 /nfs/dbraw/zinc/66/31/24/1192663124.db2.gz ZGKDIJCHEOSSJZ-CVEARBPZSA-N 2 2 396.532 0.367 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418842307 1192663468 /nfs/dbraw/zinc/66/34/68/1192663468.db2.gz ZSUHNFLDFNIRLV-YTQUADARSA-N 2 2 388.512 0.732 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418842307 1192663472 /nfs/dbraw/zinc/66/34/72/1192663472.db2.gz ZSUHNFLDFNIRLV-YTQUADARSA-N 2 2 388.512 0.732 20 0 GCADLP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)cs1 ZINC000418850549 1192665564 /nfs/dbraw/zinc/66/55/64/1192665564.db2.gz CSCJQNIWMGSTHI-AWEZNQCLSA-N 2 2 393.557 0.854 20 0 GCADLP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)cs1 ZINC000418850550 1192665601 /nfs/dbraw/zinc/66/56/01/1192665601.db2.gz CSCJQNIWMGSTHI-CQSZACIVSA-N 2 2 393.557 0.854 20 0 GCADLP CC1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000418837408 1192662899 /nfs/dbraw/zinc/66/28/99/1192662899.db2.gz SUEPEBGZZPEKFC-SFHVURJKSA-N 2 2 388.512 0.510 20 0 GCADLP CC1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000418837408 1192662903 /nfs/dbraw/zinc/66/29/03/1192662903.db2.gz SUEPEBGZZPEKFC-SFHVURJKSA-N 2 2 388.512 0.510 20 0 GCADLP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)oc1C ZINC000418859589 1192670772 /nfs/dbraw/zinc/67/07/72/1192670772.db2.gz YENDOZSWWMYIBE-OKILXGFUSA-N 2 2 391.516 0.828 20 0 GCADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418894810 1192679687 /nfs/dbraw/zinc/67/96/87/1192679687.db2.gz ZQVUERGLNQBVRB-XJKSGUPXSA-N 2 2 377.395 0.539 20 0 GCADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418894807 1192679871 /nfs/dbraw/zinc/67/98/71/1192679871.db2.gz ZQVUERGLNQBVRB-BBRMVZONSA-N 2 2 377.395 0.539 20 0 GCADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418894808 1192679987 /nfs/dbraw/zinc/67/99/87/1192679987.db2.gz ZQVUERGLNQBVRB-CJNGLKHVSA-N 2 2 377.395 0.539 20 0 GCADLP Cc1cc(C)c(CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c[nH+]1 ZINC000418891426 1192681639 /nfs/dbraw/zinc/68/16/39/1192681639.db2.gz UCOWQNODTLHVHU-AWEZNQCLSA-N 2 2 387.406 0.267 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000663831437 1192695295 /nfs/dbraw/zinc/69/52/95/1192695295.db2.gz SDIKJOVFWPBWPO-IAGOWNOFSA-N 2 2 390.532 0.742 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000663831437 1192695297 /nfs/dbraw/zinc/69/52/97/1192695297.db2.gz SDIKJOVFWPBWPO-IAGOWNOFSA-N 2 2 390.532 0.742 20 0 GCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@H]21 ZINC000418945518 1192698484 /nfs/dbraw/zinc/69/84/84/1192698484.db2.gz PRQQZCKNTDEKRW-NUEKZKHPSA-N 2 2 376.526 0.808 20 0 GCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@H]21 ZINC000418945518 1192698486 /nfs/dbraw/zinc/69/84/86/1192698486.db2.gz PRQQZCKNTDEKRW-NUEKZKHPSA-N 2 2 376.526 0.808 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000418948409 1192699142 /nfs/dbraw/zinc/69/91/42/1192699142.db2.gz UCMHLNCHOAVFCI-LSDHHAIUSA-N 2 2 380.514 0.187 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000418948409 1192699145 /nfs/dbraw/zinc/69/91/45/1192699145.db2.gz UCMHLNCHOAVFCI-LSDHHAIUSA-N 2 2 380.514 0.187 20 0 GCADLP [NH3+]CCCOC1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000418951187 1192699732 /nfs/dbraw/zinc/69/97/32/1192699732.db2.gz WQPWBAALTBSRSY-UHFFFAOYSA-N 2 2 394.541 0.579 20 0 GCADLP [NH3+]CCCOC1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000418951187 1192699735 /nfs/dbraw/zinc/69/97/35/1192699735.db2.gz WQPWBAALTBSRSY-UHFFFAOYSA-N 2 2 394.541 0.579 20 0 GCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)cc(OC)c1 ZINC000418961910 1192703079 /nfs/dbraw/zinc/70/30/79/1192703079.db2.gz KFGQVYQQUADFOU-GDBMZVCRSA-N 2 2 390.484 0.215 20 0 GCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)cc(OC)c1 ZINC000418961910 1192703083 /nfs/dbraw/zinc/70/30/83/1192703083.db2.gz KFGQVYQQUADFOU-GDBMZVCRSA-N 2 2 390.484 0.215 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419019826 1192722764 /nfs/dbraw/zinc/72/27/64/1192722764.db2.gz DYHOOQLSTVXKIR-SWLSCSKDSA-N 2 2 389.431 0.857 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3c4ccccc4c(=O)[nH]c3=O)CC2)CC1 ZINC000051463964 1192728010 /nfs/dbraw/zinc/72/80/10/1192728010.db2.gz UWTVLQHQMCQNKI-UHFFFAOYSA-N 2 2 399.495 0.365 20 0 GCADLP CO[C@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H](C[NH3+])C1 ZINC000419029764 1192729980 /nfs/dbraw/zinc/72/99/80/1192729980.db2.gz SBQOHYXUOUUHEX-GJZGRUSLSA-N 2 2 389.431 0.592 20 0 GCADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419103298 1192791710 /nfs/dbraw/zinc/79/17/10/1192791710.db2.gz JYGLAHADXJEZLQ-QGZVFWFLSA-N 2 2 393.919 0.528 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419107161 1192788851 /nfs/dbraw/zinc/78/88/51/1192788851.db2.gz OPJGDLUWLZFQRJ-UHFFFAOYSA-N 2 2 395.935 0.646 20 0 GCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419105953 1192788994 /nfs/dbraw/zinc/78/89/94/1192788994.db2.gz MYFDPAQGXIGDGP-CQSZACIVSA-N 2 2 381.908 0.384 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000419120597 1192793666 /nfs/dbraw/zinc/79/36/66/1192793666.db2.gz CNFBBDBXKIXZAM-QZTJIDSGSA-N 2 2 375.517 0.191 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000419120560 1192793717 /nfs/dbraw/zinc/79/37/17/1192793717.db2.gz QQBFYTGEMJLLEV-SFHVURJKSA-N 2 2 376.501 0.447 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000419123399 1192795278 /nfs/dbraw/zinc/79/52/78/1192795278.db2.gz VVCUPXGMMBBNKJ-ROUUACIJSA-N 2 2 382.549 0.840 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000419123413 1192795606 /nfs/dbraw/zinc/79/56/06/1192795606.db2.gz VVPCRNZYCWUGET-LJQANCHMSA-N 2 2 390.528 0.837 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419123385 1192795654 /nfs/dbraw/zinc/79/56/54/1192795654.db2.gz VTNCQQBXVJRFSK-FHWLQOOXSA-N 2 2 394.560 0.840 20 0 GCADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000419116044 1192801213 /nfs/dbraw/zinc/80/12/13/1192801213.db2.gz ZEEDNFXHCFDELT-INIZCTEOSA-N 2 2 393.919 0.528 20 0 GCADLP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000419117642 1192802698 /nfs/dbraw/zinc/80/26/98/1192802698.db2.gz MOTWWNHNEJHJJP-SFHVURJKSA-N 2 2 382.549 0.698 20 0 GCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419131819 1192806057 /nfs/dbraw/zinc/80/60/57/1192806057.db2.gz GXQMGORYEFOVEW-INIZCTEOSA-N 2 2 390.532 0.342 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419139043 1192811979 /nfs/dbraw/zinc/81/19/79/1192811979.db2.gz UCRBLOTVYGTTBO-DLBZAZTESA-N 2 2 390.532 0.198 20 0 GCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000410774817 1192900456 /nfs/dbraw/zinc/90/04/56/1192900456.db2.gz JASMIPANEFVIIM-QZTJIDSGSA-N 2 2 382.549 0.743 20 0 GCADLP CNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000274501410 1184078303 /nfs/dbraw/zinc/07/83/03/1184078303.db2.gz IIJMNKWMSFRWSH-UHFFFAOYSA-N 2 2 383.518 0.088 20 0 GCADLP CNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000274501410 1184078309 /nfs/dbraw/zinc/07/83/09/1184078309.db2.gz IIJMNKWMSFRWSH-UHFFFAOYSA-N 2 2 383.518 0.088 20 0 GCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000579692196 1184089818 /nfs/dbraw/zinc/08/98/18/1184089818.db2.gz NMHSAXPJVSYFGE-QZTJIDSGSA-N 2 2 392.544 0.738 20 0 GCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000579728081 1184115981 /nfs/dbraw/zinc/11/59/81/1184115981.db2.gz GFBFMUOYKASPFN-INIZCTEOSA-N 2 2 390.532 0.268 20 0 GCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000579728081 1184115989 /nfs/dbraw/zinc/11/59/89/1184115989.db2.gz GFBFMUOYKASPFN-INIZCTEOSA-N 2 2 390.532 0.268 20 0 GCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)N(CC(F)F)C(=O)Cn1cc[nH+]c1C ZINC000579730275 1184117191 /nfs/dbraw/zinc/11/71/91/1184117191.db2.gz MOJKLUYMZZXXBI-LBPRGKRZSA-N 2 2 382.415 0.995 20 0 GCADLP CN1CCN(c2cc(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)nc[nH+]2)CC1=O ZINC000274732012 1184231616 /nfs/dbraw/zinc/23/16/16/1184231616.db2.gz CFKDJXXXSOXZCH-GOSISDBHSA-N 2 2 396.495 0.934 20 0 GCADLP CN1CCN(c2cc(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)nc[nH+]2)CC1=O ZINC000274732012 1184231620 /nfs/dbraw/zinc/23/16/20/1184231620.db2.gz CFKDJXXXSOXZCH-GOSISDBHSA-N 2 2 396.495 0.934 20 0 GCADLP CN1CCN(c2cc(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)[nH+]cn2)CC1=O ZINC000274732012 1184231628 /nfs/dbraw/zinc/23/16/28/1184231628.db2.gz CFKDJXXXSOXZCH-GOSISDBHSA-N 2 2 396.495 0.934 20 0 GCADLP CN1CCN(c2cc(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)[nH+]cn2)CC1=O ZINC000274732012 1184231634 /nfs/dbraw/zinc/23/16/34/1184231634.db2.gz CFKDJXXXSOXZCH-GOSISDBHSA-N 2 2 396.495 0.934 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000655073801 1184276394 /nfs/dbraw/zinc/27/63/94/1184276394.db2.gz BIOTXSUQHCHOLQ-QFBILLFUSA-N 2 2 377.489 0.056 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000655073801 1184276400 /nfs/dbraw/zinc/27/64/00/1184276400.db2.gz BIOTXSUQHCHOLQ-QFBILLFUSA-N 2 2 377.489 0.056 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CCN(c4cccnn4)CC3)C2)CC1 ZINC000683209194 1184287126 /nfs/dbraw/zinc/28/71/26/1184287126.db2.gz BBHMPPZKNSBPEA-KRWDZBQOSA-N 2 2 387.532 0.913 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CCN(c4cccnn4)CC3)C2)CC1 ZINC000683209194 1184287131 /nfs/dbraw/zinc/28/71/31/1184287131.db2.gz BBHMPPZKNSBPEA-KRWDZBQOSA-N 2 2 387.532 0.913 20 0 GCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)c2)CC1 ZINC000275039617 1184470242 /nfs/dbraw/zinc/47/02/42/1184470242.db2.gz YCOCXBXDFQCJCH-FQEVSTJZSA-N 2 2 399.539 0.470 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419134708 1184528695 /nfs/dbraw/zinc/52/86/95/1184528695.db2.gz KURJYGGXXWMDQG-IXDOHACOSA-N 2 2 388.516 0.094 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000275450100 1184673374 /nfs/dbraw/zinc/67/33/74/1184673374.db2.gz SGCGLNMNUDVXHQ-UHFFFAOYSA-N 2 2 389.500 0.309 20 0 GCADLP Cc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001707870852 1184678009 /nfs/dbraw/zinc/67/80/09/1184678009.db2.gz ORBNKORNEXWMKQ-AEFFLSMTSA-N 2 2 392.548 0.854 20 0 GCADLP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655730045 1184789113 /nfs/dbraw/zinc/78/91/13/1184789113.db2.gz LQALBBYGKUIODF-SFHVURJKSA-N 2 2 397.541 0.642 20 0 GCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000238041661 1184791111 /nfs/dbraw/zinc/79/11/11/1184791111.db2.gz ONLQUXUGSYRJFB-IBGZPJMESA-N 2 2 380.496 0.992 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000275640184 1184849493 /nfs/dbraw/zinc/84/94/93/1184849493.db2.gz DOSYWXZCVVXZLU-UHFFFAOYSA-N 2 2 399.499 0.690 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000275640184 1184849503 /nfs/dbraw/zinc/84/95/03/1184849503.db2.gz DOSYWXZCVVXZLU-UHFFFAOYSA-N 2 2 399.499 0.690 20 0 GCADLP COC1([C@H](C)[NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC1 ZINC000412019788 1184879961 /nfs/dbraw/zinc/87/99/61/1184879961.db2.gz GFNCRCSOUQEQQS-AWEZNQCLSA-N 2 2 387.488 0.559 20 0 GCADLP COC1([C@@H](C)[NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC1 ZINC000412019792 1184880110 /nfs/dbraw/zinc/88/01/10/1184880110.db2.gz GFNCRCSOUQEQQS-CQSZACIVSA-N 2 2 387.488 0.559 20 0 GCADLP COC(=O)c1ccsc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000275664375 1184893902 /nfs/dbraw/zinc/89/39/02/1184893902.db2.gz ILQPBUGHIQPCLW-UHFFFAOYSA-N 2 2 396.513 0.958 20 0 GCADLP COC(=O)c1ccsc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275664375 1184893911 /nfs/dbraw/zinc/89/39/11/1184893911.db2.gz ILQPBUGHIQPCLW-UHFFFAOYSA-N 2 2 396.513 0.958 20 0 GCADLP C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000579990080 1184894172 /nfs/dbraw/zinc/89/41/72/1184894172.db2.gz LKTLLINABLEFBD-LPHOPBHVSA-N 2 2 394.560 0.813 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000047103889 1184908163 /nfs/dbraw/zinc/90/81/63/1184908163.db2.gz FBZWHKGDUSUUDK-HZPDHXFCSA-N 2 2 384.488 0.822 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000047103889 1184908164 /nfs/dbraw/zinc/90/81/64/1184908164.db2.gz FBZWHKGDUSUUDK-HZPDHXFCSA-N 2 2 384.488 0.822 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000275757000 1185027913 /nfs/dbraw/zinc/02/79/13/1185027913.db2.gz ZIVYBFOHQHVSIF-UHFFFAOYSA-N 2 2 390.484 0.881 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000275757000 1185027919 /nfs/dbraw/zinc/02/79/19/1185027919.db2.gz ZIVYBFOHQHVSIF-UHFFFAOYSA-N 2 2 390.484 0.881 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000275773182 1185045365 /nfs/dbraw/zinc/04/53/65/1185045365.db2.gz HJTZXIKUGNKQNB-QAPCUYQASA-N 2 2 389.500 0.667 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000275773182 1185045371 /nfs/dbraw/zinc/04/53/71/1185045371.db2.gz HJTZXIKUGNKQNB-QAPCUYQASA-N 2 2 389.500 0.667 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000580079658 1185052493 /nfs/dbraw/zinc/05/24/93/1185052493.db2.gz YPEMKYNWIGMAER-HKUYNNGSSA-N 2 2 388.512 0.604 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000580079660 1185054401 /nfs/dbraw/zinc/05/44/01/1185054401.db2.gz YPEMKYNWIGMAER-MJGOQNOKSA-N 2 2 388.512 0.604 20 0 GCADLP CO[C@@]1(C)C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000580122492 1185072710 /nfs/dbraw/zinc/07/27/10/1185072710.db2.gz BTSUHIDUXUOIEI-JXFKEZNVSA-N 2 2 382.549 0.791 20 0 GCADLP CO[C@@]1(C)C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000580122492 1185072715 /nfs/dbraw/zinc/07/27/15/1185072715.db2.gz BTSUHIDUXUOIEI-JXFKEZNVSA-N 2 2 382.549 0.791 20 0 GCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000683816068 1185073362 /nfs/dbraw/zinc/07/33/62/1185073362.db2.gz IYDKJZNZRXYZFC-QGZVFWFLSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000683816068 1185073366 /nfs/dbraw/zinc/07/33/66/1185073366.db2.gz IYDKJZNZRXYZFC-QGZVFWFLSA-N 2 2 381.565 0.907 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000580498889 1185253705 /nfs/dbraw/zinc/25/37/05/1185253705.db2.gz FWEJTTCTSDHEDW-IBGZPJMESA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000580498889 1185253713 /nfs/dbraw/zinc/25/37/13/1185253713.db2.gz FWEJTTCTSDHEDW-IBGZPJMESA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000580498889 1185253719 /nfs/dbraw/zinc/25/37/19/1185253719.db2.gz FWEJTTCTSDHEDW-IBGZPJMESA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000580498889 1185253724 /nfs/dbraw/zinc/25/37/24/1185253724.db2.gz FWEJTTCTSDHEDW-IBGZPJMESA-N 3 2 393.576 0.604 20 0 GCADLP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104314426 1185321850 /nfs/dbraw/zinc/32/18/50/1185321850.db2.gz VCAASMJYBODKHB-QBPKDAKJSA-N 2 2 391.516 0.740 20 0 GCADLP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104314426 1185321856 /nfs/dbraw/zinc/32/18/56/1185321856.db2.gz VCAASMJYBODKHB-QBPKDAKJSA-N 2 2 391.516 0.740 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCO[C@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000610461026 1185341706 /nfs/dbraw/zinc/34/17/06/1185341706.db2.gz URRKGTGDQGZPDW-WBVHZDCISA-N 2 2 396.532 0.907 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCO[C@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000610461026 1185341717 /nfs/dbraw/zinc/34/17/17/1185341717.db2.gz URRKGTGDQGZPDW-WBVHZDCISA-N 2 2 396.532 0.907 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000656290485 1185343920 /nfs/dbraw/zinc/34/39/20/1185343920.db2.gz ZQHZJXXHUBXMEL-KURKYZTESA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000656290485 1185343926 /nfs/dbraw/zinc/34/39/26/1185343926.db2.gz ZQHZJXXHUBXMEL-KURKYZTESA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000656290484 1185344217 /nfs/dbraw/zinc/34/42/17/1185344217.db2.gz ZQHZJXXHUBXMEL-KSZLIROESA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000656290484 1185344222 /nfs/dbraw/zinc/34/42/22/1185344222.db2.gz ZQHZJXXHUBXMEL-KSZLIROESA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000656290483 1185344254 /nfs/dbraw/zinc/34/42/54/1185344254.db2.gz ZQHZJXXHUBXMEL-BZSNNMDCSA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000656290483 1185344262 /nfs/dbraw/zinc/34/42/62/1185344262.db2.gz ZQHZJXXHUBXMEL-BZSNNMDCSA-N 2 2 380.533 0.593 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccc2c[nH+]cn2c1 ZINC000580759055 1185346539 /nfs/dbraw/zinc/34/65/39/1185346539.db2.gz KIPTUXOWAMLVID-UHFFFAOYSA-N 2 2 380.456 0.746 20 0 GCADLP CN(C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656305367 1185380459 /nfs/dbraw/zinc/38/04/59/1185380459.db2.gz SLAIRBQZMYCQHW-OKZBNKHCSA-N 2 2 377.533 0.950 20 0 GCADLP CN(C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656305367 1185380466 /nfs/dbraw/zinc/38/04/66/1185380466.db2.gz SLAIRBQZMYCQHW-OKZBNKHCSA-N 2 2 377.533 0.950 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356505 1185456642 /nfs/dbraw/zinc/45/66/42/1185456642.db2.gz FDOLOTPJNYJNLY-IRXDYDNUSA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356505 1185456647 /nfs/dbraw/zinc/45/66/47/1185456647.db2.gz FDOLOTPJNYJNLY-IRXDYDNUSA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356505 1185456651 /nfs/dbraw/zinc/45/66/51/1185456651.db2.gz FDOLOTPJNYJNLY-IRXDYDNUSA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356505 1185456657 /nfs/dbraw/zinc/45/66/57/1185456657.db2.gz FDOLOTPJNYJNLY-IRXDYDNUSA-N 2 2 380.533 0.689 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656356507 1185457888 /nfs/dbraw/zinc/45/78/88/1185457888.db2.gz FECLFVDSUDCEGI-MHORFTMASA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656356507 1185457893 /nfs/dbraw/zinc/45/78/93/1185457893.db2.gz FECLFVDSUDCEGI-MHORFTMASA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656356507 1185457895 /nfs/dbraw/zinc/45/78/95/1185457895.db2.gz FECLFVDSUDCEGI-MHORFTMASA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656356507 1185457898 /nfs/dbraw/zinc/45/78/98/1185457898.db2.gz FECLFVDSUDCEGI-MHORFTMASA-N 2 2 380.533 0.687 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000581313513 1185586340 /nfs/dbraw/zinc/58/63/40/1185586340.db2.gz IRMHWWRZWMJFCU-UAGQMJEPSA-N 3 2 398.515 0.071 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000581313513 1185586345 /nfs/dbraw/zinc/58/63/45/1185586345.db2.gz IRMHWWRZWMJFCU-UAGQMJEPSA-N 3 2 398.515 0.071 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000276202602 1185681355 /nfs/dbraw/zinc/68/13/55/1185681355.db2.gz ZEHOVZYEUZPLQC-YOEHRIQHSA-N 2 2 389.500 0.964 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000276202602 1185681358 /nfs/dbraw/zinc/68/13/58/1185681358.db2.gz ZEHOVZYEUZPLQC-YOEHRIQHSA-N 2 2 389.500 0.964 20 0 GCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581431424 1185689424 /nfs/dbraw/zinc/68/94/24/1185689424.db2.gz JBOCPTCOSNGFAC-MJGOQNOKSA-N 2 2 383.496 0.851 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@H]1C(F)(F)F ZINC000891412276 1185711917 /nfs/dbraw/zinc/71/19/17/1185711917.db2.gz WRXRZJOJAUAMHP-NFAWXSAZSA-N 2 2 396.479 0.973 20 0 GCADLP COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430610042 1185746763 /nfs/dbraw/zinc/74/67/63/1185746763.db2.gz JOSFKIJODPQUHW-INIZCTEOSA-N 2 2 395.525 0.613 20 0 GCADLP COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430610042 1185746766 /nfs/dbraw/zinc/74/67/66/1185746766.db2.gz JOSFKIJODPQUHW-INIZCTEOSA-N 2 2 395.525 0.613 20 0 GCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581542769 1185751866 /nfs/dbraw/zinc/75/18/66/1185751866.db2.gz PSLGRRKXHJVVLG-WBVHZDCISA-N 2 2 383.514 0.737 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430609744 1185751926 /nfs/dbraw/zinc/75/19/26/1185751926.db2.gz ISKMKPJUSMVJID-ZNMIVQPWSA-N 2 2 382.530 0.831 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430609744 1185751929 /nfs/dbraw/zinc/75/19/29/1185751929.db2.gz ISKMKPJUSMVJID-ZNMIVQPWSA-N 2 2 382.530 0.831 20 0 GCADLP O=C(CC1CC[NH2+]CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000581664943 1185825952 /nfs/dbraw/zinc/82/59/52/1185825952.db2.gz LKAVMNNINNUJLH-KRWDZBQOSA-N 2 2 388.516 0.788 20 0 GCADLP O=C(CC1CC[NH2+]CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000581664943 1185825960 /nfs/dbraw/zinc/82/59/60/1185825960.db2.gz LKAVMNNINNUJLH-KRWDZBQOSA-N 2 2 388.516 0.788 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000581682132 1185840822 /nfs/dbraw/zinc/84/08/22/1185840822.db2.gz ZAZUMIGRRHHCNG-UHFFFAOYSA-N 2 2 399.499 0.243 20 0 GCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CCO1 ZINC000510453663 1185858282 /nfs/dbraw/zinc/85/82/82/1185858282.db2.gz BAIBSMWBHOJTKC-FBVQUNGASA-N 2 2 395.548 0.480 20 0 GCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CCO1 ZINC000510453663 1185858291 /nfs/dbraw/zinc/85/82/91/1185858291.db2.gz BAIBSMWBHOJTKC-FBVQUNGASA-N 2 2 395.548 0.480 20 0 GCADLP CC[C@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCO1 ZINC000510453663 1185858300 /nfs/dbraw/zinc/85/83/00/1185858300.db2.gz BAIBSMWBHOJTKC-FBVQUNGASA-N 2 2 395.548 0.480 20 0 GCADLP CC[C@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCO1 ZINC000510453663 1185858310 /nfs/dbraw/zinc/85/83/10/1185858310.db2.gz BAIBSMWBHOJTKC-FBVQUNGASA-N 2 2 395.548 0.480 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430645753 1185859921 /nfs/dbraw/zinc/85/99/21/1185859921.db2.gz OGCZXUBEOFUBNO-KRWDZBQOSA-N 2 2 394.541 0.451 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430645753 1185859925 /nfs/dbraw/zinc/85/99/25/1185859925.db2.gz OGCZXUBEOFUBNO-KRWDZBQOSA-N 2 2 394.541 0.451 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1C ZINC000891461974 1185881510 /nfs/dbraw/zinc/88/15/10/1185881510.db2.gz OMHQZZNHGKMWMF-IMJJTQAJSA-N 2 2 389.456 0.784 20 0 GCADLP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000891538335 1185909568 /nfs/dbraw/zinc/90/95/68/1185909568.db2.gz USMJOGNSRAJALI-GOSISDBHSA-N 2 2 388.578 0.902 20 0 GCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000891545273 1185913506 /nfs/dbraw/zinc/91/35/06/1185913506.db2.gz CHJPCLKQUNUJHK-OAGGEKHMSA-N 2 2 389.504 0.413 20 0 GCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000891545273 1185913512 /nfs/dbraw/zinc/91/35/12/1185913512.db2.gz CHJPCLKQUNUJHK-OAGGEKHMSA-N 2 2 389.504 0.413 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C2)CC1 ZINC000891558983 1185918634 /nfs/dbraw/zinc/91/86/34/1185918634.db2.gz CKJRYCSOHYJYTF-YDHLFZDLSA-N 3 2 377.455 0.934 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C2)CC1 ZINC000891558983 1185918637 /nfs/dbraw/zinc/91/86/37/1185918637.db2.gz CKJRYCSOHYJYTF-YDHLFZDLSA-N 3 2 377.455 0.934 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559236 1185919195 /nfs/dbraw/zinc/91/91/95/1185919195.db2.gz CXWBDIMSGDWGQV-AEFFLSMTSA-N 3 2 379.549 0.613 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559236 1185919199 /nfs/dbraw/zinc/91/91/99/1185919199.db2.gz CXWBDIMSGDWGQV-AEFFLSMTSA-N 3 2 379.549 0.613 20 0 GCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000430673863 1185944146 /nfs/dbraw/zinc/94/41/46/1185944146.db2.gz GUHGVKCQLYDGFB-PMACEKPBSA-N 2 2 383.496 0.734 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000581911574 1185971729 /nfs/dbraw/zinc/97/17/29/1185971729.db2.gz ASCNVXWMKYADNB-DOTOQJQBSA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000581911574 1185971733 /nfs/dbraw/zinc/97/17/33/1185971733.db2.gz ASCNVXWMKYADNB-DOTOQJQBSA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H](C)C1 ZINC000581911574 1185971735 /nfs/dbraw/zinc/97/17/35/1185971735.db2.gz ASCNVXWMKYADNB-DOTOQJQBSA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@@H](C)C1 ZINC000581911574 1185971737 /nfs/dbraw/zinc/97/17/37/1185971737.db2.gz ASCNVXWMKYADNB-DOTOQJQBSA-N 2 2 394.516 0.215 20 0 GCADLP CN(C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000430796039 1186031609 /nfs/dbraw/zinc/03/16/09/1186031609.db2.gz JCXDOJFIMMKLTK-KRWDZBQOSA-N 2 2 387.484 0.223 20 0 GCADLP CN(C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000430796039 1186031614 /nfs/dbraw/zinc/03/16/14/1186031614.db2.gz JCXDOJFIMMKLTK-KRWDZBQOSA-N 2 2 387.484 0.223 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000430894712 1186049195 /nfs/dbraw/zinc/04/91/95/1186049195.db2.gz OGJQBSHVAINAMS-LJQANCHMSA-N 2 2 388.512 0.498 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CC[NH2+][C@@H](C)C3)CC2)cc1OC ZINC000430934555 1186058297 /nfs/dbraw/zinc/05/82/97/1186058297.db2.gz PJZYUXPYUMDYLD-KRWDZBQOSA-N 2 2 390.528 0.950 20 0 GCADLP C[C@H](Cc1cccnc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000933748780 1186059185 /nfs/dbraw/zinc/05/91/85/1186059185.db2.gz UDKRDCIOBQPJLX-APWZRJJASA-N 2 2 387.528 0.756 20 0 GCADLP C[C@H](Cc1cccnc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000933748780 1186059190 /nfs/dbraw/zinc/05/91/90/1186059190.db2.gz UDKRDCIOBQPJLX-APWZRJJASA-N 2 2 387.528 0.756 20 0 GCADLP CN(C(=O)[C@]1(C)CCCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000562973229 1186086012 /nfs/dbraw/zinc/08/60/12/1186086012.db2.gz VWBVHIXFUWHJMW-FQEVSTJZSA-N 2 2 380.533 0.642 20 0 GCADLP CC[NH+](CC)CCOc1cc(NC(=O)CN2CC[NH2+]CC2=O)ccc1OC ZINC000431052231 1186114165 /nfs/dbraw/zinc/11/41/65/1186114165.db2.gz VFHDQIVBEIDNED-UHFFFAOYSA-N 2 2 378.473 0.786 20 0 GCADLP CC(C)([NH3+])c1noc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1 ZINC000431071165 1186119529 /nfs/dbraw/zinc/11/95/29/1186119529.db2.gz OCLCTMOSUFPSHJ-OAHLLOKOSA-N 2 2 375.473 0.821 20 0 GCADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@@H](C)O1 ZINC000563012125 1186132742 /nfs/dbraw/zinc/13/27/42/1186132742.db2.gz UNANFZGQFDOQQQ-JSUOXNSUSA-N 2 2 382.549 0.130 20 0 GCADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@@H](C)O1 ZINC000563012125 1186132746 /nfs/dbraw/zinc/13/27/46/1186132746.db2.gz UNANFZGQFDOQQQ-JSUOXNSUSA-N 2 2 382.549 0.130 20 0 GCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001691330506 1186174248 /nfs/dbraw/zinc/17/42/48/1186174248.db2.gz VBLYJHIVAUKHPC-YFHUEUNASA-N 2 2 387.488 0.268 20 0 GCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000684586207 1186200229 /nfs/dbraw/zinc/20/02/29/1186200229.db2.gz HGBLNRAHNUTKQF-DLBZAZTESA-N 2 2 399.561 0.281 20 0 GCADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)NCC(=O)N1CC[NH2+]CC1 ZINC000891969826 1186264987 /nfs/dbraw/zinc/26/49/87/1186264987.db2.gz ACCRBVRENQFFFK-UHFFFAOYSA-N 2 2 396.495 0.819 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000151342791 1186286365 /nfs/dbraw/zinc/28/63/65/1186286365.db2.gz NTNHOTRQMRDWMK-ZWKOTPCHSA-N 2 2 377.533 0.998 20 0 GCADLP CCC(CC)(C[NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000563159624 1186316389 /nfs/dbraw/zinc/31/63/89/1186316389.db2.gz FXZXLLATWDFIKP-UHFFFAOYSA-N 3 2 381.565 0.448 20 0 GCADLP C[C@H]1CSCCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000934303340 1186425301 /nfs/dbraw/zinc/42/53/01/1186425301.db2.gz SSJMXBKSMIAAMP-AWEZNQCLSA-N 2 2 389.529 0.839 20 0 GCADLP C[C@H]1CSCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000934303340 1186425304 /nfs/dbraw/zinc/42/53/04/1186425304.db2.gz SSJMXBKSMIAAMP-AWEZNQCLSA-N 2 2 389.529 0.839 20 0 GCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892258813 1186514582 /nfs/dbraw/zinc/51/45/82/1186514582.db2.gz KCPORYHHMJDMFD-YQVWRLOYSA-N 2 2 398.573 0.435 20 0 GCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892258813 1186514585 /nfs/dbraw/zinc/51/45/85/1186514585.db2.gz KCPORYHHMJDMFD-YQVWRLOYSA-N 2 2 398.573 0.435 20 0 GCADLP C[NH+]1CCC(CNc2cc(N3CCOCC3)[nH+]cn2)(N2CCOCC2)CC1 ZINC000413480333 1186518369 /nfs/dbraw/zinc/51/83/69/1186518369.db2.gz LKYLMIBEBHYARN-UHFFFAOYSA-N 2 2 376.505 0.522 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C[C@H](C)O1 ZINC000582479674 1186546954 /nfs/dbraw/zinc/54/69/54/1186546954.db2.gz RWBOGUTVODEPHS-SOLBZPMBSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C[C@H](C)O1 ZINC000582479674 1186546958 /nfs/dbraw/zinc/54/69/58/1186546958.db2.gz RWBOGUTVODEPHS-SOLBZPMBSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C[C@H](C)O1 ZINC000582479674 1186546961 /nfs/dbraw/zinc/54/69/61/1186546961.db2.gz RWBOGUTVODEPHS-SOLBZPMBSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[C@H](C)O1 ZINC000582479674 1186546965 /nfs/dbraw/zinc/54/69/65/1186546965.db2.gz RWBOGUTVODEPHS-SOLBZPMBSA-N 2 2 380.533 0.687 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000582563419 1186567985 /nfs/dbraw/zinc/56/79/85/1186567985.db2.gz XCRQJJUTSYIDAL-DLBZAZTESA-N 2 2 396.532 0.319 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000582563419 1186567989 /nfs/dbraw/zinc/56/79/89/1186567989.db2.gz XCRQJJUTSYIDAL-DLBZAZTESA-N 2 2 396.532 0.319 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000277780775 1186605552 /nfs/dbraw/zinc/60/55/52/1186605552.db2.gz LWNAREVCIAGKSJ-IRXDYDNUSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000277780775 1186605557 /nfs/dbraw/zinc/60/55/57/1186605557.db2.gz LWNAREVCIAGKSJ-IRXDYDNUSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000277780775 1186605558 /nfs/dbraw/zinc/60/55/58/1186605558.db2.gz LWNAREVCIAGKSJ-IRXDYDNUSA-N 2 2 388.516 0.571 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000277780775 1186605561 /nfs/dbraw/zinc/60/55/61/1186605561.db2.gz LWNAREVCIAGKSJ-IRXDYDNUSA-N 2 2 388.516 0.571 20 0 GCADLP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001279592259 1186639697 /nfs/dbraw/zinc/63/96/97/1186639697.db2.gz WTVCWQCOAZPGAE-QGZVFWFLSA-N 2 2 376.567 0.547 20 0 GCADLP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001279592259 1186639701 /nfs/dbraw/zinc/63/97/01/1186639701.db2.gz WTVCWQCOAZPGAE-QGZVFWFLSA-N 2 2 376.567 0.547 20 0 GCADLP CCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)c(=O)[nH]c1=O ZINC000472256805 1186663280 /nfs/dbraw/zinc/66/32/80/1186663280.db2.gz GWDGQXGWOHVUHG-ZDUSSCGKSA-N 2 2 381.477 0.166 20 0 GCADLP CCn1c(N)c(C(=O)C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)c(=O)[nH]c1=O ZINC000472256805 1186663285 /nfs/dbraw/zinc/66/32/85/1186663285.db2.gz GWDGQXGWOHVUHG-ZDUSSCGKSA-N 2 2 381.477 0.166 20 0 GCADLP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC2)c1 ZINC000119433699 1186668707 /nfs/dbraw/zinc/66/87/07/1186668707.db2.gz NDIDIYIDSUAVBO-GOSISDBHSA-N 2 2 396.557 0.385 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)ccn2)CC1 ZINC000582833240 1186705024 /nfs/dbraw/zinc/70/50/24/1186705024.db2.gz CURZASXPGJXKLP-DLBZAZTESA-N 2 2 386.500 0.979 20 0 GCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582835183 1186706434 /nfs/dbraw/zinc/70/64/34/1186706434.db2.gz WBVYEHRITWGDBR-UHFFFAOYSA-N 2 2 388.516 0.761 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000582991016 1186743243 /nfs/dbraw/zinc/74/32/43/1186743243.db2.gz TTZAGCJSOVWCFL-BMGDNIKJSA-N 2 2 392.544 0.828 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@H+]1C1CC1 ZINC000582991016 1186743245 /nfs/dbraw/zinc/74/32/45/1186743245.db2.gz TTZAGCJSOVWCFL-BMGDNIKJSA-N 2 2 392.544 0.828 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000472275708 1186751761 /nfs/dbraw/zinc/75/17/61/1186751761.db2.gz KUBHXEBZAGTQMY-CQSZACIVSA-N 2 2 393.488 0.481 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000472275708 1186751768 /nfs/dbraw/zinc/75/17/68/1186751768.db2.gz KUBHXEBZAGTQMY-CQSZACIVSA-N 2 2 393.488 0.481 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(C(=O)NC(C)C)n3C)CC2)CC1 ZINC000583137304 1186778970 /nfs/dbraw/zinc/77/89/70/1186778970.db2.gz QBTPHXHJSKVBNL-UHFFFAOYSA-N 2 2 377.537 0.950 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(C(=O)NC(C)C)n3C)CC2)CC1 ZINC000583137304 1186778971 /nfs/dbraw/zinc/77/89/71/1186778971.db2.gz QBTPHXHJSKVBNL-UHFFFAOYSA-N 2 2 377.537 0.950 20 0 GCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000583143141 1186779539 /nfs/dbraw/zinc/77/95/39/1186779539.db2.gz YRFDLROCLUUOCY-INIZCTEOSA-N 2 2 375.473 0.005 20 0 GCADLP CC[C@H]1CN(c2nnc(C)n2CCC[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001744976341 1186791355 /nfs/dbraw/zinc/79/13/55/1186791355.db2.gz JXMXNNUTYAMFPU-OALUTQOASA-N 2 2 392.548 0.856 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC[C@@H]21 ZINC000657741355 1186793866 /nfs/dbraw/zinc/79/38/66/1186793866.db2.gz JRNWDAVLYSYRDQ-KURKYZTESA-N 2 2 378.517 0.252 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC[C@@H]21 ZINC000657741355 1186793870 /nfs/dbraw/zinc/79/38/70/1186793870.db2.gz JRNWDAVLYSYRDQ-KURKYZTESA-N 2 2 378.517 0.252 20 0 GCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)CC1 ZINC000657741823 1186798884 /nfs/dbraw/zinc/79/88/84/1186798884.db2.gz ZTWTVSLNLGVXCI-MOPGFXCFSA-N 2 2 392.544 0.500 20 0 GCADLP O=C(C(=O)N1CC[NH+](C2CCCCC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657744341 1186803678 /nfs/dbraw/zinc/80/36/78/1186803678.db2.gz IMXXZCFQANGBAC-IBGZPJMESA-N 2 2 392.544 0.787 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000657745411 1186805929 /nfs/dbraw/zinc/80/59/29/1186805929.db2.gz PXBGZKOGPSZDEZ-ROUUACIJSA-N 2 2 378.517 0.396 20 0 GCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657745161 1186808212 /nfs/dbraw/zinc/80/82/12/1186808212.db2.gz OILKBCGOAQKROL-RTBURBONSA-N 2 2 392.544 0.500 20 0 GCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657745161 1186808215 /nfs/dbraw/zinc/80/82/15/1186808215.db2.gz OILKBCGOAQKROL-RTBURBONSA-N 2 2 392.544 0.500 20 0 GCADLP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000583430659 1186853081 /nfs/dbraw/zinc/85/30/81/1186853081.db2.gz WCIXCZDFCFZQLN-MJGOQNOKSA-N 2 2 382.468 0.843 20 0 GCADLP NC(=O)C[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000472288367 1186863209 /nfs/dbraw/zinc/86/32/09/1186863209.db2.gz SBAABNLJHPTOQU-QGZVFWFLSA-N 2 2 388.512 0.722 20 0 GCADLP NC(=O)C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000472288367 1186863212 /nfs/dbraw/zinc/86/32/12/1186863212.db2.gz SBAABNLJHPTOQU-QGZVFWFLSA-N 2 2 388.512 0.722 20 0 GCADLP CC(C)[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[NH+](C)C ZINC000128028360 1186880274 /nfs/dbraw/zinc/88/02/74/1186880274.db2.gz URLHSFWQFZYRTN-GOSISDBHSA-N 2 2 376.505 0.548 20 0 GCADLP CC(C)[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[NH+](C)C ZINC000128028360 1186880280 /nfs/dbraw/zinc/88/02/80/1186880280.db2.gz URLHSFWQFZYRTN-GOSISDBHSA-N 2 2 376.505 0.548 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000583691273 1186917841 /nfs/dbraw/zinc/91/78/41/1186917841.db2.gz ILLRSSFGQWNAFJ-NRFANRHFSA-N 2 2 380.496 0.646 20 0 GCADLP CO[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685183757 1186919631 /nfs/dbraw/zinc/91/96/31/1186919631.db2.gz FNTVCCLLZXBVKK-YESZJQIVSA-N 2 2 380.533 0.543 20 0 GCADLP CO[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685183757 1186919634 /nfs/dbraw/zinc/91/96/34/1186919634.db2.gz FNTVCCLLZXBVKK-YESZJQIVSA-N 2 2 380.533 0.543 20 0 GCADLP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000670709251 1186923125 /nfs/dbraw/zinc/92/31/25/1186923125.db2.gz JLMSLLKDCNHTMI-SFHVURJKSA-N 3 2 393.576 0.509 20 0 GCADLP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000670709251 1186923126 /nfs/dbraw/zinc/92/31/26/1186923126.db2.gz JLMSLLKDCNHTMI-SFHVURJKSA-N 3 2 393.576 0.509 20 0 GCADLP CCC1(Cn2cc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)nn2)COC1 ZINC000668689547 1186924273 /nfs/dbraw/zinc/92/42/73/1186924273.db2.gz SLVFBPGUVIXQMS-UHFFFAOYSA-N 2 2 378.521 0.803 20 0 GCADLP CCC1(Cn2cc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)nn2)COC1 ZINC000668689547 1186924277 /nfs/dbraw/zinc/92/42/77/1186924277.db2.gz SLVFBPGUVIXQMS-UHFFFAOYSA-N 2 2 378.521 0.803 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000583741501 1186929362 /nfs/dbraw/zinc/92/93/62/1186929362.db2.gz JWXUOYFLPKVTAY-LSDHHAIUSA-N 2 2 379.530 0.957 20 0 GCADLP COCCn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1=O ZINC000050797802 1186934623 /nfs/dbraw/zinc/93/46/23/1186934623.db2.gz XAHYTTPKYMRLSZ-UHFFFAOYSA-N 2 2 376.501 0.783 20 0 GCADLP CCC1(O)CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685252972 1186980809 /nfs/dbraw/zinc/98/08/09/1186980809.db2.gz UFURZSIPMUUFHA-NCYVPVAZSA-N 2 2 394.560 0.813 20 0 GCADLP CCC1(O)CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685252972 1186980813 /nfs/dbraw/zinc/98/08/13/1186980813.db2.gz UFURZSIPMUUFHA-NCYVPVAZSA-N 2 2 394.560 0.813 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000584073840 1186993877 /nfs/dbraw/zinc/99/38/77/1186993877.db2.gz QAUMFEKCHRMUHQ-IAGOWNOFSA-N 2 2 396.532 0.463 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000584073840 1186993879 /nfs/dbraw/zinc/99/38/79/1186993879.db2.gz QAUMFEKCHRMUHQ-IAGOWNOFSA-N 2 2 396.532 0.463 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1=CC[NH+](C)CC1 ZINC000584080725 1186995766 /nfs/dbraw/zinc/99/57/66/1186995766.db2.gz PNNYBCBFDXAIHZ-INIZCTEOSA-N 3 2 379.549 0.237 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1=CC[NH+](C)CC1 ZINC000584080725 1186995767 /nfs/dbraw/zinc/99/57/67/1186995767.db2.gz PNNYBCBFDXAIHZ-INIZCTEOSA-N 3 2 379.549 0.237 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000584080725 1186995769 /nfs/dbraw/zinc/99/57/69/1186995769.db2.gz PNNYBCBFDXAIHZ-INIZCTEOSA-N 3 2 379.549 0.237 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000584080725 1186995773 /nfs/dbraw/zinc/99/57/73/1186995773.db2.gz PNNYBCBFDXAIHZ-INIZCTEOSA-N 3 2 379.549 0.237 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276386 1187017478 /nfs/dbraw/zinc/01/74/78/1187017478.db2.gz OABCXHMBRWRYND-MDZRGWNJSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276386 1187017480 /nfs/dbraw/zinc/01/74/80/1187017480.db2.gz OABCXHMBRWRYND-MDZRGWNJSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000685276386 1187017483 /nfs/dbraw/zinc/01/74/83/1187017483.db2.gz OABCXHMBRWRYND-MDZRGWNJSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000685276386 1187017484 /nfs/dbraw/zinc/01/74/84/1187017484.db2.gz OABCXHMBRWRYND-MDZRGWNJSA-N 3 2 391.560 0.355 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584232748 1187019044 /nfs/dbraw/zinc/01/90/44/1187019044.db2.gz UHZOBNRJSVYXCI-SFHVURJKSA-N 2 2 387.484 0.157 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000081528894 1187046161 /nfs/dbraw/zinc/04/61/61/1187046161.db2.gz HYQIAGGVERZRFY-DLBZAZTESA-N 2 2 380.489 0.751 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341471 1187105142 /nfs/dbraw/zinc/10/51/42/1187105142.db2.gz MWQLKOVLIDZMLI-FPQWYMTMSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341471 1187105143 /nfs/dbraw/zinc/10/51/43/1187105143.db2.gz MWQLKOVLIDZMLI-FPQWYMTMSA-N 2 2 380.533 0.545 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892392598 1187122469 /nfs/dbraw/zinc/12/24/69/1187122469.db2.gz DTDBHFXCCHXDPC-CQSZACIVSA-N 2 2 386.504 0.973 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443947 1187129184 /nfs/dbraw/zinc/12/91/84/1187129184.db2.gz GYGQFOMGBZUPLO-APWZRJJASA-N 3 2 391.560 0.380 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443947 1187129187 /nfs/dbraw/zinc/12/91/87/1187129187.db2.gz GYGQFOMGBZUPLO-APWZRJJASA-N 3 2 391.560 0.380 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443947 1187129192 /nfs/dbraw/zinc/12/91/92/1187129192.db2.gz GYGQFOMGBZUPLO-APWZRJJASA-N 3 2 391.560 0.380 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443947 1187129193 /nfs/dbraw/zinc/12/91/93/1187129193.db2.gz GYGQFOMGBZUPLO-APWZRJJASA-N 3 2 391.560 0.380 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672014713 1187187973 /nfs/dbraw/zinc/18/79/73/1187187973.db2.gz OUZHOJLHHPURLR-AEFFLSMTSA-N 2 2 380.533 0.546 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2O)CC[N@@H+]1C ZINC001023978541 1187208035 /nfs/dbraw/zinc/20/80/35/1187208035.db2.gz ALTAVDGCNJTCAU-KLZNWCGWSA-N 2 2 385.468 0.366 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2O)CC[N@H+]1C ZINC001023978541 1187208040 /nfs/dbraw/zinc/20/80/40/1187208040.db2.gz ALTAVDGCNJTCAU-KLZNWCGWSA-N 2 2 385.468 0.366 20 0 GCADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC[N@@H+]1CCO ZINC000658129102 1187248208 /nfs/dbraw/zinc/24/82/08/1187248208.db2.gz GYWIYOQOBHVDJR-UHFFFAOYSA-N 2 2 380.533 0.378 20 0 GCADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1CCO ZINC000658129102 1187248211 /nfs/dbraw/zinc/24/82/11/1187248211.db2.gz GYWIYOQOBHVDJR-UHFFFAOYSA-N 2 2 380.533 0.378 20 0 GCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000584317572 1187415512 /nfs/dbraw/zinc/41/55/12/1187415512.db2.gz WTPKCYJYXAJWQM-INIZCTEOSA-N 2 2 389.500 0.418 20 0 GCADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431632051 1187419953 /nfs/dbraw/zinc/41/99/53/1187419953.db2.gz VGJJIOXBBWNDBL-UHFFFAOYSA-N 2 2 397.564 0.635 20 0 GCADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000375808639 1187427147 /nfs/dbraw/zinc/42/71/47/1187427147.db2.gz DGGJJBBLAPNXJB-IEBWSBKVSA-N 2 2 394.560 0.746 20 0 GCADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000375808639 1187427151 /nfs/dbraw/zinc/42/71/51/1187427151.db2.gz DGGJJBBLAPNXJB-IEBWSBKVSA-N 2 2 394.560 0.746 20 0 GCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000658776621 1187455951 /nfs/dbraw/zinc/45/59/51/1187455951.db2.gz BYCKNRFZCSHDCP-IBGZPJMESA-N 2 2 387.528 0.973 20 0 GCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000658776621 1187455952 /nfs/dbraw/zinc/45/59/52/1187455952.db2.gz BYCKNRFZCSHDCP-IBGZPJMESA-N 2 2 387.528 0.973 20 0 GCADLP CN(C(=O)C(=O)NCCCOC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000612361610 1187474635 /nfs/dbraw/zinc/47/46/35/1187474635.db2.gz ZNHHEFTVCVGRFY-KRWDZBQOSA-N 2 2 382.549 0.935 20 0 GCADLP CN(C(=O)C(=O)NCCCOC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000612361610 1187474640 /nfs/dbraw/zinc/47/46/40/1187474640.db2.gz ZNHHEFTVCVGRFY-KRWDZBQOSA-N 2 2 382.549 0.935 20 0 GCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000375908114 1187482977 /nfs/dbraw/zinc/48/29/77/1187482977.db2.gz VEBWBZPCZOCWDQ-INIZCTEOSA-N 2 2 377.489 0.706 20 0 GCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000375908114 1187482979 /nfs/dbraw/zinc/48/29/79/1187482979.db2.gz VEBWBZPCZOCWDQ-INIZCTEOSA-N 2 2 377.489 0.706 20 0 GCADLP COCCC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000448246800 1187483157 /nfs/dbraw/zinc/48/31/57/1187483157.db2.gz GNCKDHCSCOJTQW-UHFFFAOYSA-N 2 2 380.533 0.500 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000612475135 1187501150 /nfs/dbraw/zinc/50/11/50/1187501150.db2.gz PUFHGJQAHLSQPR-LJQANCHMSA-N 2 2 388.512 0.980 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000612475135 1187501156 /nfs/dbraw/zinc/50/11/56/1187501156.db2.gz PUFHGJQAHLSQPR-LJQANCHMSA-N 2 2 388.512 0.980 20 0 GCADLP CC[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000413881771 1187558405 /nfs/dbraw/zinc/55/84/05/1187558405.db2.gz PRPNQJZZGYUBKE-RBUKOAKNSA-N 2 2 396.576 0.789 20 0 GCADLP CC[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000413881771 1187558408 /nfs/dbraw/zinc/55/84/08/1187558408.db2.gz PRPNQJZZGYUBKE-RBUKOAKNSA-N 2 2 396.576 0.789 20 0 GCADLP C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1C[N@H+](C)CCO1 ZINC000133058686 1187570962 /nfs/dbraw/zinc/57/09/62/1187570962.db2.gz YMZBSXPBLVJIPI-NVXWUHKLSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133058686 1187570964 /nfs/dbraw/zinc/57/09/64/1187570964.db2.gz YMZBSXPBLVJIPI-NVXWUHKLSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000133293631 1187591785 /nfs/dbraw/zinc/59/17/85/1187591785.db2.gz DTXHZKXUKAJTSX-DOTOQJQBSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000133293631 1187591790 /nfs/dbraw/zinc/59/17/90/1187591790.db2.gz DTXHZKXUKAJTSX-DOTOQJQBSA-N 2 2 376.505 0.352 20 0 GCADLP Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376092509 1187598274 /nfs/dbraw/zinc/59/82/74/1187598274.db2.gz FNVWNRHBFWWEHB-OXQOHEQNSA-N 2 2 376.501 0.192 20 0 GCADLP Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376092509 1187598277 /nfs/dbraw/zinc/59/82/77/1187598277.db2.gz FNVWNRHBFWWEHB-OXQOHEQNSA-N 2 2 376.501 0.192 20 0 GCADLP C[C@@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000133474037 1187605412 /nfs/dbraw/zinc/60/54/12/1187605412.db2.gz KKOCKMZJZIWNGZ-UYAOXDASSA-N 2 2 389.544 0.823 20 0 GCADLP C[C@@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000133474037 1187605418 /nfs/dbraw/zinc/60/54/18/1187605418.db2.gz KKOCKMZJZIWNGZ-UYAOXDASSA-N 2 2 389.544 0.823 20 0 GCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612901558 1187615994 /nfs/dbraw/zinc/61/59/94/1187615994.db2.gz GXMIOHJTASYWMB-JKSUJKDBSA-N 2 2 398.515 0.920 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000431711180 1187627355 /nfs/dbraw/zinc/62/73/55/1187627355.db2.gz MTAFJYCKLRSROW-DZGCQCFKSA-N 2 2 375.473 0.764 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000431711180 1187627359 /nfs/dbraw/zinc/62/73/59/1187627359.db2.gz MTAFJYCKLRSROW-DZGCQCFKSA-N 2 2 375.473 0.764 20 0 GCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H]1CCO ZINC000658846627 1187641212 /nfs/dbraw/zinc/64/12/12/1187641212.db2.gz YPEVVFCNQCIAMX-WMZOPIPTSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1CCO ZINC000658846627 1187641216 /nfs/dbraw/zinc/64/12/16/1187641216.db2.gz YPEVVFCNQCIAMX-WMZOPIPTSA-N 2 2 382.549 0.480 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)CC2)CC1 ZINC000892522096 1187664770 /nfs/dbraw/zinc/66/47/70/1187664770.db2.gz PNVZGBISFJRLFV-WOJBJXKFSA-N 3 2 393.576 0.786 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)CC2)CC1 ZINC000892522096 1187664774 /nfs/dbraw/zinc/66/47/74/1187664774.db2.gz PNVZGBISFJRLFV-WOJBJXKFSA-N 3 2 393.576 0.786 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)CC2)CC1 ZINC000892522095 1187664851 /nfs/dbraw/zinc/66/48/51/1187664851.db2.gz PNVZGBISFJRLFV-VQTJNVASSA-N 3 2 393.576 0.786 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)CC2)CC1 ZINC000892522095 1187664854 /nfs/dbraw/zinc/66/48/54/1187664854.db2.gz PNVZGBISFJRLFV-VQTJNVASSA-N 3 2 393.576 0.786 20 0 GCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000892543480 1187741818 /nfs/dbraw/zinc/74/18/18/1187741818.db2.gz FSHJUVJWLPRNAE-DLBZAZTESA-N 2 2 386.500 0.466 20 0 GCADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000892543480 1187741820 /nfs/dbraw/zinc/74/18/20/1187741820.db2.gz FSHJUVJWLPRNAE-DLBZAZTESA-N 2 2 386.500 0.466 20 0 GCADLP C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000134038245 1187743943 /nfs/dbraw/zinc/74/39/43/1187743943.db2.gz SWRSNDQSUUEBNU-RDJZCZTQSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134038245 1187743948 /nfs/dbraw/zinc/74/39/48/1187743948.db2.gz SWRSNDQSUUEBNU-RDJZCZTQSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000134038871 1187744197 /nfs/dbraw/zinc/74/41/97/1187744197.db2.gz SWRSNDQSUUEBNU-NVXWUHKLSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000134038871 1187744200 /nfs/dbraw/zinc/74/42/00/1187744200.db2.gz SWRSNDQSUUEBNU-NVXWUHKLSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000376294040 1187752113 /nfs/dbraw/zinc/75/21/13/1187752113.db2.gz QBXNJAOJDKJGFG-ZWKOTPCHSA-N 2 2 387.532 0.867 20 0 GCADLP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000332792651 1187776004 /nfs/dbraw/zinc/77/60/04/1187776004.db2.gz FAGZZWUMLMQESP-NBMJBFSESA-N 2 2 394.560 0.932 20 0 GCADLP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000332792651 1187776009 /nfs/dbraw/zinc/77/60/09/1187776009.db2.gz FAGZZWUMLMQESP-NBMJBFSESA-N 2 2 394.560 0.932 20 0 GCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000376350835 1187783746 /nfs/dbraw/zinc/78/37/46/1187783746.db2.gz LQFVEALLGBDQIL-WBVHZDCISA-N 2 2 386.562 0.764 20 0 GCADLP COCCOC[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892594413 1187805295 /nfs/dbraw/zinc/80/52/95/1187805295.db2.gz KSWXSPRFOJGAPC-MRXNPFEDSA-N 2 2 386.518 0.175 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000249266488 1187821417 /nfs/dbraw/zinc/82/14/17/1187821417.db2.gz IFXHMEUVINXSFZ-SJORKVTESA-N 2 2 380.558 0.779 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000249266488 1187821420 /nfs/dbraw/zinc/82/14/20/1187821420.db2.gz IFXHMEUVINXSFZ-SJORKVTESA-N 2 2 380.558 0.779 20 0 GCADLP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)CC1 ZINC000176336405 1187844637 /nfs/dbraw/zinc/84/46/37/1187844637.db2.gz PWRKZOKPKPOVLS-OAQYLSRUSA-N 2 2 390.528 0.247 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc2)CC1 ZINC000659096955 1187877598 /nfs/dbraw/zinc/87/75/98/1187877598.db2.gz MDVLAXKYHKESEB-UHFFFAOYSA-N 2 2 375.517 0.958 20 0 GCADLP CC(C)O[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000647558357 1187883569 /nfs/dbraw/zinc/88/35/69/1187883569.db2.gz GEHYTWVBANIBBO-ZWKOTPCHSA-N 2 2 380.533 0.639 20 0 GCADLP CC(C)O[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000647558357 1187883575 /nfs/dbraw/zinc/88/35/75/1187883575.db2.gz GEHYTWVBANIBBO-ZWKOTPCHSA-N 2 2 380.533 0.639 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000659345075 1187945641 /nfs/dbraw/zinc/94/56/41/1187945641.db2.gz YCMVGLPCYCZOFT-RDJZCZTQSA-N 2 2 380.533 0.639 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000659345075 1187945643 /nfs/dbraw/zinc/94/56/43/1187945643.db2.gz YCMVGLPCYCZOFT-RDJZCZTQSA-N 2 2 380.533 0.639 20 0 GCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344547 1187946216 /nfs/dbraw/zinc/94/62/16/1187946216.db2.gz DUCNPJWPSULIIG-ROUUACIJSA-N 2 2 380.533 0.641 20 0 GCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344547 1187946217 /nfs/dbraw/zinc/94/62/17/1187946217.db2.gz DUCNPJWPSULIIG-ROUUACIJSA-N 2 2 380.533 0.641 20 0 GCADLP CN(CCOCC1CC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344593 1187947262 /nfs/dbraw/zinc/94/72/62/1187947262.db2.gz IQIXZJHYHOZOOJ-SFHVURJKSA-N 2 2 380.533 0.498 20 0 GCADLP CN(CCOCC1CC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344593 1187947264 /nfs/dbraw/zinc/94/72/64/1187947264.db2.gz IQIXZJHYHOZOOJ-SFHVURJKSA-N 2 2 380.533 0.498 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000659454895 1187960476 /nfs/dbraw/zinc/96/04/76/1187960476.db2.gz PPCUNCLHWPXSKP-GJZGRUSLSA-N 2 2 377.493 0.189 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000659454895 1187960480 /nfs/dbraw/zinc/96/04/80/1187960480.db2.gz PPCUNCLHWPXSKP-GJZGRUSLSA-N 2 2 377.493 0.189 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000376603561 1187968821 /nfs/dbraw/zinc/96/88/21/1187968821.db2.gz CKRDYLYRKDEGAJ-MRXNPFEDSA-N 2 2 381.521 0.045 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000376603561 1187968822 /nfs/dbraw/zinc/96/88/22/1187968822.db2.gz CKRDYLYRKDEGAJ-MRXNPFEDSA-N 2 2 381.521 0.045 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000376603561 1187968824 /nfs/dbraw/zinc/96/88/24/1187968824.db2.gz CKRDYLYRKDEGAJ-MRXNPFEDSA-N 2 2 381.521 0.045 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000376603561 1187968825 /nfs/dbraw/zinc/96/88/25/1187968825.db2.gz CKRDYLYRKDEGAJ-MRXNPFEDSA-N 2 2 381.521 0.045 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000659672766 1187991599 /nfs/dbraw/zinc/99/15/99/1187991599.db2.gz BJWUJEWFOLZPSZ-NEWSRXKRSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000659672766 1187991602 /nfs/dbraw/zinc/99/16/02/1187991602.db2.gz BJWUJEWFOLZPSZ-NEWSRXKRSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000415409066 1188072718 /nfs/dbraw/zinc/07/27/18/1188072718.db2.gz DAYZOUFJPODCNW-MRXNPFEDSA-N 2 2 389.500 0.072 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000415409066 1188072725 /nfs/dbraw/zinc/07/27/25/1188072725.db2.gz DAYZOUFJPODCNW-MRXNPFEDSA-N 2 2 389.500 0.072 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000415409065 1188072983 /nfs/dbraw/zinc/07/29/83/1188072983.db2.gz DAYZOUFJPODCNW-INIZCTEOSA-N 2 2 389.500 0.072 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000415409065 1188072987 /nfs/dbraw/zinc/07/29/87/1188072987.db2.gz DAYZOUFJPODCNW-INIZCTEOSA-N 2 2 389.500 0.072 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415420738 1188076055 /nfs/dbraw/zinc/07/60/55/1188076055.db2.gz BLEURNAXWAKSAH-SFHVURJKSA-N 2 2 375.517 0.862 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000415468951 1188087914 /nfs/dbraw/zinc/08/79/14/1188087914.db2.gz WJAGKXQCLRYNGY-VQIMIIECSA-N 2 2 387.528 0.958 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH2+]C)cc2)CC1 ZINC000415490418 1188090349 /nfs/dbraw/zinc/09/03/49/1188090349.db2.gz YJLGMPRXKBKORG-LJQANCHMSA-N 2 2 387.528 0.973 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377648413 1188095192 /nfs/dbraw/zinc/09/51/92/1188095192.db2.gz NTAHTICIFAERLZ-QZTJIDSGSA-N 2 2 380.533 0.548 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377648413 1188095196 /nfs/dbraw/zinc/09/51/96/1188095196.db2.gz NTAHTICIFAERLZ-QZTJIDSGSA-N 2 2 380.533 0.548 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021055 1188102666 /nfs/dbraw/zinc/10/26/66/1188102666.db2.gz CTVIKRDLCZKVHG-QXAKKESOSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021055 1188102667 /nfs/dbraw/zinc/10/26/67/1188102667.db2.gz CTVIKRDLCZKVHG-QXAKKESOSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021055 1188102668 /nfs/dbraw/zinc/10/26/68/1188102668.db2.gz CTVIKRDLCZKVHG-QXAKKESOSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021055 1188102669 /nfs/dbraw/zinc/10/26/69/1188102669.db2.gz CTVIKRDLCZKVHG-QXAKKESOSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCOC[C@H]3C[C@@H]3CCOC3)C2)CC1 ZINC000893024897 1188104136 /nfs/dbraw/zinc/10/41/36/1188104136.db2.gz WXPWBWMZMYBNRK-JENIJYKNSA-N 2 2 380.533 0.992 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCOC[C@H]3C[C@@H]3CCOC3)C2)CC1 ZINC000893024897 1188104140 /nfs/dbraw/zinc/10/41/40/1188104140.db2.gz WXPWBWMZMYBNRK-JENIJYKNSA-N 2 2 380.533 0.992 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000415551859 1188104330 /nfs/dbraw/zinc/10/43/30/1188104330.db2.gz DXKHYHGFWLZZHO-CABCVRRESA-N 2 2 387.484 0.222 20 0 GCADLP CC(=O)c1cn(C2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)nn1 ZINC000893023907 1188105579 /nfs/dbraw/zinc/10/55/79/1188105579.db2.gz ROWNXJAFYVSRPC-CQSZACIVSA-N 2 2 375.477 0.216 20 0 GCADLP CC(=O)c1cn(C2CN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)nn1 ZINC000893023907 1188105581 /nfs/dbraw/zinc/10/55/81/1188105581.db2.gz ROWNXJAFYVSRPC-CQSZACIVSA-N 2 2 375.477 0.216 20 0 GCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000377725594 1188118139 /nfs/dbraw/zinc/11/81/39/1188118139.db2.gz WEICQEOPSSQEDL-UHFFFAOYSA-N 2 2 380.533 0.692 20 0 GCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000377725594 1188118143 /nfs/dbraw/zinc/11/81/43/1188118143.db2.gz WEICQEOPSSQEDL-UHFFFAOYSA-N 2 2 380.533 0.692 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000415608811 1188126536 /nfs/dbraw/zinc/12/65/36/1188126536.db2.gz VBTGNYSWIDCYJN-NRFANRHFSA-N 2 2 385.512 0.585 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000415657446 1188134358 /nfs/dbraw/zinc/13/43/58/1188134358.db2.gz NSHIXFLYCHJJKF-MRXNPFEDSA-N 2 2 375.517 0.877 20 0 GCADLP CN1C(=O)NC2(CC[NH+](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1=O ZINC000270961230 1188139979 /nfs/dbraw/zinc/13/99/79/1188139979.db2.gz VAKGQYXAGSWOFJ-UHFFFAOYSA-N 2 2 399.495 0.347 20 0 GCADLP C[NH+](C)C[C@@H]1CCN(c2nc(NC3CC3)nc(N3CC[C@@H](C[NH+](C)C)C3)[nH+]2)C1 ZINC000893118749 1189373426 /nfs/dbraw/zinc/37/34/26/1189373426.db2.gz JKWCUERVBLGHMD-HOTGVXAUSA-N 3 2 388.564 0.644 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415847264 1189379906 /nfs/dbraw/zinc/37/99/06/1189379906.db2.gz KYAHBTRSPBMCEV-UKRRQHHQSA-N 2 2 375.473 0.608 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000271095187 1189388815 /nfs/dbraw/zinc/38/88/15/1189388815.db2.gz IXTQEBDOHMJAFZ-GOSISDBHSA-N 2 2 388.512 0.415 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000415898936 1189400466 /nfs/dbraw/zinc/40/04/66/1189400466.db2.gz UEWKALJKKAXZPS-RTBURBONSA-N 2 2 399.539 0.831 20 0 GCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416028172 1189414912 /nfs/dbraw/zinc/41/49/12/1189414912.db2.gz LPOLTCRZVCAVIT-KRWDZBQOSA-N 2 2 391.516 0.813 20 0 GCADLP C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416028172 1189414913 /nfs/dbraw/zinc/41/49/13/1189414913.db2.gz LPOLTCRZVCAVIT-KRWDZBQOSA-N 2 2 391.516 0.813 20 0 GCADLP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000378322075 1189476733 /nfs/dbraw/zinc/47/67/33/1189476733.db2.gz CLQUVVTYCFTWDI-UHFFFAOYSA-N 2 2 381.565 0.461 20 0 GCADLP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000378337588 1189480345 /nfs/dbraw/zinc/48/03/45/1189480345.db2.gz VLCKCTTZUNHOJP-LJQANCHMSA-N 2 2 394.560 0.748 20 0 GCADLP COc1ccccc1CNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378423346 1189502178 /nfs/dbraw/zinc/50/21/78/1189502178.db2.gz BVKLBJJPXCCZSC-UHFFFAOYSA-N 2 2 377.485 0.471 20 0 GCADLP COC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363896164 1189557098 /nfs/dbraw/zinc/55/70/98/1189557098.db2.gz FYHGKGRIOKQZKZ-CQSZACIVSA-N 2 2 388.468 0.696 20 0 GCADLP COC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363896164 1189557101 /nfs/dbraw/zinc/55/71/01/1189557101.db2.gz FYHGKGRIOKQZKZ-CQSZACIVSA-N 2 2 388.468 0.696 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)OCCO4)C2)CC1 ZINC000363899515 1189560057 /nfs/dbraw/zinc/56/00/57/1189560057.db2.gz IDMPVDCILMMBIT-OAHLLOKOSA-N 2 2 388.468 0.681 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)OCCO4)C2)CC1 ZINC000363899515 1189560059 /nfs/dbraw/zinc/56/00/59/1189560059.db2.gz IDMPVDCILMMBIT-OAHLLOKOSA-N 2 2 388.468 0.681 20 0 GCADLP COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000363908179 1189567654 /nfs/dbraw/zinc/56/76/54/1189567654.db2.gz FAUSYVGJAWHRLX-OAHLLOKOSA-N 2 2 390.484 0.927 20 0 GCADLP COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000363908179 1189567661 /nfs/dbraw/zinc/56/76/61/1189567661.db2.gz FAUSYVGJAWHRLX-OAHLLOKOSA-N 2 2 390.484 0.927 20 0 GCADLP Cn1nnnc1CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000893268379 1189572644 /nfs/dbraw/zinc/57/26/44/1189572644.db2.gz VQWIMOFOLQBWIW-UHFFFAOYSA-N 2 2 378.525 0.392 20 0 GCADLP COC[C@]1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000416803451 1189584202 /nfs/dbraw/zinc/58/42/02/1189584202.db2.gz CFCZFULGGGAIRT-UYAOXDASSA-N 2 2 376.501 0.955 20 0 GCADLP COC[C@]1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000416803451 1189584206 /nfs/dbraw/zinc/58/42/06/1189584206.db2.gz CFCZFULGGGAIRT-UYAOXDASSA-N 2 2 376.501 0.955 20 0 GCADLP COCC[NH2+]CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000416937724 1189595523 /nfs/dbraw/zinc/59/55/23/1189595523.db2.gz YDADQBQPMSSDMK-UHFFFAOYSA-N 2 2 377.489 0.625 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[C@@H](C)O1 ZINC000416940944 1189596421 /nfs/dbraw/zinc/59/64/21/1189596421.db2.gz JOVGYHHMSDDNRB-BRWVUGGUSA-N 2 2 381.521 0.092 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417293236 1189642362 /nfs/dbraw/zinc/64/23/62/1189642362.db2.gz FIPQKWHKZBSILJ-GOSISDBHSA-N 2 2 391.516 0.100 20 0 GCADLP [NH3+]CC[C@@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)F ZINC000417360390 1189652546 /nfs/dbraw/zinc/65/25/46/1189652546.db2.gz AKXDDQVAKRZXGO-CYBMUJFWSA-N 2 2 384.431 0.402 20 0 GCADLP O=C(NCCC[C@@H]1CCC[NH2+]1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417370058 1189654531 /nfs/dbraw/zinc/65/45/31/1189654531.db2.gz SDQSEOYPEPJMFM-KRWDZBQOSA-N 2 2 388.516 0.952 20 0 GCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417372220 1189654685 /nfs/dbraw/zinc/65/46/85/1189654685.db2.gz YEMYFRRXISWPEC-SJORKVTESA-N 2 2 388.516 0.937 20 0 GCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417372218 1189654703 /nfs/dbraw/zinc/65/47/03/1189654703.db2.gz YEMYFRRXISWPEC-IAGOWNOFSA-N 2 2 388.516 0.937 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@H]1[NH+]1CCOCC1 ZINC000584776021 1189660811 /nfs/dbraw/zinc/66/08/11/1189660811.db2.gz CXUJLOZLTDLNBP-RCCFBDPRSA-N 2 2 392.544 0.546 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC000584826981 1189681694 /nfs/dbraw/zinc/68/16/94/1189681694.db2.gz QKKKBEIFZXNUND-IKGGRYGDSA-N 2 2 382.505 0.376 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@@H+](C)C1 ZINC000584826981 1189681698 /nfs/dbraw/zinc/68/16/98/1189681698.db2.gz QKKKBEIFZXNUND-IKGGRYGDSA-N 2 2 382.505 0.376 20 0 GCADLP COC[C@]1(CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000417602674 1189690229 /nfs/dbraw/zinc/69/02/29/1189690229.db2.gz OZNTVXUJVGUQCS-TZIWHRDSSA-N 2 2 390.528 0.998 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417613688 1189690591 /nfs/dbraw/zinc/69/05/91/1189690591.db2.gz AIUZJPWECKHQGE-HZPDHXFCSA-N 2 2 391.520 0.579 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417613688 1189690596 /nfs/dbraw/zinc/69/05/96/1189690596.db2.gz AIUZJPWECKHQGE-HZPDHXFCSA-N 2 2 391.520 0.579 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000584853032 1189693113 /nfs/dbraw/zinc/69/31/13/1189693113.db2.gz LFSXUBGVBQSJLK-ROUUACIJSA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000584853032 1189693117 /nfs/dbraw/zinc/69/31/17/1189693117.db2.gz LFSXUBGVBQSJLK-ROUUACIJSA-N 2 2 382.549 0.696 20 0 GCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000660342769 1189721844 /nfs/dbraw/zinc/72/18/44/1189721844.db2.gz WKAPEZFSXVNTLM-MRXNPFEDSA-N 2 2 378.517 0.395 20 0 GCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000660342769 1189721846 /nfs/dbraw/zinc/72/18/46/1189721846.db2.gz WKAPEZFSXVNTLM-MRXNPFEDSA-N 2 2 378.517 0.395 20 0 GCADLP O=C(CCC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000579594084 1189727804 /nfs/dbraw/zinc/72/78/04/1189727804.db2.gz YNTBQPWXGQVQNE-IAGOWNOFSA-N 2 2 387.484 0.100 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418288751 1189746759 /nfs/dbraw/zinc/74/67/59/1189746759.db2.gz BPRUMTUMENBIRE-LJQANCHMSA-N 2 2 389.544 0.824 20 0 GCADLP COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000893354628 1189775142 /nfs/dbraw/zinc/77/51/42/1189775142.db2.gz OOFYHENZUAVVGB-KRWDZBQOSA-N 2 2 375.469 0.804 20 0 GCADLP COCCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1=O ZINC000601478199 1189826017 /nfs/dbraw/zinc/82/60/17/1189826017.db2.gz AIZURTVJFKBEAD-GOSISDBHSA-N 2 2 376.501 0.735 20 0 GCADLP COCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1=O ZINC000601478199 1189826025 /nfs/dbraw/zinc/82/60/25/1189826025.db2.gz AIZURTVJFKBEAD-GOSISDBHSA-N 2 2 376.501 0.735 20 0 GCADLP C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000431983909 1189828307 /nfs/dbraw/zinc/82/83/07/1189828307.db2.gz FSKMEOJDDHSBDL-SJORKVTESA-N 2 2 383.537 0.387 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000636607292 1189885524 /nfs/dbraw/zinc/88/55/24/1189885524.db2.gz XPLHCAUWXXBPTF-FQEVSTJZSA-N 2 2 380.533 0.776 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000636607292 1189885531 /nfs/dbraw/zinc/88/55/31/1189885531.db2.gz XPLHCAUWXXBPTF-FQEVSTJZSA-N 2 2 380.533 0.776 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660628039 1189918574 /nfs/dbraw/zinc/91/85/74/1189918574.db2.gz ZFXDIMCYSRYUNL-KRWDZBQOSA-N 2 2 381.521 0.045 20 0 GCADLP O=C(C[NH+]1CCC2(CC1)OCCO2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000026934582 1189931053 /nfs/dbraw/zinc/93/10/53/1189931053.db2.gz APUQIUDBIFBTOF-UHFFFAOYSA-N 2 2 389.496 0.974 20 0 GCADLP C[NH+](C)CCOc1cc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccn1 ZINC000660965731 1189973798 /nfs/dbraw/zinc/97/37/98/1189973798.db2.gz GFHLMJOAWCINGH-KRWDZBQOSA-N 2 2 377.489 0.638 20 0 GCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661008397 1189980352 /nfs/dbraw/zinc/98/03/52/1189980352.db2.gz BSSKQAWYOXGZEF-UXHICEINSA-N 2 2 388.512 0.869 20 0 GCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661008397 1189980355 /nfs/dbraw/zinc/98/03/55/1189980355.db2.gz BSSKQAWYOXGZEF-UXHICEINSA-N 2 2 388.512 0.869 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662759481 1190021708 /nfs/dbraw/zinc/02/17/08/1190021708.db2.gz XZLYFBBWPVHZOG-UHFFFAOYSA-N 2 2 383.500 0.755 20 0 GCADLP O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661443407 1190049169 /nfs/dbraw/zinc/04/91/69/1190049169.db2.gz QCZYZKWJJSMRTC-LJQANCHMSA-N 2 2 380.533 0.994 20 0 GCADLP Cn1c(N)c(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(=O)n(C)c1=O ZINC000045806954 1190055483 /nfs/dbraw/zinc/05/54/83/1190055483.db2.gz OZGGWUGTKJOHBH-UHFFFAOYSA-N 2 2 391.516 0.437 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)CO1 ZINC000663915686 1193725915 /nfs/dbraw/zinc/72/59/15/1193725915.db2.gz GWXHHYCMVQBNIW-GVDBMIGSSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)CO1 ZINC000663915686 1193725918 /nfs/dbraw/zinc/72/59/18/1193725918.db2.gz GWXHHYCMVQBNIW-GVDBMIGSSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)CO1 ZINC000663915686 1193725920 /nfs/dbraw/zinc/72/59/20/1193725920.db2.gz GWXHHYCMVQBNIW-GVDBMIGSSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)CO1 ZINC000663915686 1193725923 /nfs/dbraw/zinc/72/59/23/1193725923.db2.gz GWXHHYCMVQBNIW-GVDBMIGSSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247292778 1193735844 /nfs/dbraw/zinc/73/58/44/1193735844.db2.gz HLZWIKCZXLSSBB-MAUKXSAKSA-N 2 2 385.468 0.947 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247292778 1193735846 /nfs/dbraw/zinc/73/58/46/1193735846.db2.gz HLZWIKCZXLSSBB-MAUKXSAKSA-N 2 2 385.468 0.947 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000411212588 1193736864 /nfs/dbraw/zinc/73/68/64/1193736864.db2.gz VLVWHPMAXVXSAB-UHFFFAOYSA-N 2 2 384.440 0.039 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)CC2 ZINC000419231712 1193739658 /nfs/dbraw/zinc/73/96/58/1193739658.db2.gz KAZJHFAZTAPDJC-MRXNPFEDSA-N 2 2 390.484 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)CC2 ZINC000419231712 1193739663 /nfs/dbraw/zinc/73/96/63/1193739663.db2.gz KAZJHFAZTAPDJC-MRXNPFEDSA-N 2 2 390.484 0.032 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000419287930 1193787031 /nfs/dbraw/zinc/78/70/31/1193787031.db2.gz SCUNKQPRLRGTFP-GOSISDBHSA-N 3 2 393.576 0.556 20 0 GCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000419326961 1193820640 /nfs/dbraw/zinc/82/06/40/1193820640.db2.gz CNBYAQNHXOQASR-KRWDZBQOSA-N 2 2 387.528 0.261 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCO[C@H]3C3CC3)CC2)CC1 ZINC000582138722 1193891552 /nfs/dbraw/zinc/89/15/52/1193891552.db2.gz ZFDQLGZJLBPZLO-ROUUACIJSA-N 2 2 378.517 0.345 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NC2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419386455 1193896776 /nfs/dbraw/zinc/89/67/76/1193896776.db2.gz IRQCPNNCYJYJTG-DLBZAZTESA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NC2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419386455 1193896782 /nfs/dbraw/zinc/89/67/82/1193896782.db2.gz IRQCPNNCYJYJTG-DLBZAZTESA-N 2 2 394.903 0.696 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419391545 1193902894 /nfs/dbraw/zinc/90/28/94/1193902894.db2.gz NEKNLPYKQXAYAB-JKSUJKDBSA-N 2 2 380.876 0.260 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419391545 1193902895 /nfs/dbraw/zinc/90/28/95/1193902895.db2.gz NEKNLPYKQXAYAB-JKSUJKDBSA-N 2 2 380.876 0.260 20 0 GCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000261640646 1193922172 /nfs/dbraw/zinc/92/21/72/1193922172.db2.gz CDHPUXXRIQKAOD-IBGZPJMESA-N 2 2 382.512 0.954 20 0 GCADLP C[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000261982795 1193934633 /nfs/dbraw/zinc/93/46/33/1193934633.db2.gz CWRNETWWQNGPRF-PXNSSMCTSA-N 2 2 389.519 0.842 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000643371964 1193940205 /nfs/dbraw/zinc/94/02/05/1193940205.db2.gz SPANNEKLXFUXPS-ROUUACIJSA-N 3 2 379.549 0.166 20 0 GCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000643371964 1193940207 /nfs/dbraw/zinc/94/02/07/1193940207.db2.gz SPANNEKLXFUXPS-ROUUACIJSA-N 3 2 379.549 0.166 20 0 GCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643371964 1193940209 /nfs/dbraw/zinc/94/02/09/1193940209.db2.gz SPANNEKLXFUXPS-ROUUACIJSA-N 3 2 379.549 0.166 20 0 GCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643371964 1193940212 /nfs/dbraw/zinc/94/02/12/1193940212.db2.gz SPANNEKLXFUXPS-ROUUACIJSA-N 3 2 379.549 0.166 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419393908 1193952527 /nfs/dbraw/zinc/95/25/27/1193952527.db2.gz RBBQTAIEDPDWTQ-XOKHGSTOSA-N 2 2 394.903 0.635 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419393908 1193952528 /nfs/dbraw/zinc/95/25/28/1193952528.db2.gz RBBQTAIEDPDWTQ-XOKHGSTOSA-N 2 2 394.903 0.635 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c2ccc(Cl)cc2)C1 ZINC000419395827 1193952973 /nfs/dbraw/zinc/95/29/73/1193952973.db2.gz USHNXSJUDRZQNJ-IXDOHACOSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c2ccc(Cl)cc2)C1 ZINC000419395827 1193952976 /nfs/dbraw/zinc/95/29/76/1193952976.db2.gz USHNXSJUDRZQNJ-IXDOHACOSA-N 2 2 394.903 0.778 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000513463672 1193953697 /nfs/dbraw/zinc/95/36/97/1193953697.db2.gz PAMBTGUQSZHGOG-GJZGRUSLSA-N 2 2 384.521 0.175 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000513463672 1193953701 /nfs/dbraw/zinc/95/37/01/1193953701.db2.gz PAMBTGUQSZHGOG-GJZGRUSLSA-N 2 2 384.521 0.175 20 0 GCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC[N@H+]3CC=CCC3)c2)CC1 ZINC000280450442 1193996098 /nfs/dbraw/zinc/99/60/98/1193996098.db2.gz NCKYYXDSUIZKMR-UHFFFAOYSA-N 2 2 385.512 0.751 20 0 GCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC[N@@H+]3CC=CCC3)c2)CC1 ZINC000280450442 1193996101 /nfs/dbraw/zinc/99/61/01/1193996101.db2.gz NCKYYXDSUIZKMR-UHFFFAOYSA-N 2 2 385.512 0.751 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419397955 1194018556 /nfs/dbraw/zinc/01/85/56/1194018556.db2.gz YVGGMQCHDBSXQJ-IAOVAPTHSA-N 2 2 396.919 0.800 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419397955 1194018564 /nfs/dbraw/zinc/01/85/64/1194018564.db2.gz YVGGMQCHDBSXQJ-IAOVAPTHSA-N 2 2 396.919 0.800 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419397957 1194018738 /nfs/dbraw/zinc/01/87/38/1194018738.db2.gz YVGGMQCHDBSXQJ-RRQGHBQHSA-N 2 2 396.919 0.800 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419397957 1194018741 /nfs/dbraw/zinc/01/87/41/1194018741.db2.gz YVGGMQCHDBSXQJ-RRQGHBQHSA-N 2 2 396.919 0.800 20 0 GCADLP CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411729 1194028936 /nfs/dbraw/zinc/02/89/36/1194028936.db2.gz IEVDYCJRAPMVHG-CVEARBPZSA-N 2 2 398.454 0.492 20 0 GCADLP CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411729 1194028939 /nfs/dbraw/zinc/02/89/39/1194028939.db2.gz IEVDYCJRAPMVHG-CVEARBPZSA-N 2 2 398.454 0.492 20 0 GCADLP CC(C)C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000501036987 1194042747 /nfs/dbraw/zinc/04/27/47/1194042747.db2.gz OVELOJBHRJJTJD-KRWDZBQOSA-N 2 2 383.537 0.197 20 0 GCADLP COc1ccccc1[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000501059831 1194044962 /nfs/dbraw/zinc/04/49/62/1194044962.db2.gz OIJUTQCCQKBQBO-KRWDZBQOSA-N 2 2 391.516 0.761 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419504917 1194046734 /nfs/dbraw/zinc/04/67/34/1194046734.db2.gz KTPYLBKXMUXHNG-JKSUJKDBSA-N 2 2 391.491 0.260 20 0 GCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419507056 1194048170 /nfs/dbraw/zinc/04/81/70/1194048170.db2.gz OPYOPPKMEDIWEY-WBVHZDCISA-N 2 2 391.491 0.308 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419512266 1194050938 /nfs/dbraw/zinc/05/09/38/1194050938.db2.gz WZJXNZUUOJQQHM-CVEARBPZSA-N 2 2 391.491 0.273 20 0 GCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419511352 1194051203 /nfs/dbraw/zinc/05/12/03/1194051203.db2.gz VNKBDJPJGXYQBB-UHFFFAOYSA-N 2 2 391.491 0.322 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419718427 1194092033 /nfs/dbraw/zinc/09/20/33/1194092033.db2.gz DKRYAMCUAPVNGM-CYBMUJFWSA-N 2 2 380.439 0.866 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419720022 1194092107 /nfs/dbraw/zinc/09/21/07/1194092107.db2.gz HEVKMWPAOKWVKO-WMLDXEAASA-N 2 2 391.422 0.930 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419850600 1194114718 /nfs/dbraw/zinc/11/47/18/1194114718.db2.gz GYCSGVPYGBQNOX-SFHVURJKSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419850600 1194114722 /nfs/dbraw/zinc/11/47/22/1194114722.db2.gz GYCSGVPYGBQNOX-SFHVURJKSA-N 2 2 387.528 0.131 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000419829269 1194115145 /nfs/dbraw/zinc/11/51/45/1194115145.db2.gz SRZXCPDWBFXDRN-YESZJQIVSA-N 2 2 388.512 0.732 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000419829269 1194115148 /nfs/dbraw/zinc/11/51/48/1194115148.db2.gz SRZXCPDWBFXDRN-YESZJQIVSA-N 2 2 388.512 0.732 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000419887767 1194133539 /nfs/dbraw/zinc/13/35/39/1194133539.db2.gz LHYZHVDROKHSPJ-MRXNPFEDSA-N 2 2 388.516 0.673 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419894830 1194135063 /nfs/dbraw/zinc/13/50/63/1194135063.db2.gz RJCVWVRMBZTPJP-QXAKKESOSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419894830 1194135066 /nfs/dbraw/zinc/13/50/66/1194135066.db2.gz RJCVWVRMBZTPJP-QXAKKESOSA-N 3 2 393.576 0.650 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419996070 1194154396 /nfs/dbraw/zinc/15/43/96/1194154396.db2.gz MYAGYUYLVRQAEV-NXHRZFHOSA-N 3 2 381.565 0.636 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419996070 1194154399 /nfs/dbraw/zinc/15/43/99/1194154399.db2.gz MYAGYUYLVRQAEV-NXHRZFHOSA-N 3 2 381.565 0.636 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)c1 ZINC000420024002 1194158911 /nfs/dbraw/zinc/15/89/11/1194158911.db2.gz BARYMVNMNZLXJT-WMZOPIPTSA-N 2 2 388.512 0.868 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000420032341 1194161062 /nfs/dbraw/zinc/16/10/62/1194161062.db2.gz HWIHTEOVRLKCNR-KKUMJFAQSA-N 2 2 377.489 0.430 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000420015276 1194161943 /nfs/dbraw/zinc/16/19/43/1194161943.db2.gz LRUHTNOYCUGMIF-MAUKXSAKSA-N 2 2 376.501 1.000 20 0 GCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420056684 1194163719 /nfs/dbraw/zinc/16/37/19/1194163719.db2.gz IUEOOQTUVABUKT-HUUCEWRRSA-N 2 2 379.505 0.913 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000420060552 1194164466 /nfs/dbraw/zinc/16/44/66/1194164466.db2.gz QROQVMSQQWSANF-UHFFFAOYSA-N 2 2 398.548 0.221 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420038226 1194165432 /nfs/dbraw/zinc/16/54/32/1194165432.db2.gz IHDUMVGBKMAITE-UHFFFAOYSA-N 3 2 395.592 0.899 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420038226 1194165434 /nfs/dbraw/zinc/16/54/34/1194165434.db2.gz IHDUMVGBKMAITE-UHFFFAOYSA-N 3 2 395.592 0.899 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420046172 1194168265 /nfs/dbraw/zinc/16/82/65/1194168265.db2.gz VKOZOAVZNJYNDX-SJLPKXTDSA-N 2 2 388.512 0.868 20 0 GCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)c1C ZINC000420054482 1194170056 /nfs/dbraw/zinc/17/00/56/1194170056.db2.gz HEMPJURUOFMSHH-KBPBESRZSA-N 2 2 378.473 0.895 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420069139 1194171512 /nfs/dbraw/zinc/17/15/12/1194171512.db2.gz HPOKTJUGLGKFQP-KRWDZBQOSA-N 2 2 395.548 0.023 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420069139 1194171517 /nfs/dbraw/zinc/17/15/17/1194171517.db2.gz HPOKTJUGLGKFQP-KRWDZBQOSA-N 2 2 395.548 0.023 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420074835 1194173081 /nfs/dbraw/zinc/17/30/81/1194173081.db2.gz ZYFPCQBLRPZDGY-FUHWJXTLSA-N 2 2 388.512 0.603 20 0 GCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159026 1194191206 /nfs/dbraw/zinc/19/12/06/1194191206.db2.gz HOJLLERXJQWRGO-IAGOWNOFSA-N 2 2 380.533 0.450 20 0 GCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159026 1194191209 /nfs/dbraw/zinc/19/12/09/1194191209.db2.gz HOJLLERXJQWRGO-IAGOWNOFSA-N 2 2 380.533 0.450 20 0 GCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)cn1 ZINC000420169981 1194200234 /nfs/dbraw/zinc/20/02/34/1194200234.db2.gz RTZWITSPBWRHTN-KRWDZBQOSA-N 2 2 390.532 0.349 20 0 GCADLP Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)cn1 ZINC000420169981 1194200239 /nfs/dbraw/zinc/20/02/39/1194200239.db2.gz RTZWITSPBWRHTN-KRWDZBQOSA-N 2 2 390.532 0.349 20 0 GCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@@H]1C ZINC000501602654 1194202868 /nfs/dbraw/zinc/20/28/68/1194202868.db2.gz VQTGGYXBNQBQFY-WMZOPIPTSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@@H]1C ZINC000501602654 1194202869 /nfs/dbraw/zinc/20/28/69/1194202869.db2.gz VQTGGYXBNQBQFY-WMZOPIPTSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1C ZINC000501602654 1194202872 /nfs/dbraw/zinc/20/28/72/1194202872.db2.gz VQTGGYXBNQBQFY-WMZOPIPTSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1C ZINC000501602654 1194202876 /nfs/dbraw/zinc/20/28/76/1194202876.db2.gz VQTGGYXBNQBQFY-WMZOPIPTSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H]1C ZINC000501602651 1194203038 /nfs/dbraw/zinc/20/30/38/1194203038.db2.gz VQTGGYXBNQBQFY-AEFFLSMTSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H]1C ZINC000501602651 1194203042 /nfs/dbraw/zinc/20/30/42/1194203042.db2.gz VQTGGYXBNQBQFY-AEFFLSMTSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1C ZINC000501602651 1194203047 /nfs/dbraw/zinc/20/30/47/1194203047.db2.gz VQTGGYXBNQBQFY-AEFFLSMTSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1C ZINC000501602651 1194203051 /nfs/dbraw/zinc/20/30/51/1194203051.db2.gz VQTGGYXBNQBQFY-AEFFLSMTSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000420194170 1194208383 /nfs/dbraw/zinc/20/83/83/1194208383.db2.gz ZXXKUERMJUPXLW-INIZCTEOSA-N 2 2 392.500 0.253 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501618309 1194214740 /nfs/dbraw/zinc/21/47/40/1194214740.db2.gz ZVBGQWSPQJDZGX-GOSISDBHSA-N 2 2 380.533 0.548 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501618309 1194214744 /nfs/dbraw/zinc/21/47/44/1194214744.db2.gz ZVBGQWSPQJDZGX-GOSISDBHSA-N 2 2 380.533 0.548 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000501645657 1194215976 /nfs/dbraw/zinc/21/59/76/1194215976.db2.gz LXULFRBGUJFMTJ-BHIYHBOVSA-N 2 2 392.544 0.546 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000501645657 1194215980 /nfs/dbraw/zinc/21/59/80/1194215980.db2.gz LXULFRBGUJFMTJ-BHIYHBOVSA-N 2 2 392.544 0.546 20 0 GCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000420361652 1194224583 /nfs/dbraw/zinc/22/45/83/1194224583.db2.gz MJNOKXXGPALMDA-QGZVFWFLSA-N 2 2 396.557 0.624 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373866 1194225110 /nfs/dbraw/zinc/22/51/10/1194225110.db2.gz GYVLJCMXWBSWJC-MOPGFXCFSA-N 3 2 385.516 0.793 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373866 1194225113 /nfs/dbraw/zinc/22/51/13/1194225113.db2.gz GYVLJCMXWBSWJC-MOPGFXCFSA-N 3 2 385.516 0.793 20 0 GCADLP CC(C)[NH+](CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)C ZINC000420677992 1194253480 /nfs/dbraw/zinc/25/34/80/1194253480.db2.gz TYXDBVTZHSNVEY-UHFFFAOYSA-N 2 2 398.548 0.219 20 0 GCADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000420873189 1194269893 /nfs/dbraw/zinc/26/98/93/1194269893.db2.gz IJJILQAGKAPCGM-RTBURBONSA-N 2 2 399.495 0.653 20 0 GCADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000420873189 1194269896 /nfs/dbraw/zinc/26/98/96/1194269896.db2.gz IJJILQAGKAPCGM-RTBURBONSA-N 2 2 399.495 0.653 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)CC1 ZINC000420985144 1194278683 /nfs/dbraw/zinc/27/86/83/1194278683.db2.gz VOLNREKHPXVMPI-OAHLLOKOSA-N 2 2 376.553 1.073 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)CC1 ZINC000420985144 1194278687 /nfs/dbraw/zinc/27/86/87/1194278687.db2.gz VOLNREKHPXVMPI-OAHLLOKOSA-N 2 2 376.553 1.073 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000420969879 1194279423 /nfs/dbraw/zinc/27/94/23/1194279423.db2.gz CZGBVLCIUHNOPO-UHFFFAOYSA-N 2 2 398.548 0.030 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000421214982 1194305772 /nfs/dbraw/zinc/30/57/72/1194305772.db2.gz CRQLXYKBFVAIFH-ROUUACIJSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000421214982 1194305775 /nfs/dbraw/zinc/30/57/75/1194305775.db2.gz CRQLXYKBFVAIFH-ROUUACIJSA-N 2 2 382.549 0.698 20 0 GCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421405565 1194335960 /nfs/dbraw/zinc/33/59/60/1194335960.db2.gz ICHLXYFPCBWLSE-LJQANCHMSA-N 2 2 388.512 0.688 20 0 GCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421405565 1194335964 /nfs/dbraw/zinc/33/59/64/1194335964.db2.gz ICHLXYFPCBWLSE-LJQANCHMSA-N 2 2 388.512 0.688 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3COCCN3CC(F)F)CC2)CC1 ZINC000422014998 1194376088 /nfs/dbraw/zinc/37/60/88/1194376088.db2.gz GHACXDITRHJYSG-KRWDZBQOSA-N 2 2 388.503 0.971 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3COCCN3CC(F)F)CC2)CC1 ZINC000422014998 1194376090 /nfs/dbraw/zinc/37/60/90/1194376090.db2.gz GHACXDITRHJYSG-KRWDZBQOSA-N 2 2 388.503 0.971 20 0 GCADLP COCCN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000503066070 1194378699 /nfs/dbraw/zinc/37/86/99/1194378699.db2.gz YOLMQWFYAREALG-INIZCTEOSA-N 2 2 386.518 0.176 20 0 GCADLP COCCN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000503066070 1194378704 /nfs/dbraw/zinc/37/87/04/1194378704.db2.gz YOLMQWFYAREALG-INIZCTEOSA-N 2 2 386.518 0.176 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(=O)[nH]c(N(C)C)n3)CC2)CC1 ZINC000422017448 1194378863 /nfs/dbraw/zinc/37/88/63/1194378863.db2.gz IZVBJWUYAPTPHI-UHFFFAOYSA-N 2 2 376.505 0.880 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(=O)[nH]c(N(C)C)n3)CC2)CC1 ZINC000422017448 1194378867 /nfs/dbraw/zinc/37/88/67/1194378867.db2.gz IZVBJWUYAPTPHI-UHFFFAOYSA-N 2 2 376.505 0.880 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](CC)O1 ZINC000422110763 1194392400 /nfs/dbraw/zinc/39/24/00/1194392400.db2.gz XEKKRDNVDRQBRK-QZTJIDSGSA-N 2 2 382.549 0.887 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](CC)O1 ZINC000422110763 1194392405 /nfs/dbraw/zinc/39/24/05/1194392405.db2.gz XEKKRDNVDRQBRK-QZTJIDSGSA-N 2 2 382.549 0.887 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000271790160 1194412627 /nfs/dbraw/zinc/41/26/27/1194412627.db2.gz ISJWORCYRLEDGI-INIZCTEOSA-N 2 2 377.489 0.923 20 0 GCADLP O=S1(=O)C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H](N2CCOCC2)C1 ZINC000272828640 1194507302 /nfs/dbraw/zinc/50/73/02/1194507302.db2.gz HKKCEXUTJWQLGA-DLBZAZTESA-N 2 2 380.514 0.138 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000273095175 1194538250 /nfs/dbraw/zinc/53/82/50/1194538250.db2.gz UMNWGCUAZANBOY-YLJYHZDGSA-N 2 2 399.499 0.559 20 0 GCADLP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273366091 1194557982 /nfs/dbraw/zinc/55/79/82/1194557982.db2.gz BFRICQUOCRBORK-UHFFFAOYSA-N 2 2 392.500 0.482 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCOCC3CCCC3)CC2)CC1 ZINC000422278581 1194599088 /nfs/dbraw/zinc/59/90/88/1194599088.db2.gz AOLANPGBXZYTPA-UHFFFAOYSA-N 2 2 394.560 0.984 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422331295 1194618389 /nfs/dbraw/zinc/61/83/89/1194618389.db2.gz XAAWZMQULQRSPV-QGZVFWFLSA-N 2 2 398.548 0.173 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422331295 1194618392 /nfs/dbraw/zinc/61/83/92/1194618392.db2.gz XAAWZMQULQRSPV-QGZVFWFLSA-N 2 2 398.548 0.173 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000503316631 1194633849 /nfs/dbraw/zinc/63/38/49/1194633849.db2.gz WVUITHNACXIPEP-QGZVFWFLSA-N 2 2 391.516 0.808 20 0 GCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000422760032 1194695667 /nfs/dbraw/zinc/69/56/67/1194695667.db2.gz LKQDISHYGAFWGN-MJGOQNOKSA-N 2 2 377.485 0.781 20 0 GCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000422867406 1194704283 /nfs/dbraw/zinc/70/42/83/1194704283.db2.gz SCCIUXZNMQBDTN-VQIMIIECSA-N 2 2 397.541 0.705 20 0 GCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422940228 1194709770 /nfs/dbraw/zinc/70/97/70/1194709770.db2.gz SNWARHBUEZCYBC-QZTJIDSGSA-N 2 2 383.514 0.468 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423010040 1194716969 /nfs/dbraw/zinc/71/69/69/1194716969.db2.gz FQXONBUKQGFHKW-HXUWFJFHSA-N 2 2 399.539 0.145 20 0 GCADLP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH+](CCc2cccs2)CC1 ZINC000423117568 1194727876 /nfs/dbraw/zinc/72/78/76/1194727876.db2.gz WAGRLOQNMNZBOU-IYBDPMFKSA-N 2 2 376.526 0.788 20 0 GCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)cn1 ZINC000423286095 1194744850 /nfs/dbraw/zinc/74/48/50/1194744850.db2.gz ZOFSJOFTZMHJBV-UHFFFAOYSA-N 2 2 376.505 0.148 20 0 GCADLP CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)cn1 ZINC000423286095 1194744852 /nfs/dbraw/zinc/74/48/52/1194744852.db2.gz ZOFSJOFTZMHJBV-UHFFFAOYSA-N 2 2 376.505 0.148 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423301204 1194748194 /nfs/dbraw/zinc/74/81/94/1194748194.db2.gz STTCZGSOAFEJRZ-UYAOXDASSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423301204 1194748196 /nfs/dbraw/zinc/74/81/96/1194748196.db2.gz STTCZGSOAFEJRZ-UYAOXDASSA-N 2 2 399.539 0.225 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423497987 1194759769 /nfs/dbraw/zinc/75/97/69/1194759769.db2.gz AUWRMCGUFMPEKK-BPQIPLTHSA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423497987 1194759771 /nfs/dbraw/zinc/75/97/71/1194759771.db2.gz AUWRMCGUFMPEKK-BPQIPLTHSA-N 3 2 379.549 0.342 20 0 GCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517679 1194762192 /nfs/dbraw/zinc/76/21/92/1194762192.db2.gz OFQDXRKDUWVIHA-FUHWJXTLSA-N 3 2 397.589 0.471 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423527670 1194763269 /nfs/dbraw/zinc/76/32/69/1194763269.db2.gz MKODOAQPTODQIE-QRQLOZEOSA-N 3 2 393.576 0.732 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423527670 1194763270 /nfs/dbraw/zinc/76/32/70/1194763270.db2.gz MKODOAQPTODQIE-QRQLOZEOSA-N 3 2 393.576 0.732 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423720049 1194788378 /nfs/dbraw/zinc/78/83/78/1194788378.db2.gz CXZSRZSXRBXDIU-MOPGFXCFSA-N 2 2 394.560 0.936 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000423722729 1194789177 /nfs/dbraw/zinc/78/91/77/1194789177.db2.gz PWKGMYJTCCJAAK-LJQANCHMSA-N 2 2 393.576 0.604 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000423722729 1194789178 /nfs/dbraw/zinc/78/91/78/1194789178.db2.gz PWKGMYJTCCJAAK-LJQANCHMSA-N 2 2 393.576 0.604 20 0 GCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000423758310 1194792168 /nfs/dbraw/zinc/79/21/68/1194792168.db2.gz MZFVZXBNSRLNPG-IXDOHACOSA-N 2 2 388.516 0.786 20 0 GCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000423758310 1194792169 /nfs/dbraw/zinc/79/21/69/1194792169.db2.gz MZFVZXBNSRLNPG-IXDOHACOSA-N 2 2 388.516 0.786 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)C[C@H]2[NH3+])cn1 ZINC000424444632 1194811606 /nfs/dbraw/zinc/81/16/06/1194811606.db2.gz DANHRFFRPAYTLT-DLBZAZTESA-N 2 2 379.424 0.498 20 0 GCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC000424444861 1194811648 /nfs/dbraw/zinc/81/16/48/1194811648.db2.gz DXIQPLIGTQMCFN-UHFFFAOYSA-N 2 2 390.484 0.390 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)CC1 ZINC000513970536 1194843036 /nfs/dbraw/zinc/84/30/36/1194843036.db2.gz RXDSHDLHHYKONN-UHFFFAOYSA-N 2 2 379.549 0.171 20 0 GCADLP CC(C)[N@@H+]1CCc2nc(CN3CCO[C@@H](C[NH+](C)CC(N)=O)C3)sc2C1 ZINC000434644732 1194856687 /nfs/dbraw/zinc/85/66/87/1194856687.db2.gz WMQRPDVSULMXGZ-AWEZNQCLSA-N 2 2 381.546 0.528 20 0 GCADLP CC(C)[N@H+]1CCc2nc(CN3CCO[C@@H](C[NH+](C)CC(N)=O)C3)sc2C1 ZINC000434644732 1194856688 /nfs/dbraw/zinc/85/66/88/1194856688.db2.gz WMQRPDVSULMXGZ-AWEZNQCLSA-N 2 2 381.546 0.528 20 0 GCADLP CC(C)[NH+]1CCc2nc(CN3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)sc2C1 ZINC000434644732 1194856691 /nfs/dbraw/zinc/85/66/91/1194856691.db2.gz WMQRPDVSULMXGZ-AWEZNQCLSA-N 2 2 381.546 0.528 20 0 GCADLP CC(C)[NH+]1CCc2nc(CN3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)sc2C1 ZINC000434644732 1194856693 /nfs/dbraw/zinc/85/66/93/1194856693.db2.gz WMQRPDVSULMXGZ-AWEZNQCLSA-N 2 2 381.546 0.528 20 0 GCADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000435132074 1194891708 /nfs/dbraw/zinc/89/17/08/1194891708.db2.gz HDFQRZJQPMBFDG-IRXDYDNUSA-N 2 2 381.521 0.078 20 0 GCADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000435132074 1194891711 /nfs/dbraw/zinc/89/17/11/1194891711.db2.gz HDFQRZJQPMBFDG-IRXDYDNUSA-N 2 2 381.521 0.078 20 0 GCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000435132074 1194891713 /nfs/dbraw/zinc/89/17/13/1194891713.db2.gz HDFQRZJQPMBFDG-IRXDYDNUSA-N 2 2 381.521 0.078 20 0 GCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000435132074 1194891715 /nfs/dbraw/zinc/89/17/15/1194891715.db2.gz HDFQRZJQPMBFDG-IRXDYDNUSA-N 2 2 381.521 0.078 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000664475109 1194895734 /nfs/dbraw/zinc/89/57/34/1194895734.db2.gz MUXQLRROSWEWMG-QRVBRYPASA-N 2 2 380.533 0.870 20 0 GCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000435307677 1194915181 /nfs/dbraw/zinc/91/51/81/1194915181.db2.gz RFQVZNPCFGXULP-DLBZAZTESA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000435307677 1194915183 /nfs/dbraw/zinc/91/51/83/1194915183.db2.gz RFQVZNPCFGXULP-DLBZAZTESA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000435307677 1194915186 /nfs/dbraw/zinc/91/51/86/1194915186.db2.gz RFQVZNPCFGXULP-DLBZAZTESA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000435307677 1194915190 /nfs/dbraw/zinc/91/51/90/1194915190.db2.gz RFQVZNPCFGXULP-DLBZAZTESA-N 2 2 383.537 0.324 20 0 GCADLP CCn1ccnc1C[N@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433733 1194929552 /nfs/dbraw/zinc/92/95/52/1194929552.db2.gz PBIGULSNBDQVTP-MRXNPFEDSA-N 2 2 386.500 0.445 20 0 GCADLP CCn1ccnc1C[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433733 1194929556 /nfs/dbraw/zinc/92/95/56/1194929556.db2.gz PBIGULSNBDQVTP-MRXNPFEDSA-N 2 2 386.500 0.445 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515049811 1194941712 /nfs/dbraw/zinc/94/17/12/1194941712.db2.gz UBMJJXQQKZTDGL-IBGZPJMESA-N 2 2 387.528 0.525 20 0 GCADLP COc1ccccc1[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000435575815 1194945088 /nfs/dbraw/zinc/94/50/88/1194945088.db2.gz FANUEFLWSKWPEF-AEFFLSMTSA-N 2 2 394.516 0.632 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000435585816 1194946165 /nfs/dbraw/zinc/94/61/65/1194946165.db2.gz VBKANMJBGQYPLT-ZACQAIPSSA-N 2 2 386.537 0.209 20 0 GCADLP Cc1ccc([C@@H](CNC(=O)C(=O)NCC[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000285148127 1194977070 /nfs/dbraw/zinc/97/70/70/1194977070.db2.gz OWVWUBWIDPSAMM-QGZVFWFLSA-N 2 2 378.542 0.879 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000436058129 1194982958 /nfs/dbraw/zinc/98/29/58/1194982958.db2.gz KBWRXZPJCFHVGY-LJQANCHMSA-N 2 2 398.511 0.808 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000436058129 1194982959 /nfs/dbraw/zinc/98/29/59/1194982959.db2.gz KBWRXZPJCFHVGY-LJQANCHMSA-N 2 2 398.511 0.808 20 0 GCADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436060701 1194983024 /nfs/dbraw/zinc/98/30/24/1194983024.db2.gz FUJZBCXTQCLESZ-KRWDZBQOSA-N 2 2 389.500 0.646 20 0 GCADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436060701 1194983026 /nfs/dbraw/zinc/98/30/26/1194983026.db2.gz FUJZBCXTQCLESZ-KRWDZBQOSA-N 2 2 389.500 0.646 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000436063077 1194983530 /nfs/dbraw/zinc/98/35/30/1194983530.db2.gz SXPIDKNJCBIGJZ-CVEARBPZSA-N 2 2 390.484 0.262 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000436063077 1194983532 /nfs/dbraw/zinc/98/35/32/1194983532.db2.gz SXPIDKNJCBIGJZ-CVEARBPZSA-N 2 2 390.484 0.262 20 0 GCADLP c1cn([C@H]2CCC[NH+](CC3(C[N@@H+]4CCC[C@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503871 1194994028 /nfs/dbraw/zinc/99/40/28/1194994028.db2.gz JXPGWVWNLNNOCU-ROUUACIJSA-N 2 2 386.504 0.860 20 0 GCADLP c1cn([C@H]2CCC[NH+](CC3(C[N@H+]4CCC[C@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503871 1194994032 /nfs/dbraw/zinc/99/40/32/1194994032.db2.gz JXPGWVWNLNNOCU-ROUUACIJSA-N 2 2 386.504 0.860 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C)CO1 ZINC000664552977 1195002777 /nfs/dbraw/zinc/00/27/77/1195002777.db2.gz WONBSXQWKWVSNK-HZPDHXFCSA-N 2 2 379.505 0.930 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C)CO1 ZINC000664552977 1195002782 /nfs/dbraw/zinc/00/27/82/1195002782.db2.gz WONBSXQWKWVSNK-HZPDHXFCSA-N 2 2 379.505 0.930 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCO1 ZINC000288032402 1195047962 /nfs/dbraw/zinc/04/79/62/1195047962.db2.gz CYBYDICZOBDKSQ-OAHLLOKOSA-N 2 2 377.489 0.733 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCO1 ZINC000288032402 1195047965 /nfs/dbraw/zinc/04/79/65/1195047965.db2.gz CYBYDICZOBDKSQ-OAHLLOKOSA-N 2 2 377.489 0.733 20 0 GCADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)NCC[NH+]2CCC2)c1 ZINC000505949155 1195061559 /nfs/dbraw/zinc/06/15/59/1195061559.db2.gz DJISDYXNDNDLCY-UHFFFAOYSA-N 2 2 389.500 0.852 20 0 GCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1 ZINC000414898405 1195072414 /nfs/dbraw/zinc/07/24/14/1195072414.db2.gz AAJISOJPDNSKJZ-HNNXBMFYSA-N 2 2 390.484 0.830 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000516805636 1195097347 /nfs/dbraw/zinc/09/73/47/1195097347.db2.gz RIRVLQHWPDQQQL-INIZCTEOSA-N 2 2 396.532 0.320 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000516805636 1195097351 /nfs/dbraw/zinc/09/73/51/1195097351.db2.gz RIRVLQHWPDQQQL-INIZCTEOSA-N 2 2 396.532 0.320 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000437415215 1195108317 /nfs/dbraw/zinc/10/83/17/1195108317.db2.gz SYXYUADOEWIYNE-UHFFFAOYSA-N 2 2 393.463 0.348 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000437415215 1195108318 /nfs/dbraw/zinc/10/83/18/1195108318.db2.gz SYXYUADOEWIYNE-UHFFFAOYSA-N 2 2 393.463 0.348 20 0 GCADLP CC[NH+]1CCC(CNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000516880610 1195108865 /nfs/dbraw/zinc/10/88/65/1195108865.db2.gz XFIMZFWPRCGPGI-UHFFFAOYSA-N 2 2 386.504 0.927 20 0 GCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506050618 1195110668 /nfs/dbraw/zinc/11/06/68/1195110668.db2.gz DHPUVVSWIKSPMT-UHFFFAOYSA-N 2 2 382.549 0.842 20 0 GCADLP CC(C)Cn1nccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437469127 1195114689 /nfs/dbraw/zinc/11/46/89/1195114689.db2.gz GKZQAPOESXDOMA-UHFFFAOYSA-N 2 2 378.521 0.962 20 0 GCADLP CC(C)Cn1nccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437469127 1195114691 /nfs/dbraw/zinc/11/46/91/1195114691.db2.gz GKZQAPOESXDOMA-UHFFFAOYSA-N 2 2 378.521 0.962 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)c2)CC1 ZINC000425820307 1195122845 /nfs/dbraw/zinc/12/28/45/1195122845.db2.gz NRZIWJUGTBDGAR-AZUAARDMSA-N 2 2 399.539 0.925 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)c2)CC1 ZINC000425820307 1195122846 /nfs/dbraw/zinc/12/28/46/1195122846.db2.gz NRZIWJUGTBDGAR-AZUAARDMSA-N 2 2 399.539 0.925 20 0 GCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)C1CC1 ZINC000517025073 1195125987 /nfs/dbraw/zinc/12/59/87/1195125987.db2.gz QSPSUTOSZKDNPP-IBGZPJMESA-N 2 2 397.541 0.393 20 0 GCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)C1CC1 ZINC000517025073 1195125991 /nfs/dbraw/zinc/12/59/91/1195125991.db2.gz QSPSUTOSZKDNPP-IBGZPJMESA-N 2 2 397.541 0.393 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000517045087 1195129819 /nfs/dbraw/zinc/12/98/19/1195129819.db2.gz NXOHUULZCOHGBC-RTBURBONSA-N 2 2 395.592 0.755 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000517045087 1195129821 /nfs/dbraw/zinc/12/98/21/1195129821.db2.gz NXOHUULZCOHGBC-RTBURBONSA-N 2 2 395.592 0.755 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437772387 1195155321 /nfs/dbraw/zinc/15/53/21/1195155321.db2.gz HNUSWZVBGKOMDT-UHFFFAOYSA-N 2 2 375.477 1.274 20 0 GCADLP C[NH+]1CCN([C@@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407250 1195180092 /nfs/dbraw/zinc/18/00/92/1195180092.db2.gz SMZVJMAQSIXRTR-RBUKOAKNSA-N 2 2 387.528 0.431 20 0 GCADLP C[NH+]1CCN([C@@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407250 1195180093 /nfs/dbraw/zinc/18/00/93/1195180093.db2.gz SMZVJMAQSIXRTR-RBUKOAKNSA-N 2 2 387.528 0.431 20 0 GCADLP C[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C[NH+]1CCCCC1 ZINC000438363786 1195209630 /nfs/dbraw/zinc/20/96/30/1195209630.db2.gz HUPWJJLNJVDKQI-QGZVFWFLSA-N 2 2 378.521 1.459 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCOCC1 ZINC000550002748 1195216992 /nfs/dbraw/zinc/21/69/92/1195216992.db2.gz UQXUKEIVEOKFLB-QGZVFWFLSA-N 2 2 382.549 0.840 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000517974106 1195233296 /nfs/dbraw/zinc/23/32/96/1195233296.db2.gz VHJJIJSORNXZBJ-QGZVFWFLSA-N 2 2 385.512 0.278 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000517974106 1195233299 /nfs/dbraw/zinc/23/32/99/1195233299.db2.gz VHJJIJSORNXZBJ-QGZVFWFLSA-N 2 2 385.512 0.278 20 0 GCADLP CCOCCO[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517985774 1195236244 /nfs/dbraw/zinc/23/62/44/1195236244.db2.gz PRELZWCVSYDYRB-KRWDZBQOSA-N 2 2 398.548 0.125 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000518235628 1195271109 /nfs/dbraw/zinc/27/11/09/1195271109.db2.gz BDFIZZMXWWBIPA-OALUTQOASA-N 2 2 394.560 0.936 20 0 GCADLP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)ccc1O[C@H](C)C(=O)N(C)C ZINC000414973949 1195275022 /nfs/dbraw/zinc/27/50/22/1195275022.db2.gz JNMJGIIEZMWQTA-NVXWUHKLSA-N 2 2 378.517 0.934 20 0 GCADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)ccc1OCC(=O)N1CCCC1 ZINC000414980231 1195284884 /nfs/dbraw/zinc/28/48/84/1195284884.db2.gz VNONPKIYTUKWSF-KRWDZBQOSA-N 2 2 376.501 0.690 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385644 1195320207 /nfs/dbraw/zinc/32/02/07/1195320207.db2.gz PRKCHYDIJAVQPF-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385644 1195320211 /nfs/dbraw/zinc/32/02/11/1195320211.db2.gz PRKCHYDIJAVQPF-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385644 1195320214 /nfs/dbraw/zinc/32/02/14/1195320214.db2.gz PRKCHYDIJAVQPF-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385644 1195320218 /nfs/dbraw/zinc/32/02/18/1195320218.db2.gz PRKCHYDIJAVQPF-RLLQIKCJSA-N 2 2 390.528 0.889 20 0 GCADLP CC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)CO1 ZINC000653385638 1195351928 /nfs/dbraw/zinc/35/19/28/1195351928.db2.gz BMPHDUOFGTUEDI-YJBOKZPZSA-N 2 2 380.533 0.687 20 0 GCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000506760817 1195385548 /nfs/dbraw/zinc/38/55/48/1195385548.db2.gz LYYNGDUQUDLYLK-UHFFFAOYSA-N 2 2 397.564 0.539 20 0 GCADLP CCc1ccc([C@H](CNC(=O)C(=O)N2CC[NH+](CCOC)CC2)[NH+](C)C)cc1 ZINC000550027285 1195393670 /nfs/dbraw/zinc/39/36/70/1195393670.db2.gz DDHIWIXLKKXUDS-IBGZPJMESA-N 2 2 390.528 0.759 20 0 GCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000440264285 1195397217 /nfs/dbraw/zinc/39/72/17/1195397217.db2.gz DZBJCXXIJCJDKJ-CQSZACIVSA-N 2 2 375.473 0.678 20 0 GCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000440264285 1195397220 /nfs/dbraw/zinc/39/72/20/1195397220.db2.gz DZBJCXXIJCJDKJ-CQSZACIVSA-N 2 2 375.473 0.678 20 0 GCADLP Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000440288805 1195402739 /nfs/dbraw/zinc/40/27/39/1195402739.db2.gz ZKZAEDDXPIPFIL-OAHLLOKOSA-N 2 2 389.500 0.986 20 0 GCADLP Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000440288805 1195402741 /nfs/dbraw/zinc/40/27/41/1195402741.db2.gz ZKZAEDDXPIPFIL-OAHLLOKOSA-N 2 2 389.500 0.986 20 0 GCADLP Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000440288799 1195402765 /nfs/dbraw/zinc/40/27/65/1195402765.db2.gz ZKZAEDDXPIPFIL-HNNXBMFYSA-N 2 2 389.500 0.986 20 0 GCADLP Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000440288799 1195402768 /nfs/dbraw/zinc/40/27/68/1195402768.db2.gz ZKZAEDDXPIPFIL-HNNXBMFYSA-N 2 2 389.500 0.986 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000119591752 1195428081 /nfs/dbraw/zinc/42/80/81/1195428081.db2.gz OBNGDOHLOSCOCX-BLMTVLTRSA-N 2 2 391.560 0.308 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000119591752 1195428082 /nfs/dbraw/zinc/42/80/82/1195428082.db2.gz OBNGDOHLOSCOCX-BLMTVLTRSA-N 2 2 391.560 0.308 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000519546669 1195428741 /nfs/dbraw/zinc/42/87/41/1195428741.db2.gz ABALFBFYCGKFQS-INIZCTEOSA-N 2 2 377.489 0.473 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000519546669 1195428743 /nfs/dbraw/zinc/42/87/43/1195428743.db2.gz ABALFBFYCGKFQS-INIZCTEOSA-N 2 2 377.489 0.473 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000550096139 1195435611 /nfs/dbraw/zinc/43/56/11/1195435611.db2.gz VCDWZOFZLYGICB-IAGOWNOFSA-N 2 2 377.489 0.347 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000550096139 1195435612 /nfs/dbraw/zinc/43/56/12/1195435612.db2.gz VCDWZOFZLYGICB-IAGOWNOFSA-N 2 2 377.489 0.347 20 0 GCADLP CCNC(=O)[C@@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(C)C ZINC000550178980 1195454355 /nfs/dbraw/zinc/45/43/55/1195454355.db2.gz WXWNFQBFNKUKJU-SFHVURJKSA-N 2 2 382.549 0.888 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550204631 1195461643 /nfs/dbraw/zinc/46/16/43/1195461643.db2.gz TXEVWJVHIAUQDM-HOTGVXAUSA-N 2 2 398.548 0.217 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000550266684 1195472897 /nfs/dbraw/zinc/47/28/97/1195472897.db2.gz YVFWVYNCPSJBEU-AWEZNQCLSA-N 2 2 396.532 0.508 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000550266684 1195472898 /nfs/dbraw/zinc/47/28/98/1195472898.db2.gz YVFWVYNCPSJBEU-AWEZNQCLSA-N 2 2 396.532 0.508 20 0 GCADLP COCCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550267142 1195472979 /nfs/dbraw/zinc/47/29/79/1195472979.db2.gz NRNHUSADZDKPSZ-ZWKOTPCHSA-N 2 2 382.549 0.935 20 0 GCADLP COCCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550267142 1195472982 /nfs/dbraw/zinc/47/29/82/1195472982.db2.gz NRNHUSADZDKPSZ-ZWKOTPCHSA-N 2 2 382.549 0.935 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000550277181 1195475476 /nfs/dbraw/zinc/47/54/76/1195475476.db2.gz SAFXYDGHSPQORE-QGZVFWFLSA-N 2 2 382.549 0.839 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000519588445 1195489771 /nfs/dbraw/zinc/48/97/71/1195489771.db2.gz HVANAGQDODLGJX-RBUKOAKNSA-N 2 2 394.560 0.936 20 0 GCADLP Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(OCC[NH+](C)C)c1 ZINC000427018081 1195501481 /nfs/dbraw/zinc/50/14/81/1195501481.db2.gz WSOJLTGLSSIBCG-INIZCTEOSA-N 2 2 392.500 0.399 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000785402065 1195513782 /nfs/dbraw/zinc/51/37/82/1195513782.db2.gz ZVSHQXRPZOIVDU-LJQANCHMSA-N 2 2 399.495 0.962 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000785402065 1195513787 /nfs/dbraw/zinc/51/37/87/1195513787.db2.gz ZVSHQXRPZOIVDU-LJQANCHMSA-N 2 2 399.495 0.962 20 0 GCADLP CC(C)[NH+](CCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000507557159 1195531329 /nfs/dbraw/zinc/53/13/29/1195531329.db2.gz RPHWXOVZTBFNAG-GOSISDBHSA-N 2 2 382.549 0.744 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCOC4(CCC4)C3)CC2)CC1 ZINC000519782633 1195570899 /nfs/dbraw/zinc/57/08/99/1195570899.db2.gz RWZPDSUEGFDEPK-UHFFFAOYSA-N 2 2 378.517 0.443 20 0 GCADLP COC(=O)C[NH+]1CCC(Nc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)CC1 ZINC000894922132 1195635205 /nfs/dbraw/zinc/63/52/05/1195635205.db2.gz OXUSFZFACIKTJQ-UHFFFAOYSA-N 2 2 376.457 0.920 20 0 GCADLP Cc1cccc(C[NH+]2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)c1 ZINC000550346643 1195638156 /nfs/dbraw/zinc/63/81/56/1195638156.db2.gz LHWFNTWRFLGLGN-UHFFFAOYSA-N 2 2 385.516 0.571 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550355390 1195641893 /nfs/dbraw/zinc/64/18/93/1195641893.db2.gz FCIRITOLXSEXHD-RCCFBDPRSA-N 2 2 382.549 0.839 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550355389 1195641918 /nfs/dbraw/zinc/64/19/18/1195641918.db2.gz FCIRITOLXSEXHD-OKZBNKHCSA-N 2 2 382.549 0.839 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000550355737 1195642344 /nfs/dbraw/zinc/64/23/44/1195642344.db2.gz GYZJEQZDQKCCOB-SFHVURJKSA-N 2 2 393.532 0.903 20 0 GCADLP CN(CC[NH+]1CCCC1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000112747159 1195642609 /nfs/dbraw/zinc/64/26/09/1195642609.db2.gz BOUBPFDDLVVUON-UHFFFAOYSA-N 2 2 388.516 0.858 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000550380886 1195648534 /nfs/dbraw/zinc/64/85/34/1195648534.db2.gz CDMIIBSMKVZUBN-SFHVURJKSA-N 2 2 395.592 0.707 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000550380886 1195648537 /nfs/dbraw/zinc/64/85/37/1195648537.db2.gz CDMIIBSMKVZUBN-SFHVURJKSA-N 2 2 395.592 0.707 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000550380842 1195648772 /nfs/dbraw/zinc/64/87/72/1195648772.db2.gz BCISTMWMUYWCLI-RBUKOAKNSA-N 2 2 395.592 0.611 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000550374937 1195649909 /nfs/dbraw/zinc/64/99/09/1195649909.db2.gz BQLNXYPYJSVQHP-SFHVURJKSA-N 2 2 382.549 0.839 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1cccs1 ZINC000550385451 1195653610 /nfs/dbraw/zinc/65/36/10/1195653610.db2.gz HDHNTEITOJAPMQ-CQSZACIVSA-N 2 2 382.530 0.382 20 0 GCADLP CN(C(=O)C[C@@](C)(O)C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328794006 1195668442 /nfs/dbraw/zinc/66/84/42/1195668442.db2.gz SFWGHZWNRNFOSN-HXUWFJFHSA-N 2 2 380.533 0.234 20 0 GCADLP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)CC1 ZINC000328795479 1195668450 /nfs/dbraw/zinc/66/84/50/1195668450.db2.gz UCJXGMLKIHUQFX-OALUTQOASA-N 2 2 392.544 0.357 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@H]2CCCOCC2)CC3)CC1 ZINC000328841645 1195670272 /nfs/dbraw/zinc/67/02/72/1195670272.db2.gz OTTZMIVGUBCLBT-SJORKVTESA-N 2 2 375.517 0.992 20 0 GCADLP CC1CC[NH+](CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000520436030 1195675947 /nfs/dbraw/zinc/67/59/47/1195675947.db2.gz UFDKQIGQSDUIDW-MSOLQXFVSA-N 2 2 380.533 0.594 20 0 GCADLP CC(C)[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330680048 1195701191 /nfs/dbraw/zinc/70/11/91/1195701191.db2.gz LPINUWKDYBDMTI-JTDSTZFVSA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330680048 1195701192 /nfs/dbraw/zinc/70/11/92/1195701192.db2.gz LPINUWKDYBDMTI-JTDSTZFVSA-N 2 2 382.549 0.789 20 0 GCADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000194893420 1195828315 /nfs/dbraw/zinc/82/83/15/1195828315.db2.gz YIPYJXFJKUGWIJ-QGZVFWFLSA-N 2 2 388.516 0.761 20 0 GCADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000194893420 1195828317 /nfs/dbraw/zinc/82/83/17/1195828317.db2.gz YIPYJXFJKUGWIJ-QGZVFWFLSA-N 2 2 388.516 0.761 20 0 GCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000186141022 1195859218 /nfs/dbraw/zinc/85/92/18/1195859218.db2.gz JUIZSQVUXICCNV-OALUTQOASA-N 2 2 381.565 0.766 20 0 GCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000186141022 1195859224 /nfs/dbraw/zinc/85/92/24/1195859224.db2.gz JUIZSQVUXICCNV-OALUTQOASA-N 2 2 381.565 0.766 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3nc4ccccn4c3=O)CC2)CC1 ZINC000520792097 1195902303 /nfs/dbraw/zinc/90/23/03/1195902303.db2.gz HRSBLGUQXHSBFQ-UHFFFAOYSA-N 2 2 386.500 0.515 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3nc4ccccn4c3=O)CC2)CC1 ZINC000520792097 1195902305 /nfs/dbraw/zinc/90/23/05/1195902305.db2.gz HRSBLGUQXHSBFQ-UHFFFAOYSA-N 2 2 386.500 0.515 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428027784 1195905678 /nfs/dbraw/zinc/90/56/78/1195905678.db2.gz BVUVELKJXZHFEA-UKPHBRMFSA-N 2 2 380.514 0.065 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428027784 1195905679 /nfs/dbraw/zinc/90/56/79/1195905679.db2.gz BVUVELKJXZHFEA-UKPHBRMFSA-N 2 2 380.514 0.065 20 0 GCADLP CO[C@@](C)([C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643397882 1195941405 /nfs/dbraw/zinc/94/14/05/1195941405.db2.gz XVPAWQRVXLEXPI-IIMJZQEZSA-N 2 2 380.533 0.591 20 0 GCADLP CO[C@@](C)([C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643397882 1195941406 /nfs/dbraw/zinc/94/14/06/1195941406.db2.gz XVPAWQRVXLEXPI-IIMJZQEZSA-N 2 2 380.533 0.591 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727073193 1195941607 /nfs/dbraw/zinc/94/16/07/1195941607.db2.gz VYTAVXMOWCXNNK-UHFFFAOYSA-N 2 2 390.561 0.948 20 0 GCADLP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000520980531 1195949197 /nfs/dbraw/zinc/94/91/97/1195949197.db2.gz GZHRDSPXRAXAIU-HZPDHXFCSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000442167144 1195959423 /nfs/dbraw/zinc/95/94/23/1195959423.db2.gz XSQCHJABIWOGPX-QFBILLFUSA-N 2 2 387.528 0.971 20 0 GCADLP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@H+]1C ZINC000442167144 1195959424 /nfs/dbraw/zinc/95/94/24/1195959424.db2.gz XSQCHJABIWOGPX-QFBILLFUSA-N 2 2 387.528 0.971 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC000521233330 1195980952 /nfs/dbraw/zinc/98/09/52/1195980952.db2.gz FVBAYFLFUOSQRH-GOSISDBHSA-N 2 2 382.549 0.936 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC000521233330 1195980954 /nfs/dbraw/zinc/98/09/54/1195980954.db2.gz FVBAYFLFUOSQRH-GOSISDBHSA-N 2 2 382.549 0.936 20 0 GCADLP CC(C)[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000442366090 1195981292 /nfs/dbraw/zinc/98/12/92/1195981292.db2.gz AIHRBCHEQHAIOA-SFHVURJKSA-N 2 2 382.597 0.584 20 0 GCADLP CC(C)[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000442366090 1195981294 /nfs/dbraw/zinc/98/12/94/1195981294.db2.gz AIHRBCHEQHAIOA-SFHVURJKSA-N 2 2 382.597 0.584 20 0 GCADLP CCN1CC[NH+](CCCCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000518837448 1195991263 /nfs/dbraw/zinc/99/12/63/1195991263.db2.gz USXLNJLVMNWWAF-UHFFFAOYSA-N 2 2 396.580 0.256 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cc(=O)c(OC)co1 ZINC001087622272 1196053008 /nfs/dbraw/zinc/05/30/08/1196053008.db2.gz CKBBYGIBXLCEFT-NOVWEMISSA-N 2 2 393.484 0.837 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cc(=O)c(OC)co1 ZINC001087622272 1196053009 /nfs/dbraw/zinc/05/30/09/1196053009.db2.gz CKBBYGIBXLCEFT-NOVWEMISSA-N 2 2 393.484 0.837 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(=O)c(OC)co1 ZINC001087622272 1196053010 /nfs/dbraw/zinc/05/30/10/1196053010.db2.gz CKBBYGIBXLCEFT-NOVWEMISSA-N 2 2 393.484 0.837 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(=O)c(OC)co1 ZINC001087622272 1196053012 /nfs/dbraw/zinc/05/30/12/1196053012.db2.gz CKBBYGIBXLCEFT-NOVWEMISSA-N 2 2 393.484 0.837 20 0 GCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000522179902 1196053628 /nfs/dbraw/zinc/05/36/28/1196053628.db2.gz GSBRKUQCRXVEAL-IBGZPJMESA-N 2 2 387.528 0.964 20 0 GCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000522179902 1196053631 /nfs/dbraw/zinc/05/36/31/1196053631.db2.gz GSBRKUQCRXVEAL-IBGZPJMESA-N 2 2 387.528 0.964 20 0 GCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000522179902 1196053634 /nfs/dbraw/zinc/05/36/34/1196053634.db2.gz GSBRKUQCRXVEAL-IBGZPJMESA-N 2 2 387.528 0.964 20 0 GCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000522179902 1196053638 /nfs/dbraw/zinc/05/36/38/1196053638.db2.gz GSBRKUQCRXVEAL-IBGZPJMESA-N 2 2 387.528 0.964 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000550489929 1196055691 /nfs/dbraw/zinc/05/56/91/1196055691.db2.gz SNJRIBWRTVZCDC-GOSISDBHSA-N 2 2 382.549 0.842 20 0 GCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000522255625 1196066769 /nfs/dbraw/zinc/06/67/69/1196066769.db2.gz IRFPDVIDZAFOEY-NRFANRHFSA-N 2 2 388.512 0.294 20 0 GCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000522255625 1196066772 /nfs/dbraw/zinc/06/67/72/1196066772.db2.gz IRFPDVIDZAFOEY-NRFANRHFSA-N 2 2 388.512 0.294 20 0 GCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000522255625 1196066774 /nfs/dbraw/zinc/06/67/74/1196066774.db2.gz IRFPDVIDZAFOEY-NRFANRHFSA-N 2 2 388.512 0.294 20 0 GCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000522255625 1196066777 /nfs/dbraw/zinc/06/67/77/1196066777.db2.gz IRFPDVIDZAFOEY-NRFANRHFSA-N 2 2 388.512 0.294 20 0 GCADLP O=C(CCNC(=O)NCC[N@H+]1CC=CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000474252534 1196103705 /nfs/dbraw/zinc/10/37/05/1196103705.db2.gz YLBCPXVNWLITOK-UHFFFAOYSA-N 2 2 386.500 0.681 20 0 GCADLP O=C(CCNC(=O)NCC[N@@H+]1CC=CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000474252534 1196103708 /nfs/dbraw/zinc/10/37/08/1196103708.db2.gz YLBCPXVNWLITOK-UHFFFAOYSA-N 2 2 386.500 0.681 20 0 GCADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000895890052 1196116628 /nfs/dbraw/zinc/11/66/28/1196116628.db2.gz BUQZBMFEDHCNKZ-LJQANCHMSA-N 2 2 389.544 0.559 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC000896273913 1196139900 /nfs/dbraw/zinc/13/99/00/1196139900.db2.gz LYVGGWGNUHKJSK-IBGZPJMESA-N 2 2 392.544 0.500 20 0 GCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400900 1196147144 /nfs/dbraw/zinc/14/71/44/1196147144.db2.gz OPZMPTIMFFUAQA-MAUKXSAKSA-N 2 2 376.505 0.313 20 0 GCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400900 1196147146 /nfs/dbraw/zinc/14/71/46/1196147146.db2.gz OPZMPTIMFFUAQA-MAUKXSAKSA-N 2 2 376.505 0.313 20 0 GCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400900 1196147148 /nfs/dbraw/zinc/14/71/48/1196147148.db2.gz OPZMPTIMFFUAQA-MAUKXSAKSA-N 2 2 376.505 0.313 20 0 GCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400900 1196147151 /nfs/dbraw/zinc/14/71/51/1196147151.db2.gz OPZMPTIMFFUAQA-MAUKXSAKSA-N 2 2 376.505 0.313 20 0 GCADLP C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896553167 1196162614 /nfs/dbraw/zinc/16/26/14/1196162614.db2.gz RVMHLTJBHDVLRO-WBVHZDCISA-N 2 2 397.564 0.726 20 0 GCADLP C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896553167 1196162615 /nfs/dbraw/zinc/16/26/15/1196162615.db2.gz RVMHLTJBHDVLRO-WBVHZDCISA-N 2 2 397.564 0.726 20 0 GCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329122533 1196166163 /nfs/dbraw/zinc/16/61/63/1196166163.db2.gz WSEFOHYPKPFUIE-GOSISDBHSA-N 2 2 392.544 0.644 20 0 GCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329288599 1196182815 /nfs/dbraw/zinc/18/28/15/1196182815.db2.gz MUUAGCXURTYUKI-QZTJIDSGSA-N 2 2 378.517 0.254 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1=O ZINC000329352233 1196188224 /nfs/dbraw/zinc/18/82/24/1196188224.db2.gz DTMFFAUCDIOVTR-WJFTUGDTSA-N 2 2 392.544 0.641 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1=O ZINC000329352233 1196188227 /nfs/dbraw/zinc/18/82/27/1196188227.db2.gz DTMFFAUCDIOVTR-WJFTUGDTSA-N 2 2 392.544 0.641 20 0 GCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329469377 1196198813 /nfs/dbraw/zinc/19/88/13/1196198813.db2.gz XMJFXGZUTVPGJM-RBUKOAKNSA-N 2 2 392.544 0.644 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329775731 1196230672 /nfs/dbraw/zinc/23/06/72/1196230672.db2.gz NITQEHBNVJUEOF-KSZLIROESA-N 2 2 378.517 0.252 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329775731 1196230677 /nfs/dbraw/zinc/23/06/77/1196230677.db2.gz NITQEHBNVJUEOF-KSZLIROESA-N 2 2 378.517 0.252 20 0 GCADLP CC[C@@H]1CC[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000329824973 1196233046 /nfs/dbraw/zinc/23/30/46/1196233046.db2.gz QTAFZVWMXYKAKJ-MSOLQXFVSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)[C@@]1(C)CCC(=O)NC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329842541 1196233738 /nfs/dbraw/zinc/23/37/38/1196233738.db2.gz PBHFMZPWDKQDIV-FQEVSTJZSA-N 2 2 393.532 0.440 20 0 GCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329872964 1196235468 /nfs/dbraw/zinc/23/54/68/1196235468.db2.gz DLWCGKZZBIVUND-ROUUACIJSA-N 3 2 393.576 0.556 20 0 GCADLP CCn1ccnc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330148890 1196256366 /nfs/dbraw/zinc/25/63/66/1196256366.db2.gz UWAFEYZETNCYMC-UHFFFAOYSA-N 2 2 376.505 0.213 20 0 GCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000330239350 1196261065 /nfs/dbraw/zinc/26/10/65/1196261065.db2.gz VMWHLBHAVFTPJT-IBGZPJMESA-N 2 2 391.560 0.310 20 0 GCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C1CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000330239350 1196261068 /nfs/dbraw/zinc/26/10/68/1196261068.db2.gz VMWHLBHAVFTPJT-IBGZPJMESA-N 2 2 391.560 0.310 20 0 GCADLP CC[C@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330255461 1196262114 /nfs/dbraw/zinc/26/21/14/1196262114.db2.gz PRPRAIRHAXZHFT-RBUKOAKNSA-N 2 2 394.560 0.888 20 0 GCADLP CN(C(=O)CN1CCN(C)C(=O)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444234773 1196366653 /nfs/dbraw/zinc/36/66/53/1196366653.db2.gz FHDBNORYAOXXMJ-RTBURBONSA-N 2 2 393.576 0.556 20 0 GCADLP CN(C(=O)CN1CCN(C)C(=O)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444234773 1196366658 /nfs/dbraw/zinc/36/66/58/1196366658.db2.gz FHDBNORYAOXXMJ-RTBURBONSA-N 2 2 393.576 0.556 20 0 GCADLP C[NH+](C)C1(C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)C2([NH+](C)C)CC2)CC1 ZINC000614734188 1196401564 /nfs/dbraw/zinc/40/15/64/1196401564.db2.gz GAGQFTDCHFUVIZ-UHFFFAOYSA-N 3 2 393.576 0.606 20 0 GCADLP CN(C)C1(C(=O)N(CCNC(=O)C2([NH+](C)C)CC2)CC[NH+]2CCCCC2)CC1 ZINC000614734188 1196401573 /nfs/dbraw/zinc/40/15/73/1196401573.db2.gz GAGQFTDCHFUVIZ-UHFFFAOYSA-N 2 2 393.576 0.606 20 0 GCADLP CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000182675290 1196411849 /nfs/dbraw/zinc/41/18/49/1196411849.db2.gz AXHCFPFMWWGUKW-SJORKVTESA-N 2 2 378.521 0.377 20 0 GCADLP CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182675290 1196411852 /nfs/dbraw/zinc/41/18/52/1196411852.db2.gz AXHCFPFMWWGUKW-SJORKVTESA-N 2 2 378.521 0.377 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000508483099 1196445624 /nfs/dbraw/zinc/44/56/24/1196445624.db2.gz DWZVMQIXDCDZRJ-SQNIBIBYSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000508483099 1196445625 /nfs/dbraw/zinc/44/56/25/1196445625.db2.gz DWZVMQIXDCDZRJ-SQNIBIBYSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CN(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000508483099 1196445627 /nfs/dbraw/zinc/44/56/27/1196445627.db2.gz DWZVMQIXDCDZRJ-SQNIBIBYSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CN(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000508483099 1196445629 /nfs/dbraw/zinc/44/56/29/1196445629.db2.gz DWZVMQIXDCDZRJ-SQNIBIBYSA-N 2 2 398.548 0.027 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCOC[C@@H]3C3CCC3)CC2)CC1 ZINC000571679367 1196481883 /nfs/dbraw/zinc/48/18/83/1196481883.db2.gz GEEJFDKCSYZRJS-LJQANCHMSA-N 2 2 392.544 0.689 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000523483275 1196528257 /nfs/dbraw/zinc/52/82/57/1196528257.db2.gz BWAIEGGBHMMALK-MRXNPFEDSA-N 2 2 383.537 0.245 20 0 GCADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000897340507 1196576487 /nfs/dbraw/zinc/57/64/87/1196576487.db2.gz SCRISSFBOYWNCM-JKSUJKDBSA-N 2 2 392.500 0.633 20 0 GCADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000897340507 1196576488 /nfs/dbraw/zinc/57/64/88/1196576488.db2.gz SCRISSFBOYWNCM-JKSUJKDBSA-N 2 2 392.500 0.633 20 0 GCADLP Clc1cnc(NCC[N@@H+]2CCCOCC2)nc1NCC[NH+]1CCCOCC1 ZINC000445661213 1196585030 /nfs/dbraw/zinc/58/50/30/1196585030.db2.gz CEHVPXRJMFXQNB-UHFFFAOYSA-N 2 2 398.939 0.242 20 0 GCADLP Clc1cnc(NCC[N@H+]2CCCOCC2)nc1NCC[NH+]1CCCOCC1 ZINC000445661213 1196585035 /nfs/dbraw/zinc/58/50/35/1196585035.db2.gz CEHVPXRJMFXQNB-UHFFFAOYSA-N 2 2 398.939 0.242 20 0 GCADLP Clc1cnc(NCC[NH+]2CCCOCC2)nc1NCC[N@@H+]1CCCOCC1 ZINC000445661213 1196585044 /nfs/dbraw/zinc/58/50/44/1196585044.db2.gz CEHVPXRJMFXQNB-UHFFFAOYSA-N 2 2 398.939 0.242 20 0 GCADLP Clc1cnc(NCC[NH+]2CCCOCC2)nc1NCC[N@H+]1CCCOCC1 ZINC000445661213 1196585050 /nfs/dbraw/zinc/58/50/50/1196585050.db2.gz CEHVPXRJMFXQNB-UHFFFAOYSA-N 2 2 398.939 0.242 20 0 GCADLP Cn1cc(N2C(=O)C[C@H]([NH+]3CCC(OCC[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000524718934 1196619394 /nfs/dbraw/zinc/61/93/94/1196619394.db2.gz GYISYXBDVHXOGD-KRWDZBQOSA-N 2 2 375.473 0.629 20 0 GCADLP C[NH+](C)C1(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000446512338 1196646662 /nfs/dbraw/zinc/64/66/62/1196646662.db2.gz DTGDKNXJYZTDAX-UHFFFAOYSA-N 2 2 388.516 0.904 20 0 GCADLP C[NH+]1CCC(CCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446782346 1196672100 /nfs/dbraw/zinc/67/21/00/1196672100.db2.gz BRJGGPKIBPLTGF-UHFFFAOYSA-N 2 2 392.504 0.002 20 0 GCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528602141 1196869528 /nfs/dbraw/zinc/86/95/28/1196869528.db2.gz FZHQYGUXAVFWFH-VDGAXYAQSA-N 2 2 391.512 0.056 20 0 GCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000529301052 1196911831 /nfs/dbraw/zinc/91/18/31/1196911831.db2.gz SZWRRKOMQXEWRX-QGZVFWFLSA-N 2 2 378.473 0.185 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529290923 1196912126 /nfs/dbraw/zinc/91/21/26/1196912126.db2.gz GNFDFZZJSUFSPA-LJQANCHMSA-N 2 2 375.517 0.612 20 0 GCADLP C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)C[C@@H]21 ZINC000451630904 1197002236 /nfs/dbraw/zinc/00/22/36/1197002236.db2.gz MTHWBLPJENEHBX-UXHICEINSA-N 2 2 384.524 0.902 20 0 GCADLP C[N@H+]1CC[C@@H]2CN(CC(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)C[C@@H]21 ZINC000451630904 1197002241 /nfs/dbraw/zinc/00/22/41/1197002241.db2.gz MTHWBLPJENEHBX-UXHICEINSA-N 2 2 384.524 0.902 20 0 GCADLP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000530675348 1197007531 /nfs/dbraw/zinc/00/75/31/1197007531.db2.gz PCJTYGOIKVCRTQ-IBGZPJMESA-N 2 2 383.500 0.730 20 0 GCADLP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000530675348 1197007537 /nfs/dbraw/zinc/00/75/37/1197007537.db2.gz PCJTYGOIKVCRTQ-IBGZPJMESA-N 2 2 383.500 0.730 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000530724170 1197012337 /nfs/dbraw/zinc/01/23/37/1197012337.db2.gz HXSNGPDZMPVFEH-SFHVURJKSA-N 2 2 381.565 0.814 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000530724170 1197012342 /nfs/dbraw/zinc/01/23/42/1197012342.db2.gz HXSNGPDZMPVFEH-SFHVURJKSA-N 2 2 381.565 0.814 20 0 GCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530835461 1197020381 /nfs/dbraw/zinc/02/03/81/1197020381.db2.gz VKPDRMDWDVAHIJ-DYESRHJHSA-N 2 2 389.496 0.719 20 0 GCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530835461 1197020386 /nfs/dbraw/zinc/02/03/86/1197020386.db2.gz VKPDRMDWDVAHIJ-DYESRHJHSA-N 2 2 389.496 0.719 20 0 GCADLP CN(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451985113 1197029385 /nfs/dbraw/zinc/02/93/85/1197029385.db2.gz DQQNKZYRJSQKOR-QGZVFWFLSA-N 2 2 388.516 0.856 20 0 GCADLP CN(C)C(=O)N[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451985113 1197029389 /nfs/dbraw/zinc/02/93/89/1197029389.db2.gz DQQNKZYRJSQKOR-QGZVFWFLSA-N 2 2 388.516 0.856 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000532027690 1197107412 /nfs/dbraw/zinc/10/74/12/1197107412.db2.gz GFTNFBJKGCCESW-GBESFXJTSA-N 2 2 398.548 0.089 20 0 GCADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064036360 1197138329 /nfs/dbraw/zinc/13/83/29/1197138329.db2.gz AYLQSPWCRMWKNU-GOSISDBHSA-N 2 2 394.560 0.890 20 0 GCADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064036360 1197138332 /nfs/dbraw/zinc/13/83/32/1197138332.db2.gz AYLQSPWCRMWKNU-GOSISDBHSA-N 2 2 394.560 0.890 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000986326034 1197166262 /nfs/dbraw/zinc/16/62/62/1197166262.db2.gz VPOFTPZCKBTAII-YYIAUSFCSA-N 2 2 383.496 0.916 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000986326034 1197166264 /nfs/dbraw/zinc/16/62/64/1197166264.db2.gz VPOFTPZCKBTAII-YYIAUSFCSA-N 2 2 383.496 0.916 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)O1 ZINC000986437958 1197171567 /nfs/dbraw/zinc/17/15/67/1197171567.db2.gz PPETVBRKFSFTJN-ZJPYXAASSA-N 2 2 389.500 0.299 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)O1 ZINC000986437958 1197171570 /nfs/dbraw/zinc/17/15/70/1197171570.db2.gz PPETVBRKFSFTJN-ZJPYXAASSA-N 2 2 389.500 0.299 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]cn4C)C[C@@H]3C2)CC[N@@H+]1C ZINC000986504316 1197175907 /nfs/dbraw/zinc/17/59/07/1197175907.db2.gz FNDZUVUTMQERBN-VXIBKDFQSA-N 2 2 387.528 1.000 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]cn4C)C[C@@H]3C2)CC[N@H+]1C ZINC000986504316 1197175911 /nfs/dbraw/zinc/17/59/11/1197175911.db2.gz FNDZUVUTMQERBN-VXIBKDFQSA-N 2 2 387.528 1.000 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)CC2)CC1 ZINC000176048461 1197186415 /nfs/dbraw/zinc/18/64/15/1197186415.db2.gz IOROEGINPQSTCT-GOSISDBHSA-N 3 2 393.576 0.909 20 0 GCADLP CN1CC[NH+](CC2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)CC1 ZINC000192143426 1197245205 /nfs/dbraw/zinc/24/52/05/1197245205.db2.gz QPAYRLIRJBTVPS-UHFFFAOYSA-N 2 2 381.565 0.766 20 0 GCADLP CN1CC[NH+](CC2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)CC1 ZINC000192171923 1197245998 /nfs/dbraw/zinc/24/59/98/1197245998.db2.gz YFGUXVGRDRMLJD-UHFFFAOYSA-N 2 2 381.565 0.766 20 0 GCADLP CN1CC[NH+](CC2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)CC1 ZINC000192171923 1197245999 /nfs/dbraw/zinc/24/59/99/1197245999.db2.gz YFGUXVGRDRMLJD-UHFFFAOYSA-N 2 2 381.565 0.766 20 0 GCADLP C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000170956747 1197308384 /nfs/dbraw/zinc/30/83/84/1197308384.db2.gz BZHUPIXMTUNWQV-GOEBONIOSA-N 2 2 387.488 0.247 20 0 GCADLP C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000170956743 1197308474 /nfs/dbraw/zinc/30/84/74/1197308474.db2.gz BZHUPIXMTUNWQV-ZBFHGGJFSA-N 2 2 387.488 0.247 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000105316851 1197326685 /nfs/dbraw/zinc/32/66/85/1197326685.db2.gz ORHSJYTUIIYHNT-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000105316851 1197326690 /nfs/dbraw/zinc/32/66/90/1197326690.db2.gz ORHSJYTUIIYHNT-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000112212915 1197333908 /nfs/dbraw/zinc/33/39/08/1197333908.db2.gz VDKZETCYTNDRMZ-SFHVURJKSA-N 2 2 381.565 0.766 20 0 GCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332817585 1197344216 /nfs/dbraw/zinc/34/42/16/1197344216.db2.gz OGZMTQAWUXVYEA-ZHALLVOQSA-N 2 2 380.533 0.992 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000126297076 1197356975 /nfs/dbraw/zinc/35/69/75/1197356975.db2.gz UUBOWSILGTXWGD-HOTGVXAUSA-N 2 2 394.541 0.648 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)CC1 ZINC000050803115 1197381226 /nfs/dbraw/zinc/38/12/26/1197381226.db2.gz FMTGKRLNOJZVAE-QZTJIDSGSA-N 2 2 390.528 0.836 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000136966335 1197391129 /nfs/dbraw/zinc/39/11/29/1197391129.db2.gz LWZWMFZTJNWOAQ-QGZVFWFLSA-N 2 2 388.516 0.710 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000136966335 1197391134 /nfs/dbraw/zinc/39/11/34/1197391134.db2.gz LWZWMFZTJNWOAQ-QGZVFWFLSA-N 2 2 388.516 0.710 20 0 GCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000137139380 1197391716 /nfs/dbraw/zinc/39/17/16/1197391716.db2.gz BNIBGCBKOTYFFJ-ROUUACIJSA-N 2 2 387.532 0.724 20 0 GCADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000137139380 1197391719 /nfs/dbraw/zinc/39/17/19/1197391719.db2.gz BNIBGCBKOTYFFJ-ROUUACIJSA-N 2 2 387.532 0.724 20 0 GCADLP CC(C)(C)OCCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000897483902 1197393303 /nfs/dbraw/zinc/39/33/03/1197393303.db2.gz GYLYFJFGKFBGRM-QGZVFWFLSA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)(C)OCCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000897483902 1197393304 /nfs/dbraw/zinc/39/33/04/1197393304.db2.gz GYLYFJFGKFBGRM-QGZVFWFLSA-N 2 2 394.560 0.936 20 0 GCADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684257 1197397305 /nfs/dbraw/zinc/39/73/05/1197397305.db2.gz NEBMZJOZGQIPPN-CABCVRRESA-N 2 2 379.457 0.521 20 0 GCADLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684257 1197397308 /nfs/dbraw/zinc/39/73/08/1197397308.db2.gz NEBMZJOZGQIPPN-CABCVRRESA-N 2 2 379.457 0.521 20 0 GCADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000195259577 1197400672 /nfs/dbraw/zinc/40/06/72/1197400672.db2.gz NIYSSFCVSKBUHC-KRWDZBQOSA-N 2 2 378.517 0.158 20 0 GCADLP O=C(CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000238034126 1197401931 /nfs/dbraw/zinc/40/19/31/1197401931.db2.gz VBYFCMUXOLDAFJ-LJQANCHMSA-N 2 2 393.491 0.951 20 0 GCADLP COC(C)(C)C[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533023550 1197426864 /nfs/dbraw/zinc/42/68/64/1197426864.db2.gz NLDBOPCKGCZDTG-UHFFFAOYSA-N 2 2 375.477 0.369 20 0 GCADLP COC(C)(C)C[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533023550 1197426866 /nfs/dbraw/zinc/42/68/66/1197426866.db2.gz NLDBOPCKGCZDTG-UHFFFAOYSA-N 2 2 375.477 0.369 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245909477 1197438153 /nfs/dbraw/zinc/43/81/53/1197438153.db2.gz RDGNJZAOXICASG-BHIYHBOVSA-N 2 2 376.501 0.642 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245909477 1197438154 /nfs/dbraw/zinc/43/81/54/1197438154.db2.gz RDGNJZAOXICASG-BHIYHBOVSA-N 2 2 376.501 0.642 20 0 GCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000245932634 1197439893 /nfs/dbraw/zinc/43/98/93/1197439893.db2.gz QOJFPBPLVAZJDO-QZTJIDSGSA-N 2 2 380.533 0.500 20 0 GCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000245932634 1197439895 /nfs/dbraw/zinc/43/98/95/1197439895.db2.gz QOJFPBPLVAZJDO-QZTJIDSGSA-N 2 2 380.533 0.500 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000246012470 1197442965 /nfs/dbraw/zinc/44/29/65/1197442965.db2.gz TZYJVWIFCAJJDG-DOTOQJQBSA-N 2 2 386.562 0.621 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000246012470 1197442967 /nfs/dbraw/zinc/44/29/67/1197442967.db2.gz TZYJVWIFCAJJDG-DOTOQJQBSA-N 2 2 386.562 0.621 20 0 GCADLP CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000533649047 1197464712 /nfs/dbraw/zinc/46/47/12/1197464712.db2.gz PAHFOWNCVDOSAI-KSZLIROESA-N 2 2 395.548 0.162 20 0 GCADLP CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000533649047 1197464714 /nfs/dbraw/zinc/46/47/14/1197464714.db2.gz PAHFOWNCVDOSAI-KSZLIROESA-N 2 2 395.548 0.162 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000066986337 1197467988 /nfs/dbraw/zinc/46/79/88/1197467988.db2.gz XISBSVORQQQKTB-UHFFFAOYSA-N 2 2 376.505 0.355 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000069859298 1197469005 /nfs/dbraw/zinc/46/90/05/1197469005.db2.gz IUIGXCNSSUHEOU-WOJBJXKFSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000069859298 1197469007 /nfs/dbraw/zinc/46/90/07/1197469007.db2.gz IUIGXCNSSUHEOU-WOJBJXKFSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000069859298 1197469009 /nfs/dbraw/zinc/46/90/09/1197469009.db2.gz IUIGXCNSSUHEOU-WOJBJXKFSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000069859298 1197469012 /nfs/dbraw/zinc/46/90/12/1197469012.db2.gz IUIGXCNSSUHEOU-WOJBJXKFSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000069859298 1197469016 /nfs/dbraw/zinc/46/90/16/1197469016.db2.gz IUIGXCNSSUHEOU-WOJBJXKFSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000069859298 1197469018 /nfs/dbraw/zinc/46/90/18/1197469018.db2.gz IUIGXCNSSUHEOU-WOJBJXKFSA-N 2 2 396.576 0.504 20 0 GCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000074175446 1197471625 /nfs/dbraw/zinc/47/16/25/1197471625.db2.gz HKAPQWSCQIVVAR-IBGZPJMESA-N 2 2 376.501 0.972 20 0 GCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000074175446 1197471628 /nfs/dbraw/zinc/47/16/28/1197471628.db2.gz HKAPQWSCQIVVAR-IBGZPJMESA-N 2 2 376.501 0.972 20 0 GCADLP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000074655933 1197472230 /nfs/dbraw/zinc/47/22/30/1197472230.db2.gz GDFGAWLUJASSIE-SFHVURJKSA-N 2 2 381.565 0.624 20 0 GCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261657646 1197510570 /nfs/dbraw/zinc/51/05/70/1197510570.db2.gz AQWOKVUCYNHKRM-QGZVFWFLSA-N 2 2 383.500 0.500 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CC[NH2+]C[C@@H]3C)CC2)cc1OC ZINC000261754484 1197513714 /nfs/dbraw/zinc/51/37/14/1197513714.db2.gz KOBRRCAGFQGMBC-KRWDZBQOSA-N 2 2 390.528 0.950 20 0 GCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000261763971 1197514330 /nfs/dbraw/zinc/51/43/30/1197514330.db2.gz QPBUGVUSLPARQM-LJQANCHMSA-N 2 2 382.512 0.711 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000428653455 1197568738 /nfs/dbraw/zinc/56/87/38/1197568738.db2.gz WKDIJJLQTXNQLT-UHFFFAOYSA-N 2 2 387.532 0.772 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009475 1199001825 /nfs/dbraw/zinc/00/18/25/1199001825.db2.gz IDOUWYAVLRHBQL-RDJZCZTQSA-N 3 2 379.549 0.118 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009475 1199001833 /nfs/dbraw/zinc/00/18/33/1199001833.db2.gz IDOUWYAVLRHBQL-RDJZCZTQSA-N 3 2 379.549 0.118 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000672014360 1199004468 /nfs/dbraw/zinc/00/44/68/1199004468.db2.gz SMLRQGBVICTZEV-JZXOWHBKSA-N 2 2 380.533 0.402 20 0 GCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)o1 ZINC001083795166 1199008786 /nfs/dbraw/zinc/00/87/86/1199008786.db2.gz KPEAIVUXZXVNAQ-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)o1 ZINC001083795166 1199008789 /nfs/dbraw/zinc/00/87/89/1199008789.db2.gz KPEAIVUXZXVNAQ-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)o1 ZINC001083795166 1199008793 /nfs/dbraw/zinc/00/87/93/1199008793.db2.gz KPEAIVUXZXVNAQ-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)o1 ZINC001083795166 1199008799 /nfs/dbraw/zinc/00/87/99/1199008799.db2.gz KPEAIVUXZXVNAQ-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1ccc([C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000465803738 1199071410 /nfs/dbraw/zinc/07/14/10/1199071410.db2.gz DFVYOWACUOACPP-UYAOXDASSA-N 2 2 378.517 0.980 20 0 GCADLP c1nc2n(c1C[NH2+][C@H]1CCCN(c3cc(N4CCOCC4)[nH+]cn3)C1)CCOC2 ZINC000921734430 1199074658 /nfs/dbraw/zinc/07/46/58/1199074658.db2.gz GOGZEGXJURDWRF-INIZCTEOSA-N 2 2 399.499 0.799 20 0 GCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000627301735 1199112960 /nfs/dbraw/zinc/11/29/60/1199112960.db2.gz MVUCUVFVGKTNDB-LJQANCHMSA-N 2 2 388.512 0.591 20 0 GCADLP Cn1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(-c2cccnc2)n1 ZINC000172697208 1199142596 /nfs/dbraw/zinc/14/25/96/1199142596.db2.gz JMSVCEHZTKELRI-GOSISDBHSA-N 2 2 384.484 0.505 20 0 GCADLP CN(C(=O)C(=O)NCCCc1cnn(C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672188050 1199155907 /nfs/dbraw/zinc/15/59/07/1199155907.db2.gz WXRWKGODUIRQES-SFHVURJKSA-N 2 2 390.532 0.096 20 0 GCADLP CN(C(=O)C(=O)NCCCc1cnn(C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672188050 1199155909 /nfs/dbraw/zinc/15/59/09/1199155909.db2.gz WXRWKGODUIRQES-SFHVURJKSA-N 2 2 390.532 0.096 20 0 GCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000627315209 1199199144 /nfs/dbraw/zinc/19/91/44/1199199144.db2.gz ZJHPOLBPDGDGEO-QGZVFWFLSA-N 2 2 388.516 0.635 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672310084 1199200745 /nfs/dbraw/zinc/20/07/45/1199200745.db2.gz GEDMXJAATHFFHW-FGTMMUONSA-N 2 2 378.517 0.347 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672310084 1199200749 /nfs/dbraw/zinc/20/07/49/1199200749.db2.gz GEDMXJAATHFFHW-FGTMMUONSA-N 2 2 378.517 0.347 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000672311224 1199201693 /nfs/dbraw/zinc/20/16/93/1199201693.db2.gz BLEKJPXMYAZELV-HXUWFJFHSA-N 2 2 384.524 0.974 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794760 1199218259 /nfs/dbraw/zinc/21/82/59/1199218259.db2.gz AOBBEGZEHYLYLC-APWZRJJASA-N 2 2 395.507 0.918 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794760 1199218269 /nfs/dbraw/zinc/21/82/69/1199218269.db2.gz AOBBEGZEHYLYLC-APWZRJJASA-N 2 2 395.507 0.918 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794760 1199218272 /nfs/dbraw/zinc/21/82/72/1199218272.db2.gz AOBBEGZEHYLYLC-APWZRJJASA-N 2 2 395.507 0.918 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794738 1199218498 /nfs/dbraw/zinc/21/84/98/1199218498.db2.gz AOBBEGZEHYLYLC-QFBILLFUSA-N 2 2 395.507 0.918 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794738 1199218509 /nfs/dbraw/zinc/21/85/09/1199218509.db2.gz AOBBEGZEHYLYLC-QFBILLFUSA-N 2 2 395.507 0.918 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794738 1199218512 /nfs/dbraw/zinc/21/85/12/1199218512.db2.gz AOBBEGZEHYLYLC-QFBILLFUSA-N 2 2 395.507 0.918 20 0 GCADLP Cc1ccc(N2CCC(NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)[nH+]c1 ZINC000465955540 1199225287 /nfs/dbraw/zinc/22/52/87/1199225287.db2.gz NKIQVPXNNWWYSM-QGZVFWFLSA-N 2 2 388.516 0.998 20 0 GCADLP Cc1ccc(N2CCC(NC(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)[nH+]c1 ZINC000465955540 1199225288 /nfs/dbraw/zinc/22/52/88/1199225288.db2.gz NKIQVPXNNWWYSM-QGZVFWFLSA-N 2 2 388.516 0.998 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)c3ccncc3)C2)CC1 ZINC000672562696 1199269757 /nfs/dbraw/zinc/26/97/57/1199269757.db2.gz YFHNYUXAXJRMLW-QGZVFWFLSA-N 2 2 387.528 0.760 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)c3ccncc3)C2)CC1 ZINC000672562696 1199269760 /nfs/dbraw/zinc/26/97/60/1199269760.db2.gz YFHNYUXAXJRMLW-QGZVFWFLSA-N 2 2 387.528 0.760 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672593337 1199275994 /nfs/dbraw/zinc/27/59/94/1199275994.db2.gz OLTOPHNUNIJRCC-SOLBZPMBSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672593337 1199275997 /nfs/dbraw/zinc/27/59/97/1199275997.db2.gz OLTOPHNUNIJRCC-SOLBZPMBSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000672593337 1199276001 /nfs/dbraw/zinc/27/60/01/1199276001.db2.gz OLTOPHNUNIJRCC-SOLBZPMBSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000672593337 1199276003 /nfs/dbraw/zinc/27/60/03/1199276003.db2.gz OLTOPHNUNIJRCC-SOLBZPMBSA-N 3 2 379.549 0.212 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672598516 1199279292 /nfs/dbraw/zinc/27/92/92/1199279292.db2.gz ZYAIAGRNUVNRCS-KURKYZTESA-N 2 2 380.533 0.737 20 0 GCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672598724 1199280212 /nfs/dbraw/zinc/28/02/12/1199280212.db2.gz DJMPXACETJYDNB-QRVBRYPASA-N 2 2 392.544 0.833 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@]3(C)CCCO)C2)CC1 ZINC000672637518 1199287922 /nfs/dbraw/zinc/28/79/22/1199287922.db2.gz IWQQBQCSKBVFOE-UZLBHIALSA-N 2 2 380.533 0.425 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@]3(C)CCCO)C2)CC1 ZINC000672637518 1199287928 /nfs/dbraw/zinc/28/79/28/1199287928.db2.gz IWQQBQCSKBVFOE-UZLBHIALSA-N 2 2 380.533 0.425 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638396 1199288347 /nfs/dbraw/zinc/28/83/47/1199288347.db2.gz GOBFMRUIUUBESA-MJGOQNOKSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638396 1199288350 /nfs/dbraw/zinc/28/83/50/1199288350.db2.gz GOBFMRUIUUBESA-MJGOQNOKSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccc(O)cc4C3)C2)CC1 ZINC000672637260 1199288533 /nfs/dbraw/zinc/28/85/33/1199288533.db2.gz CIQIBMMQOOZCPO-QGZVFWFLSA-N 2 2 386.496 0.562 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccc(O)cc4C3)C2)CC1 ZINC000672637260 1199288536 /nfs/dbraw/zinc/28/85/36/1199288536.db2.gz CIQIBMMQOOZCPO-QGZVFWFLSA-N 2 2 386.496 0.562 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)C2)CC1 ZINC000672638557 1199289714 /nfs/dbraw/zinc/28/97/14/1199289714.db2.gz VCALUKXTTWGTNW-DZJNRPSUSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)C2)CC1 ZINC000672638557 1199289718 /nfs/dbraw/zinc/28/97/18/1199289718.db2.gz VCALUKXTTWGTNW-DZJNRPSUSA-N 2 2 378.517 0.345 20 0 GCADLP CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637769 1199290699 /nfs/dbraw/zinc/29/06/99/1199290699.db2.gz AOLXNVRTNBSULJ-ZHALLVOQSA-N 2 2 394.560 0.981 20 0 GCADLP CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637769 1199290702 /nfs/dbraw/zinc/29/07/02/1199290702.db2.gz AOLXNVRTNBSULJ-ZHALLVOQSA-N 2 2 394.560 0.981 20 0 GCADLP CCc1cnc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637901 1199291043 /nfs/dbraw/zinc/29/10/43/1199291043.db2.gz PKSQDGWIVIKUDD-CQSZACIVSA-N 2 2 393.557 0.949 20 0 GCADLP CCc1cnc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637901 1199291047 /nfs/dbraw/zinc/29/10/47/1199291047.db2.gz PKSQDGWIVIKUDD-CQSZACIVSA-N 2 2 393.557 0.949 20 0 GCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638152 1199291103 /nfs/dbraw/zinc/29/11/03/1199291103.db2.gz NBOWRNKHVOXNML-QRQLOZEOSA-N 3 2 391.560 0.356 20 0 GCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638152 1199291106 /nfs/dbraw/zinc/29/11/06/1199291106.db2.gz NBOWRNKHVOXNML-QRQLOZEOSA-N 3 2 391.560 0.356 20 0 GCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638152 1199291109 /nfs/dbraw/zinc/29/11/09/1199291109.db2.gz NBOWRNKHVOXNML-QRQLOZEOSA-N 3 2 391.560 0.356 20 0 GCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638152 1199291114 /nfs/dbraw/zinc/29/11/14/1199291114.db2.gz NBOWRNKHVOXNML-QRQLOZEOSA-N 3 2 391.560 0.356 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccco3)C2)CC1 ZINC000672637892 1199291272 /nfs/dbraw/zinc/29/12/72/1199291272.db2.gz AGXIGRUOPKHDPA-RDJZCZTQSA-N 2 2 390.484 0.464 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccco3)C2)CC1 ZINC000672637892 1199291276 /nfs/dbraw/zinc/29/12/76/1199291276.db2.gz AGXIGRUOPKHDPA-RDJZCZTQSA-N 2 2 390.484 0.464 20 0 GCADLP C[C@@H](CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672637750 1199291750 /nfs/dbraw/zinc/29/17/50/1199291750.db2.gz OBNFIPRCZLOVDU-GJZGRUSLSA-N 2 2 393.557 0.990 20 0 GCADLP C[C@@H](CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672637750 1199291760 /nfs/dbraw/zinc/29/17/60/1199291760.db2.gz OBNFIPRCZLOVDU-GJZGRUSLSA-N 2 2 393.557 0.990 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639404 1199291835 /nfs/dbraw/zinc/29/18/35/1199291835.db2.gz BZTOXRNUJCDBCZ-IAGOWNOFSA-N 3 2 379.549 0.262 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639404 1199291838 /nfs/dbraw/zinc/29/18/38/1199291838.db2.gz BZTOXRNUJCDBCZ-IAGOWNOFSA-N 3 2 379.549 0.262 20 0 GCADLP CCc1cnc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637900 1199292391 /nfs/dbraw/zinc/29/23/91/1199292391.db2.gz PKSQDGWIVIKUDD-AWEZNQCLSA-N 2 2 393.557 0.949 20 0 GCADLP CCc1cnc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637900 1199292400 /nfs/dbraw/zinc/29/24/00/1199292400.db2.gz PKSQDGWIVIKUDD-AWEZNQCLSA-N 2 2 393.557 0.949 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(C[C@@H]3CCOC3)C3CC3)C2)CC1 ZINC000672638868 1199292909 /nfs/dbraw/zinc/29/29/09/1199292909.db2.gz ZPFMXNRJIJBYEY-HOTGVXAUSA-N 2 2 378.517 0.299 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(C[C@@H]3CCOC3)C3CC3)C2)CC1 ZINC000672638868 1199292911 /nfs/dbraw/zinc/29/29/11/1199292911.db2.gz ZPFMXNRJIJBYEY-HOTGVXAUSA-N 2 2 378.517 0.299 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000672640130 1199296909 /nfs/dbraw/zinc/29/69/09/1199296909.db2.gz RNKNGWOMORAGQI-JKSUJKDBSA-N 2 2 378.517 0.489 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000672640130 1199296914 /nfs/dbraw/zinc/29/69/14/1199296914.db2.gz RNKNGWOMORAGQI-JKSUJKDBSA-N 2 2 378.517 0.489 20 0 GCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640965 1199298636 /nfs/dbraw/zinc/29/86/36/1199298636.db2.gz HSVQAMYJFVJVAC-MSOLQXFVSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640965 1199298639 /nfs/dbraw/zinc/29/86/39/1199298639.db2.gz HSVQAMYJFVJVAC-MSOLQXFVSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640965 1199298642 /nfs/dbraw/zinc/29/86/42/1199298642.db2.gz HSVQAMYJFVJVAC-MSOLQXFVSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640965 1199298647 /nfs/dbraw/zinc/29/86/47/1199298647.db2.gz HSVQAMYJFVJVAC-MSOLQXFVSA-N 3 2 393.576 0.604 20 0 GCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672641333 1199298986 /nfs/dbraw/zinc/29/89/86/1199298986.db2.gz PIXADJBOJKCJDM-QGZVFWFLSA-N 2 2 388.512 0.938 20 0 GCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672641333 1199298989 /nfs/dbraw/zinc/29/89/89/1199298989.db2.gz PIXADJBOJKCJDM-QGZVFWFLSA-N 2 2 388.512 0.938 20 0 GCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642105 1199299920 /nfs/dbraw/zinc/29/99/20/1199299920.db2.gz XVNAIZMBVMSVTD-GOSISDBHSA-N 3 2 395.592 0.852 20 0 GCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642105 1199299926 /nfs/dbraw/zinc/29/99/26/1199299926.db2.gz XVNAIZMBVMSVTD-GOSISDBHSA-N 3 2 395.592 0.852 20 0 GCADLP CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672642559 1199301383 /nfs/dbraw/zinc/30/13/83/1199301383.db2.gz NPSCLMLQLDJIAG-KBAYOESNSA-N 2 2 394.560 0.979 20 0 GCADLP CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672642559 1199301390 /nfs/dbraw/zinc/30/13/90/1199301390.db2.gz NPSCLMLQLDJIAG-KBAYOESNSA-N 2 2 394.560 0.979 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000672643413 1199302066 /nfs/dbraw/zinc/30/20/66/1199302066.db2.gz XNMZHIMLSGHCLQ-DZJNRPSUSA-N 2 2 392.544 0.591 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000672643413 1199302069 /nfs/dbraw/zinc/30/20/69/1199302069.db2.gz XNMZHIMLSGHCLQ-DZJNRPSUSA-N 2 2 392.544 0.591 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672643115 1199302883 /nfs/dbraw/zinc/30/28/83/1199302883.db2.gz QSOFNOYUHOXLNP-ZIAGYGMSSA-N 2 2 379.530 0.648 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672643115 1199302885 /nfs/dbraw/zinc/30/28/85/1199302885.db2.gz QSOFNOYUHOXLNP-ZIAGYGMSSA-N 2 2 379.530 0.648 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643396 1199303075 /nfs/dbraw/zinc/30/30/75/1199303075.db2.gz XAWGBVBPZDDKNR-FUHWJXTLSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643396 1199303082 /nfs/dbraw/zinc/30/30/82/1199303082.db2.gz XAWGBVBPZDDKNR-FUHWJXTLSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643396 1199303091 /nfs/dbraw/zinc/30/30/91/1199303091.db2.gz XAWGBVBPZDDKNR-FUHWJXTLSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643396 1199303098 /nfs/dbraw/zinc/30/30/98/1199303098.db2.gz XAWGBVBPZDDKNR-FUHWJXTLSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672643112 1199303232 /nfs/dbraw/zinc/30/32/32/1199303232.db2.gz QSOFNOYUHOXLNP-KBPBESRZSA-N 2 2 379.530 0.648 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672643112 1199303238 /nfs/dbraw/zinc/30/32/38/1199303238.db2.gz QSOFNOYUHOXLNP-KBPBESRZSA-N 2 2 379.530 0.648 20 0 GCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641629 1199303732 /nfs/dbraw/zinc/30/37/32/1199303732.db2.gz VAKNNIAAJMWZEE-INIZCTEOSA-N 3 2 379.549 0.214 20 0 GCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641629 1199303734 /nfs/dbraw/zinc/30/37/34/1199303734.db2.gz VAKNNIAAJMWZEE-INIZCTEOSA-N 3 2 379.549 0.214 20 0 GCADLP CCn1cc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672642026 1199304036 /nfs/dbraw/zinc/30/40/36/1199304036.db2.gz WJIVZZAIAHMHQY-MRXNPFEDSA-N 2 2 376.505 0.146 20 0 GCADLP CCn1cc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672642026 1199304041 /nfs/dbraw/zinc/30/40/41/1199304041.db2.gz WJIVZZAIAHMHQY-MRXNPFEDSA-N 2 2 376.505 0.146 20 0 GCADLP CCO[C@@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642596 1199304468 /nfs/dbraw/zinc/30/44/68/1199304468.db2.gz OSQNZUVRFWRKCC-AEFFLSMTSA-N 2 2 382.549 0.839 20 0 GCADLP CCO[C@@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642596 1199304474 /nfs/dbraw/zinc/30/44/74/1199304474.db2.gz OSQNZUVRFWRKCC-AEFFLSMTSA-N 2 2 382.549 0.839 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000672642768 1199304982 /nfs/dbraw/zinc/30/49/82/1199304982.db2.gz HUQIVQRHONABSK-QGZVFWFLSA-N 2 2 388.512 0.905 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000672642768 1199304985 /nfs/dbraw/zinc/30/49/85/1199304985.db2.gz HUQIVQRHONABSK-QGZVFWFLSA-N 2 2 388.512 0.905 20 0 GCADLP Cc1cccn2cc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[nH+]c12 ZINC000672764723 1199333773 /nfs/dbraw/zinc/33/37/73/1199333773.db2.gz KTMCSHCXSQZYTP-UHFFFAOYSA-N 3 2 388.516 0.253 20 0 GCADLP Cc1cnccc1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672778518 1199335258 /nfs/dbraw/zinc/33/52/58/1199335258.db2.gz PGUMMIQMEURIPT-IBGZPJMESA-N 2 2 387.528 0.676 20 0 GCADLP Cc1cnccc1CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672778518 1199335266 /nfs/dbraw/zinc/33/52/66/1199335266.db2.gz PGUMMIQMEURIPT-IBGZPJMESA-N 2 2 387.528 0.676 20 0 GCADLP COC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672850757 1199351063 /nfs/dbraw/zinc/35/10/63/1199351063.db2.gz RSLFIAKYDYGVBS-SJORKVTESA-N 2 2 392.500 0.710 20 0 GCADLP COC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672850757 1199351066 /nfs/dbraw/zinc/35/10/66/1199351066.db2.gz RSLFIAKYDYGVBS-SJORKVTESA-N 2 2 392.500 0.710 20 0 GCADLP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1(C)C ZINC000672854904 1199354012 /nfs/dbraw/zinc/35/40/12/1199354012.db2.gz JNLDQQYGVHRIMU-INIZCTEOSA-N 2 2 376.505 0.189 20 0 GCADLP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1(C)C ZINC000672854904 1199354018 /nfs/dbraw/zinc/35/40/18/1199354018.db2.gz JNLDQQYGVHRIMU-INIZCTEOSA-N 2 2 376.505 0.189 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COCCNC(=O)c3ccccc3)C2)CC1 ZINC000680191163 1199357013 /nfs/dbraw/zinc/35/70/13/1199357013.db2.gz MHCWRZALYLHXSN-SFHVURJKSA-N 2 2 388.512 0.718 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COCCNC(=O)c3ccccc3)C2)CC1 ZINC000680191163 1199357016 /nfs/dbraw/zinc/35/70/16/1199357016.db2.gz MHCWRZALYLHXSN-SFHVURJKSA-N 2 2 388.512 0.718 20 0 GCADLP C[C@@H]1CC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672937152 1199373084 /nfs/dbraw/zinc/37/30/84/1199373084.db2.gz ZCFCHFNLSRIOPB-IIDMSEBBSA-N 2 2 380.533 0.686 20 0 GCADLP C[C@@H]1CC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672937152 1199373090 /nfs/dbraw/zinc/37/30/90/1199373090.db2.gz ZCFCHFNLSRIOPB-IIDMSEBBSA-N 2 2 380.533 0.686 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3CNC4=O)C2)CC1 ZINC000672969770 1199380660 /nfs/dbraw/zinc/38/06/60/1199380660.db2.gz KOSLAXNCRFRTRR-ZDUSSCGKSA-N 2 2 385.468 0.153 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3CNC4=O)C2)CC1 ZINC000672969770 1199380663 /nfs/dbraw/zinc/38/06/63/1199380663.db2.gz KOSLAXNCRFRTRR-ZDUSSCGKSA-N 2 2 385.468 0.153 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672980074 1199384723 /nfs/dbraw/zinc/38/47/23/1199384723.db2.gz PURACGKRXULBJP-KRWDZBQOSA-N 3 2 379.549 0.214 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672980074 1199384730 /nfs/dbraw/zinc/38/47/30/1199384730.db2.gz PURACGKRXULBJP-KRWDZBQOSA-N 3 2 379.549 0.214 20 0 GCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673129130 1199434259 /nfs/dbraw/zinc/43/42/59/1199434259.db2.gz URMKHRNRZJIGBH-KRWDZBQOSA-N 2 2 377.489 0.411 20 0 GCADLP CCc1ccnc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673169932 1199462713 /nfs/dbraw/zinc/46/27/13/1199462713.db2.gz NGCACGAPYFVDSH-IBGZPJMESA-N 2 2 387.528 0.887 20 0 GCADLP CCc1ccnc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673169932 1199462717 /nfs/dbraw/zinc/46/27/17/1199462717.db2.gz NGCACGAPYFVDSH-IBGZPJMESA-N 2 2 387.528 0.887 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000066986301 1199473998 /nfs/dbraw/zinc/47/39/98/1199473998.db2.gz ISXUIIIRSOQTKT-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673213696 1199482726 /nfs/dbraw/zinc/48/27/26/1199482726.db2.gz LPQQXBIFTDXCKX-NUJGCVRESA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673213696 1199482729 /nfs/dbraw/zinc/48/27/29/1199482729.db2.gz LPQQXBIFTDXCKX-NUJGCVRESA-N 2 2 380.533 0.545 20 0 GCADLP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000079254694 1199494592 /nfs/dbraw/zinc/49/45/92/1199494592.db2.gz WZAFZNUAKMTVMF-UHFFFAOYSA-N 2 2 376.505 0.907 20 0 GCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000673281459 1199513634 /nfs/dbraw/zinc/51/36/34/1199513634.db2.gz BJRZCCOFEUZFLG-QUCCMNQESA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000673281459 1199513640 /nfs/dbraw/zinc/51/36/40/1199513640.db2.gz BJRZCCOFEUZFLG-QUCCMNQESA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)C1 ZINC000673281459 1199513647 /nfs/dbraw/zinc/51/36/47/1199513647.db2.gz BJRZCCOFEUZFLG-QUCCMNQESA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)C1 ZINC000673281459 1199513656 /nfs/dbraw/zinc/51/36/56/1199513656.db2.gz BJRZCCOFEUZFLG-QUCCMNQESA-N 2 2 399.539 0.528 20 0 GCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673287439 1199517777 /nfs/dbraw/zinc/51/77/77/1199517777.db2.gz YTBFVEMIPOAQLE-CRAIPNDOSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673287439 1199517779 /nfs/dbraw/zinc/51/77/79/1199517779.db2.gz YTBFVEMIPOAQLE-CRAIPNDOSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287439 1199517784 /nfs/dbraw/zinc/51/77/84/1199517784.db2.gz YTBFVEMIPOAQLE-CRAIPNDOSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287439 1199517791 /nfs/dbraw/zinc/51/77/91/1199517791.db2.gz YTBFVEMIPOAQLE-CRAIPNDOSA-N 2 2 388.512 0.593 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287039 1199518036 /nfs/dbraw/zinc/51/80/36/1199518036.db2.gz WGWVIQYFHAGBRB-SFHVURJKSA-N 3 2 375.517 0.241 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287039 1199518040 /nfs/dbraw/zinc/51/80/40/1199518040.db2.gz WGWVIQYFHAGBRB-SFHVURJKSA-N 3 2 375.517 0.241 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000673287905 1199518135 /nfs/dbraw/zinc/51/81/35/1199518135.db2.gz GQIIDKHUSBBEKF-QAPCUYQASA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1CC(C)(C)O ZINC000673287905 1199518138 /nfs/dbraw/zinc/51/81/38/1199518138.db2.gz GQIIDKHUSBBEKF-QAPCUYQASA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1CC(C)(C)O ZINC000673287905 1199518142 /nfs/dbraw/zinc/51/81/42/1199518142.db2.gz GQIIDKHUSBBEKF-QAPCUYQASA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1CC(C)(C)O ZINC000673287905 1199518147 /nfs/dbraw/zinc/51/81/47/1199518147.db2.gz GQIIDKHUSBBEKF-QAPCUYQASA-N 2 2 388.512 0.593 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673284429 1199521068 /nfs/dbraw/zinc/52/10/68/1199521068.db2.gz XEGHCSUHSGJMNR-LPHOPBHVSA-N 2 2 386.496 0.470 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673284429 1199521074 /nfs/dbraw/zinc/52/10/74/1199521074.db2.gz XEGHCSUHSGJMNR-LPHOPBHVSA-N 2 2 386.496 0.470 20 0 GCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673301538 1199527045 /nfs/dbraw/zinc/52/70/45/1199527045.db2.gz WTHUBTGLWKVSPZ-ROUUACIJSA-N 2 2 385.512 0.967 20 0 GCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673301538 1199527055 /nfs/dbraw/zinc/52/70/55/1199527055.db2.gz WTHUBTGLWKVSPZ-ROUUACIJSA-N 2 2 385.512 0.967 20 0 GCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673301536 1199527268 /nfs/dbraw/zinc/52/72/68/1199527268.db2.gz WTHUBTGLWKVSPZ-QZTJIDSGSA-N 2 2 385.512 0.967 20 0 GCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673301536 1199527274 /nfs/dbraw/zinc/52/72/74/1199527274.db2.gz WTHUBTGLWKVSPZ-QZTJIDSGSA-N 2 2 385.512 0.967 20 0 GCADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302748 1199527863 /nfs/dbraw/zinc/52/78/63/1199527863.db2.gz VRLWNVCUXFLFMR-MRXNPFEDSA-N 2 2 389.500 0.346 20 0 GCADLP C[C@@H]1C[C@H](CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673434496 1199644199 /nfs/dbraw/zinc/64/41/99/1199644199.db2.gz NRFMZNFNXOPZQB-LMMKCTJWSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[C@H](CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673434496 1199644201 /nfs/dbraw/zinc/64/42/01/1199644201.db2.gz NRFMZNFNXOPZQB-LMMKCTJWSA-N 2 2 394.560 0.935 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673436222 1199644279 /nfs/dbraw/zinc/64/42/79/1199644279.db2.gz IEAAGSZXLYADQZ-OALUTQOASA-N 2 2 394.560 0.935 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673436222 1199644281 /nfs/dbraw/zinc/64/42/81/1199644281.db2.gz IEAAGSZXLYADQZ-OALUTQOASA-N 2 2 394.560 0.935 20 0 GCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000069506218 1199699411 /nfs/dbraw/zinc/69/94/11/1199699411.db2.gz ADOPQAAYZGHEGB-QGZVFWFLSA-N 2 2 381.521 0.045 20 0 GCADLP C[NH+]1CCN(C[C@@H](NC(=O)NCCC[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000069864710 1199739794 /nfs/dbraw/zinc/73/97/94/1199739794.db2.gz CLMBCCWQDRAELJ-HXUWFJFHSA-N 2 2 389.544 0.997 20 0 GCADLP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001004361368 1199869298 /nfs/dbraw/zinc/86/92/98/1199869298.db2.gz CWDCXFWIEMGRQF-QBIMZIAESA-N 2 2 382.468 0.986 20 0 GCADLP Cc1ccc(NCCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[nH+]c1 ZINC000922835403 1199878748 /nfs/dbraw/zinc/87/87/48/1199878748.db2.gz VZOAZRIFCBOQPY-UHFFFAOYSA-N 2 2 377.489 0.983 20 0 GCADLP CCO[C@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000156015044 1199881857 /nfs/dbraw/zinc/88/18/57/1199881857.db2.gz BTKNTVFNRGLGLS-HNNXBMFYSA-N 2 2 387.488 0.513 20 0 GCADLP CCO[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000156015044 1199881860 /nfs/dbraw/zinc/88/18/60/1199881860.db2.gz BTKNTVFNRGLGLS-HNNXBMFYSA-N 2 2 387.488 0.513 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)O1 ZINC001004570304 1199901983 /nfs/dbraw/zinc/90/19/83/1199901983.db2.gz JEXQTODRFKOMBH-NPIHVYMDSA-N 2 2 397.479 0.915 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)O1 ZINC001004570304 1199901986 /nfs/dbraw/zinc/90/19/86/1199901986.db2.gz JEXQTODRFKOMBH-NPIHVYMDSA-N 2 2 397.479 0.915 20 0 GCADLP CC(C)(O)C[NH+]1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000171148055 1200192030 /nfs/dbraw/zinc/19/20/30/1200192030.db2.gz ZGUCWHDNIPNEGF-UHFFFAOYSA-N 2 2 390.528 0.846 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H](C)[NH+](C)C)cc2)CC1 ZINC000674287704 1200213567 /nfs/dbraw/zinc/21/35/67/1200213567.db2.gz XWXKRDKIZWOLSO-KRWDZBQOSA-N 2 2 390.528 0.838 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000674383960 1200231013 /nfs/dbraw/zinc/23/10/13/1200231013.db2.gz JVNBUXSQMCOHOA-INIZCTEOSA-N 2 2 393.488 0.004 20 0 GCADLP COc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670482238 1200313629 /nfs/dbraw/zinc/31/36/29/1200313629.db2.gz RQFFFOODCYJPQG-KRWDZBQOSA-N 2 2 388.512 0.639 20 0 GCADLP COc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670482238 1200313638 /nfs/dbraw/zinc/31/36/38/1200313638.db2.gz RQFFFOODCYJPQG-KRWDZBQOSA-N 2 2 388.512 0.639 20 0 GCADLP C[NH+]1CCC(OCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CC1 ZINC001005519284 1200331753 /nfs/dbraw/zinc/33/17/53/1200331753.db2.gz CTTGYOHIHFLTAH-BMFZPTHFSA-N 2 2 375.473 0.311 20 0 GCADLP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000670503785 1200381834 /nfs/dbraw/zinc/38/18/34/1200381834.db2.gz QWSAPLWKPBZMPL-IBGZPJMESA-N 3 2 395.592 0.848 20 0 GCADLP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000670503785 1200381843 /nfs/dbraw/zinc/38/18/43/1200381843.db2.gz QWSAPLWKPBZMPL-IBGZPJMESA-N 3 2 395.592 0.848 20 0 GCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000675709786 1200454849 /nfs/dbraw/zinc/45/48/49/1200454849.db2.gz DFAKZSROJQFFOD-ZWKOTPCHSA-N 2 2 381.565 0.955 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000676047694 1200480743 /nfs/dbraw/zinc/48/07/43/1200480743.db2.gz UDSDKTCVXOANMZ-DFQSSKMNSA-N 3 2 393.576 0.832 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000676047694 1200480748 /nfs/dbraw/zinc/48/07/48/1200480748.db2.gz UDSDKTCVXOANMZ-DFQSSKMNSA-N 3 2 393.576 0.832 20 0 GCADLP C[C@@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676297701 1200540166 /nfs/dbraw/zinc/54/01/66/1200540166.db2.gz RTVKGHAIZHIPIS-WBVHZDCISA-N 2 2 397.564 0.631 20 0 GCADLP C[C@@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676297701 1200540170 /nfs/dbraw/zinc/54/01/70/1200540170.db2.gz RTVKGHAIZHIPIS-WBVHZDCISA-N 2 2 397.564 0.631 20 0 GCADLP O=C(NC1CC1)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000676419550 1200557325 /nfs/dbraw/zinc/55/73/25/1200557325.db2.gz VECXTNIJBQAWJY-IBGZPJMESA-N 2 2 386.496 0.602 20 0 GCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271548 1200599119 /nfs/dbraw/zinc/59/91/19/1200599119.db2.gz HMBHRFHPNFCJCL-KONPQCLYSA-N 2 2 387.488 0.583 20 0 GCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271548 1200599121 /nfs/dbraw/zinc/59/91/21/1200599121.db2.gz HMBHRFHPNFCJCL-KONPQCLYSA-N 2 2 387.488 0.583 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCCNc3cccc[nH+]3)n2)CC1 ZINC000377100301 1200672323 /nfs/dbraw/zinc/67/23/23/1200672323.db2.gz ZYPLJAOUZUUAIA-UHFFFAOYSA-N 2 2 385.472 1.102 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)[C@@H](C)C1 ZINC000548116923 1200783189 /nfs/dbraw/zinc/78/31/89/1200783189.db2.gz GTVUFBRHPOSHFX-INIZCTEOSA-N 2 2 377.489 1.471 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)[C@@H](C)C1 ZINC000548116923 1200783193 /nfs/dbraw/zinc/78/31/93/1200783193.db2.gz GTVUFBRHPOSHFX-INIZCTEOSA-N 2 2 377.489 1.471 20 0 GCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000477108590 1200828935 /nfs/dbraw/zinc/82/89/35/1200828935.db2.gz QYHAWBMTYUZFME-PKOBYXMFSA-N 2 2 390.528 0.850 20 0 GCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000477108590 1200828942 /nfs/dbraw/zinc/82/89/42/1200828942.db2.gz QYHAWBMTYUZFME-PKOBYXMFSA-N 2 2 390.528 0.850 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000330017648 1200903322 /nfs/dbraw/zinc/90/33/22/1200903322.db2.gz RLWJLYHEUFMBRX-SJORKVTESA-N 2 2 378.521 1.409 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000330017648 1200903327 /nfs/dbraw/zinc/90/33/27/1200903327.db2.gz RLWJLYHEUFMBRX-SJORKVTESA-N 2 2 378.521 1.409 20 0 GCADLP Cc1cc(NCCNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000636660208 1200906932 /nfs/dbraw/zinc/90/69/32/1200906932.db2.gz AMZUHNFHNAIVLO-HNNXBMFYSA-N 2 2 390.532 1.283 20 0 GCADLP CS(=O)(=O)C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000429378882 1200924805 /nfs/dbraw/zinc/92/48/05/1200924805.db2.gz ITCCDJHVTMLZDI-MRXNPFEDSA-N 2 2 380.514 0.487 20 0 GCADLP CS(=O)(=O)C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000429378882 1200924809 /nfs/dbraw/zinc/92/48/09/1200924809.db2.gz ITCCDJHVTMLZDI-MRXNPFEDSA-N 2 2 380.514 0.487 20 0 GCADLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329286261 1201019098 /nfs/dbraw/zinc/01/90/98/1201019098.db2.gz MAHLCCWIYIUIRB-DLBZAZTESA-N 2 2 376.505 1.306 20 0 GCADLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329286261 1201019103 /nfs/dbraw/zinc/01/91/03/1201019103.db2.gz MAHLCCWIYIUIRB-DLBZAZTESA-N 2 2 376.505 1.306 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079199613 1201249472 /nfs/dbraw/zinc/24/94/72/1201249472.db2.gz DDMTZDJXTFHBSO-WCXIOVBPSA-N 2 2 385.443 0.732 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079311899 1201251873 /nfs/dbraw/zinc/25/18/73/1201251873.db2.gz GPWKYQLJUTXIRJ-PNBKFKSVSA-N 2 2 385.443 0.732 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951379 1201260207 /nfs/dbraw/zinc/26/02/07/1201260207.db2.gz JYYPQBDVLVOHRE-JOCBIADPSA-N 2 2 375.517 0.803 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951379 1201260209 /nfs/dbraw/zinc/26/02/09/1201260209.db2.gz JYYPQBDVLVOHRE-JOCBIADPSA-N 2 2 375.517 0.803 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951379 1201260213 /nfs/dbraw/zinc/26/02/13/1201260213.db2.gz JYYPQBDVLVOHRE-JOCBIADPSA-N 2 2 375.517 0.803 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951379 1201260217 /nfs/dbraw/zinc/26/02/17/1201260217.db2.gz JYYPQBDVLVOHRE-JOCBIADPSA-N 2 2 375.517 0.803 20 0 GCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001079951337 1201260535 /nfs/dbraw/zinc/26/05/35/1201260535.db2.gz HZVNNLCMEPZEFP-OHDICMOHSA-N 2 2 388.512 0.702 20 0 GCADLP CNC(=O)c1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001079951337 1201260539 /nfs/dbraw/zinc/26/05/39/1201260539.db2.gz HZVNNLCMEPZEFP-OHDICMOHSA-N 2 2 388.512 0.702 20 0 GCADLP CNC(=O)c1cccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001079951337 1201260542 /nfs/dbraw/zinc/26/05/42/1201260542.db2.gz HZVNNLCMEPZEFP-OHDICMOHSA-N 2 2 388.512 0.702 20 0 GCADLP CNC(=O)c1cccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001079951337 1201260546 /nfs/dbraw/zinc/26/05/46/1201260546.db2.gz HZVNNLCMEPZEFP-OHDICMOHSA-N 2 2 388.512 0.702 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694548 1201300368 /nfs/dbraw/zinc/30/03/68/1201300368.db2.gz IOHMKYJMLDAKGG-ZQNRLITLSA-N 2 2 379.476 0.974 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694548 1201300372 /nfs/dbraw/zinc/30/03/72/1201300372.db2.gz IOHMKYJMLDAKGG-ZQNRLITLSA-N 2 2 379.476 0.974 20 0 GCADLP CO[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694548 1201300379 /nfs/dbraw/zinc/30/03/79/1201300379.db2.gz IOHMKYJMLDAKGG-ZQNRLITLSA-N 2 2 379.476 0.974 20 0 GCADLP CO[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694548 1201300382 /nfs/dbraw/zinc/30/03/82/1201300382.db2.gz IOHMKYJMLDAKGG-ZQNRLITLSA-N 2 2 379.476 0.974 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)nnn3CC)C[C@H]2OC)CC[N@@H+]1C ZINC001081699403 1201302154 /nfs/dbraw/zinc/30/21/54/1201302154.db2.gz URJZLUIPINBSQQ-BVIKNXMNSA-N 2 2 378.521 0.652 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)nnn3CC)C[C@H]2OC)CC[N@H+]1C ZINC001081699403 1201302158 /nfs/dbraw/zinc/30/21/58/1201302158.db2.gz URJZLUIPINBSQQ-BVIKNXMNSA-N 2 2 378.521 0.652 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3c(C)nnn3CC)C[C@H]2OC)CC[NH+]1C ZINC001081699403 1201302162 /nfs/dbraw/zinc/30/21/62/1201302162.db2.gz URJZLUIPINBSQQ-BVIKNXMNSA-N 2 2 378.521 0.652 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3c(C)nnn3CC)C[C@H]2OC)CC[NH+]1C ZINC001081699403 1201302168 /nfs/dbraw/zinc/30/21/68/1201302168.db2.gz URJZLUIPINBSQQ-BVIKNXMNSA-N 2 2 378.521 0.652 20 0 GCADLP CO[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848119 1201307985 /nfs/dbraw/zinc/30/79/85/1201307985.db2.gz NJJVHMNNAQYSNT-NXWXRZEISA-N 2 2 377.485 0.600 20 0 GCADLP CO[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848119 1201307993 /nfs/dbraw/zinc/30/79/93/1201307993.db2.gz NJJVHMNNAQYSNT-NXWXRZEISA-N 2 2 377.485 0.600 20 0 GCADLP CO[C@@H]1C[NH+](CCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848119 1201307998 /nfs/dbraw/zinc/30/79/98/1201307998.db2.gz NJJVHMNNAQYSNT-NXWXRZEISA-N 2 2 377.485 0.600 20 0 GCADLP CO[C@@H]1C[NH+](CCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848119 1201308011 /nfs/dbraw/zinc/30/80/11/1201308011.db2.gz NJJVHMNNAQYSNT-NXWXRZEISA-N 2 2 377.485 0.600 20 0 GCADLP CO[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848096 1201308309 /nfs/dbraw/zinc/30/83/09/1201308309.db2.gz LTCMSAZUVVCJJH-BASLNEPJSA-N 2 2 382.530 0.529 20 0 GCADLP CO[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848096 1201308317 /nfs/dbraw/zinc/30/83/17/1201308317.db2.gz LTCMSAZUVVCJJH-BASLNEPJSA-N 2 2 382.530 0.529 20 0 GCADLP CO[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848096 1201308324 /nfs/dbraw/zinc/30/83/24/1201308324.db2.gz LTCMSAZUVVCJJH-BASLNEPJSA-N 2 2 382.530 0.529 20 0 GCADLP CO[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848096 1201308335 /nfs/dbraw/zinc/30/83/35/1201308335.db2.gz LTCMSAZUVVCJJH-BASLNEPJSA-N 2 2 382.530 0.529 20 0 GCADLP CO[C@@H]1C[N@H+](CCC2CC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977761 1201314068 /nfs/dbraw/zinc/31/40/68/1201314068.db2.gz STGSYXZEYRCIGD-AKHDSKFASA-N 2 2 381.517 0.482 20 0 GCADLP CO[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977761 1201314074 /nfs/dbraw/zinc/31/40/74/1201314074.db2.gz STGSYXZEYRCIGD-AKHDSKFASA-N 2 2 381.517 0.482 20 0 GCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H](OC)C2)cn1 ZINC001082149756 1201320748 /nfs/dbraw/zinc/32/07/48/1201320748.db2.gz MYICTOBEANDODR-YWTNHNAXSA-N 2 2 386.500 0.798 20 0 GCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H](OC)C2)cn1 ZINC001082149756 1201320752 /nfs/dbraw/zinc/32/07/52/1201320752.db2.gz MYICTOBEANDODR-YWTNHNAXSA-N 2 2 386.500 0.798 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082517498 1201336169 /nfs/dbraw/zinc/33/61/69/1201336169.db2.gz QDIOYBDYJUVKGW-BRSBDYLESA-N 2 2 385.512 0.823 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC001082590070 1201338383 /nfs/dbraw/zinc/33/83/83/1201338383.db2.gz AGFIGFSMDWCMTB-KBUPBQIOSA-N 2 2 378.521 0.758 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC001082590070 1201338391 /nfs/dbraw/zinc/33/83/91/1201338391.db2.gz AGFIGFSMDWCMTB-KBUPBQIOSA-N 2 2 378.521 0.758 20 0 GCADLP COc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@H]3C2)cc1 ZINC001083119530 1201380809 /nfs/dbraw/zinc/38/08/09/1201380809.db2.gz YMKAGBAKITWSSA-XWPNQZOQSA-N 2 2 389.496 0.826 20 0 GCADLP COc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@H]3C2)cc1 ZINC001083119530 1201380816 /nfs/dbraw/zinc/38/08/16/1201380816.db2.gz YMKAGBAKITWSSA-XWPNQZOQSA-N 2 2 389.496 0.826 20 0 GCADLP COc1ccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@H]3C2)cc1 ZINC001083119530 1201380822 /nfs/dbraw/zinc/38/08/22/1201380822.db2.gz YMKAGBAKITWSSA-XWPNQZOQSA-N 2 2 389.496 0.826 20 0 GCADLP COc1ccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@H]3C2)cc1 ZINC001083119530 1201380827 /nfs/dbraw/zinc/38/08/27/1201380827.db2.gz YMKAGBAKITWSSA-XWPNQZOQSA-N 2 2 389.496 0.826 20 0 GCADLP Cc1nc(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 ZINC001084447279 1201412547 /nfs/dbraw/zinc/41/25/47/1201412547.db2.gz HDVSONDAFHQOPJ-BNEJOLLZSA-N 2 2 376.505 0.147 20 0 GCADLP Cc1nc(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 ZINC001084447279 1201412549 /nfs/dbraw/zinc/41/25/49/1201412549.db2.gz HDVSONDAFHQOPJ-BNEJOLLZSA-N 2 2 376.505 0.147 20 0 GCADLP Cc1nc(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 ZINC001084447279 1201412558 /nfs/dbraw/zinc/41/25/58/1201412558.db2.gz HDVSONDAFHQOPJ-BNEJOLLZSA-N 2 2 376.505 0.147 20 0 GCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)CC1 ZINC001084446692 1201414109 /nfs/dbraw/zinc/41/41/09/1201414109.db2.gz JQUADRSSDLORFH-NCXUSEDFSA-N 2 2 392.544 0.497 20 0 GCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)CC1 ZINC001084446692 1201414113 /nfs/dbraw/zinc/41/41/13/1201414113.db2.gz JQUADRSSDLORFH-NCXUSEDFSA-N 2 2 392.544 0.497 20 0 GCADLP CC1CCN(C(=O)C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)CC1 ZINC001084446692 1201414117 /nfs/dbraw/zinc/41/41/17/1201414117.db2.gz JQUADRSSDLORFH-NCXUSEDFSA-N 2 2 392.544 0.497 20 0 GCADLP CC1CCN(C(=O)C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)CC1 ZINC001084446692 1201414122 /nfs/dbraw/zinc/41/41/22/1201414122.db2.gz JQUADRSSDLORFH-NCXUSEDFSA-N 2 2 392.544 0.497 20 0 GCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000175914067 1201493052 /nfs/dbraw/zinc/49/30/52/1201493052.db2.gz SYFLFVBRMCKRIT-IRXDYDNUSA-N 2 2 375.521 0.771 20 0 GCADLP COCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995263 1201531330 /nfs/dbraw/zinc/53/13/30/1201531330.db2.gz UIDUVXYCFOHNNJ-YRXWBPOGSA-N 2 2 381.517 0.435 20 0 GCADLP COCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995263 1201531334 /nfs/dbraw/zinc/53/13/34/1201531334.db2.gz UIDUVXYCFOHNNJ-YRXWBPOGSA-N 2 2 381.517 0.435 20 0 GCADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565543 1201549121 /nfs/dbraw/zinc/54/91/21/1201549121.db2.gz ZJNYCMVPCQJBSM-HNNXBMFYSA-N 2 2 377.489 0.756 20 0 GCADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565543 1201549122 /nfs/dbraw/zinc/54/91/22/1201549122.db2.gz ZJNYCMVPCQJBSM-HNNXBMFYSA-N 2 2 377.489 0.756 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)O1 ZINC001085242932 1201647821 /nfs/dbraw/zinc/64/78/21/1201647821.db2.gz MVDUONVZSQVADN-DTZQCDIJSA-N 2 2 377.493 0.244 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)O1 ZINC001085242932 1201647825 /nfs/dbraw/zinc/64/78/25/1201647825.db2.gz MVDUONVZSQVADN-DTZQCDIJSA-N 2 2 377.493 0.244 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1C ZINC000734663992 1201658190 /nfs/dbraw/zinc/65/81/90/1201658190.db2.gz SDIQQIFLTVTAAB-KRWDZBQOSA-N 2 2 391.516 0.913 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1C ZINC000734663992 1201658193 /nfs/dbraw/zinc/65/81/93/1201658193.db2.gz SDIQQIFLTVTAAB-KRWDZBQOSA-N 2 2 391.516 0.913 20 0 GCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)C2=O ZINC000738111517 1201734156 /nfs/dbraw/zinc/73/41/56/1201734156.db2.gz MXOWMOCLWRNBHM-UHFFFAOYSA-N 3 2 393.532 0.394 20 0 GCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)C2=O ZINC000744441697 1201843828 /nfs/dbraw/zinc/84/38/28/1201843828.db2.gz SUILEXKFIVXKDL-UHFFFAOYSA-N 3 2 393.532 0.537 20 0 GCADLP CNC(=O)C1([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000745985039 1201894011 /nfs/dbraw/zinc/89/40/11/1201894011.db2.gz ZDIFINKILMIHKW-UHFFFAOYSA-N 2 2 388.512 0.783 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000046230457 1201911177 /nfs/dbraw/zinc/91/11/77/1201911177.db2.gz DHSGZIUBEWBNHZ-UHFFFAOYSA-N 2 2 387.528 0.986 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000766365021 1201921187 /nfs/dbraw/zinc/92/11/87/1201921187.db2.gz AMFLPPFVBYIPQH-UHFFFAOYSA-N 2 2 399.536 0.112 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000766365021 1201921190 /nfs/dbraw/zinc/92/11/90/1201921190.db2.gz AMFLPPFVBYIPQH-UHFFFAOYSA-N 2 2 399.536 0.112 20 0 GCADLP CCOC(COc1cc(Cl)nnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO)OCC ZINC001169071890 1201932069 /nfs/dbraw/zinc/93/20/69/1201932069.db2.gz OOLAIJYMKMSQRY-LLVKDONJSA-N 2 2 385.852 0.956 20 0 GCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC[NH+]1CCCC1 ZINC001169160725 1201933555 /nfs/dbraw/zinc/93/35/55/1201933555.db2.gz LJPCEFMVXAODIG-HNNXBMFYSA-N 2 2 376.505 0.678 20 0 GCADLP C[NH+]1CCN(c2ccc(NCC[NH+]3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC001169344898 1201942029 /nfs/dbraw/zinc/94/20/29/1201942029.db2.gz WZYYWDWIWIHLMB-UHFFFAOYSA-N 2 2 381.546 0.428 20 0 GCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CO1 ZINC001169391561 1201945539 /nfs/dbraw/zinc/94/55/39/1201945539.db2.gz ZNWGCXKGIBARKT-CJNGLKHVSA-N 2 2 394.472 0.435 20 0 GCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CO1 ZINC001169391561 1201945541 /nfs/dbraw/zinc/94/55/41/1201945541.db2.gz ZNWGCXKGIBARKT-CJNGLKHVSA-N 2 2 394.472 0.435 20 0 GCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CO1 ZINC001169391560 1201945771 /nfs/dbraw/zinc/94/57/71/1201945771.db2.gz ZNWGCXKGIBARKT-BBRMVZONSA-N 2 2 394.472 0.435 20 0 GCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CO1 ZINC001169391560 1201945773 /nfs/dbraw/zinc/94/57/73/1201945773.db2.gz ZNWGCXKGIBARKT-BBRMVZONSA-N 2 2 394.472 0.435 20 0 GCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@@H]1CCCC2(C1)OCCO2 ZINC001169937615 1201960010 /nfs/dbraw/zinc/96/00/10/1201960010.db2.gz XHCTXKPPWJSZTJ-KBMXLJTQSA-N 2 2 391.472 0.087 20 0 GCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C2 ZINC001109301895 1202017752 /nfs/dbraw/zinc/01/77/52/1202017752.db2.gz PEQLMRKOQWZKSN-JGLNRKDHSA-N 2 2 392.544 0.591 20 0 GCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C2 ZINC001109301895 1202017754 /nfs/dbraw/zinc/01/77/54/1202017754.db2.gz PEQLMRKOQWZKSN-JGLNRKDHSA-N 2 2 392.544 0.591 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2(CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001109305658 1202018682 /nfs/dbraw/zinc/01/86/82/1202018682.db2.gz LYNMKEQRQNSFIQ-MTSZKFMLSA-N 2 2 383.558 0.873 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2(CS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001109305658 1202018689 /nfs/dbraw/zinc/01/86/89/1202018689.db2.gz LYNMKEQRQNSFIQ-MTSZKFMLSA-N 2 2 383.558 0.873 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2(CS(C)(=O)=O)CC2)CC[NH+]1C ZINC001109305658 1202018692 /nfs/dbraw/zinc/01/86/92/1202018692.db2.gz LYNMKEQRQNSFIQ-MTSZKFMLSA-N 2 2 383.558 0.873 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2(CS(C)(=O)=O)CC2)CC[NH+]1C ZINC001109305658 1202018693 /nfs/dbraw/zinc/01/86/93/1202018693.db2.gz LYNMKEQRQNSFIQ-MTSZKFMLSA-N 2 2 383.558 0.873 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109304915 1202018809 /nfs/dbraw/zinc/01/88/09/1202018809.db2.gz AAZQWZLXRLNXFO-HMDCTGQHSA-N 2 2 393.532 0.674 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109304915 1202018812 /nfs/dbraw/zinc/01/88/12/1202018812.db2.gz AAZQWZLXRLNXFO-HMDCTGQHSA-N 2 2 393.532 0.674 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001109304915 1202018813 /nfs/dbraw/zinc/01/88/13/1202018813.db2.gz AAZQWZLXRLNXFO-HMDCTGQHSA-N 2 2 393.532 0.674 20 0 GCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109304915 1202018815 /nfs/dbraw/zinc/01/88/15/1202018815.db2.gz AAZQWZLXRLNXFO-HMDCTGQHSA-N 2 2 393.532 0.674 20 0 GCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1)C1CCC1 ZINC001109406362 1202039428 /nfs/dbraw/zinc/03/94/28/1202039428.db2.gz YEVZKFFGBGSWDA-SQNIBIBYSA-N 2 2 378.517 0.487 20 0 GCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1)C1CCC1 ZINC001109406362 1202039430 /nfs/dbraw/zinc/03/94/30/1202039430.db2.gz YEVZKFFGBGSWDA-SQNIBIBYSA-N 2 2 378.517 0.487 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1)C1CCC1 ZINC001109406362 1202039433 /nfs/dbraw/zinc/03/94/33/1202039433.db2.gz YEVZKFFGBGSWDA-SQNIBIBYSA-N 2 2 378.517 0.487 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1)C1CCC1 ZINC001109406362 1202039435 /nfs/dbraw/zinc/03/94/35/1202039435.db2.gz YEVZKFFGBGSWDA-SQNIBIBYSA-N 2 2 378.517 0.487 20 0 GCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109418107 1202041340 /nfs/dbraw/zinc/04/13/40/1202041340.db2.gz XOAJRIMVLOUUEK-FZKCQIBNSA-N 2 2 379.505 0.428 20 0 GCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109418107 1202041342 /nfs/dbraw/zinc/04/13/42/1202041342.db2.gz XOAJRIMVLOUUEK-FZKCQIBNSA-N 2 2 379.505 0.428 20 0 GCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109418107 1202041346 /nfs/dbraw/zinc/04/13/46/1202041346.db2.gz XOAJRIMVLOUUEK-FZKCQIBNSA-N 2 2 379.505 0.428 20 0 GCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109418107 1202041348 /nfs/dbraw/zinc/04/13/48/1202041348.db2.gz XOAJRIMVLOUUEK-FZKCQIBNSA-N 2 2 379.505 0.428 20 0 GCADLP C[NH+]1CCN(CCNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000769085486 1202045733 /nfs/dbraw/zinc/04/57/33/1202045733.db2.gz BHAUMOZEIOTLSX-UHFFFAOYSA-N 2 2 383.537 0.339 20 0 GCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443112 1202051970 /nfs/dbraw/zinc/05/19/70/1202051970.db2.gz WBCRPAJSQVZGLK-KBXIAJHMSA-N 2 2 377.489 0.167 20 0 GCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443112 1202051972 /nfs/dbraw/zinc/05/19/72/1202051972.db2.gz WBCRPAJSQVZGLK-KBXIAJHMSA-N 2 2 377.489 0.167 20 0 GCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC(C)C)[NH+](C)C ZINC001109443906 1202052609 /nfs/dbraw/zinc/05/26/09/1202052609.db2.gz KNFCFTLVRXHIJE-XDNAFOTISA-N 2 2 382.549 0.979 20 0 GCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC(C)C)[NH+](C)C ZINC001109443906 1202052610 /nfs/dbraw/zinc/05/26/10/1202052610.db2.gz KNFCFTLVRXHIJE-XDNAFOTISA-N 2 2 382.549 0.979 20 0 GCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109466064 1202057005 /nfs/dbraw/zinc/05/70/05/1202057005.db2.gz HVJVQMMREPCBPK-QZWWFDLISA-N 2 2 380.533 0.733 20 0 GCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109466064 1202057007 /nfs/dbraw/zinc/05/70/07/1202057007.db2.gz HVJVQMMREPCBPK-QZWWFDLISA-N 2 2 380.533 0.733 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109466064 1202057009 /nfs/dbraw/zinc/05/70/09/1202057009.db2.gz HVJVQMMREPCBPK-QZWWFDLISA-N 2 2 380.533 0.733 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109466064 1202057011 /nfs/dbraw/zinc/05/70/11/1202057011.db2.gz HVJVQMMREPCBPK-QZWWFDLISA-N 2 2 380.533 0.733 20 0 GCADLP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000769495774 1202059653 /nfs/dbraw/zinc/05/96/53/1202059653.db2.gz UIZXYSOSQQKSTR-CVEARBPZSA-N 2 2 384.521 0.765 20 0 GCADLP CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519938 1202069805 /nfs/dbraw/zinc/06/98/05/1202069805.db2.gz BBEGMWZDTIUGMU-KBMXLJTQSA-N 2 2 377.470 0.219 20 0 GCADLP CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519938 1202069806 /nfs/dbraw/zinc/06/98/06/1202069806.db2.gz BBEGMWZDTIUGMU-KBMXLJTQSA-N 2 2 377.470 0.219 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590033 1202087135 /nfs/dbraw/zinc/08/71/35/1202087135.db2.gz PDOCLWLEKJEYTF-KBXIAJHMSA-N 2 2 379.505 0.426 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590033 1202087137 /nfs/dbraw/zinc/08/71/37/1202087137.db2.gz PDOCLWLEKJEYTF-KBXIAJHMSA-N 2 2 379.505 0.426 20 0 GCADLP C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000770303002 1202093479 /nfs/dbraw/zinc/09/34/79/1202093479.db2.gz MJHKUHGEASHBMF-CRAIPNDOSA-N 2 2 389.500 0.212 20 0 GCADLP C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000770303002 1202093482 /nfs/dbraw/zinc/09/34/82/1202093482.db2.gz MJHKUHGEASHBMF-CRAIPNDOSA-N 2 2 389.500 0.212 20 0 GCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)C1 ZINC001109638624 1202096660 /nfs/dbraw/zinc/09/66/60/1202096660.db2.gz AOZTUFZQRXEOPE-OWSLCNJRSA-N 2 2 378.517 0.343 20 0 GCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)C1 ZINC001109638624 1202096662 /nfs/dbraw/zinc/09/66/62/1202096662.db2.gz AOZTUFZQRXEOPE-OWSLCNJRSA-N 2 2 378.517 0.343 20 0 GCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)C1 ZINC001109638624 1202096663 /nfs/dbraw/zinc/09/66/63/1202096663.db2.gz AOZTUFZQRXEOPE-OWSLCNJRSA-N 2 2 378.517 0.343 20 0 GCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)C1 ZINC001109638624 1202096664 /nfs/dbraw/zinc/09/66/64/1202096664.db2.gz AOZTUFZQRXEOPE-OWSLCNJRSA-N 2 2 378.517 0.343 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109648978 1202098138 /nfs/dbraw/zinc/09/81/38/1202098138.db2.gz MNZQSWLPZKJDRK-XGUBFFRZSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109648978 1202098141 /nfs/dbraw/zinc/09/81/41/1202098141.db2.gz MNZQSWLPZKJDRK-XGUBFFRZSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671449 1202103374 /nfs/dbraw/zinc/10/33/74/1202103374.db2.gz JLIKYRGDRRERMP-OJLVUWQFSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671449 1202103377 /nfs/dbraw/zinc/10/33/77/1202103377.db2.gz JLIKYRGDRRERMP-OJLVUWQFSA-N 2 2 379.505 0.284 20 0 GCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109709851 1202107362 /nfs/dbraw/zinc/10/73/62/1202107362.db2.gz ZWCPSWSLKJUUSB-XDNAFOTISA-N 2 2 382.549 0.981 20 0 GCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109709851 1202107363 /nfs/dbraw/zinc/10/73/63/1202107363.db2.gz ZWCPSWSLKJUUSB-XDNAFOTISA-N 2 2 382.549 0.981 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724171 1202110129 /nfs/dbraw/zinc/11/01/29/1202110129.db2.gz FOKFLGLXMYAFLQ-KBXIAJHMSA-N 2 2 379.505 0.284 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724171 1202110131 /nfs/dbraw/zinc/11/01/31/1202110131.db2.gz FOKFLGLXMYAFLQ-KBXIAJHMSA-N 2 2 379.505 0.284 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109724171 1202110132 /nfs/dbraw/zinc/11/01/32/1202110132.db2.gz FOKFLGLXMYAFLQ-KBXIAJHMSA-N 2 2 379.505 0.284 20 0 GCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109724171 1202110133 /nfs/dbraw/zinc/11/01/33/1202110133.db2.gz FOKFLGLXMYAFLQ-KBXIAJHMSA-N 2 2 379.505 0.284 20 0 GCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170023117 1202129330 /nfs/dbraw/zinc/12/93/30/1202129330.db2.gz USFKBJNDOWCELH-DGAVXFQQSA-N 2 2 386.518 0.213 20 0 GCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001109843520 1202133844 /nfs/dbraw/zinc/13/38/44/1202133844.db2.gz NVLZVUDZFICYSI-SQNIBIBYSA-N 2 2 378.517 0.443 20 0 GCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001109843520 1202133845 /nfs/dbraw/zinc/13/38/45/1202133845.db2.gz NVLZVUDZFICYSI-SQNIBIBYSA-N 2 2 378.517 0.443 20 0 GCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843430 1202134033 /nfs/dbraw/zinc/13/40/33/1202134033.db2.gz JXJUYPQSHSJFRV-SQNIBIBYSA-N 2 2 380.533 0.737 20 0 GCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843430 1202134036 /nfs/dbraw/zinc/13/40/36/1202134036.db2.gz JXJUYPQSHSJFRV-SQNIBIBYSA-N 2 2 380.533 0.737 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000771545471 1202145143 /nfs/dbraw/zinc/14/51/43/1202145143.db2.gz LOZDOTRTHWFLFO-GOSISDBHSA-N 2 2 381.565 0.907 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[N@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000771545471 1202145145 /nfs/dbraw/zinc/14/51/45/1202145145.db2.gz LOZDOTRTHWFLFO-GOSISDBHSA-N 2 2 381.565 0.907 20 0 GCADLP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001109902672 1202146912 /nfs/dbraw/zinc/14/69/12/1202146912.db2.gz VOYGUQBZEPPZNT-PVAVHDDUSA-N 2 2 380.533 0.733 20 0 GCADLP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001109902672 1202146913 /nfs/dbraw/zinc/14/69/13/1202146913.db2.gz VOYGUQBZEPPZNT-PVAVHDDUSA-N 2 2 380.533 0.733 20 0 GCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980425 1202165684 /nfs/dbraw/zinc/16/56/84/1202165684.db2.gz NUYLCIIKIKDQGU-PMPSAXMXSA-N 2 2 375.535 0.111 20 0 GCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980425 1202165689 /nfs/dbraw/zinc/16/56/89/1202165689.db2.gz NUYLCIIKIKDQGU-PMPSAXMXSA-N 2 2 375.535 0.111 20 0 GCADLP CS(=O)(=O)CC1(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)CC1 ZINC001109981118 1202166417 /nfs/dbraw/zinc/16/64/17/1202166417.db2.gz MDWGBYTZEHDWEP-PMPSAXMXSA-N 2 2 381.542 0.629 20 0 GCADLP CS(=O)(=O)CC1(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)CC1 ZINC001109981118 1202166419 /nfs/dbraw/zinc/16/64/19/1202166419.db2.gz MDWGBYTZEHDWEP-PMPSAXMXSA-N 2 2 381.542 0.629 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1C ZINC000788254235 1205417409 /nfs/dbraw/zinc/41/74/09/1205417409.db2.gz SSDDGZXSRXCSER-GOSISDBHSA-N 2 2 380.514 0.877 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2c2ccccc2)O1 ZINC001086595004 1205474021 /nfs/dbraw/zinc/47/40/21/1205474021.db2.gz GEPCGFVSSRUNQD-QXCFHYIPSA-N 2 2 388.512 0.378 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2c2ccccc2)O1 ZINC001086595004 1205474023 /nfs/dbraw/zinc/47/40/23/1205474023.db2.gz GEPCGFVSSRUNQD-QXCFHYIPSA-N 2 2 388.512 0.378 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2c2ccccc2)O1 ZINC001086595004 1205474025 /nfs/dbraw/zinc/47/40/25/1205474025.db2.gz GEPCGFVSSRUNQD-QXCFHYIPSA-N 2 2 388.512 0.378 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2c2ccccc2)O1 ZINC001086595004 1205474027 /nfs/dbraw/zinc/47/40/27/1205474027.db2.gz GEPCGFVSSRUNQD-QXCFHYIPSA-N 2 2 388.512 0.378 20 0 GCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(OCC[NH+]3CCOCC3)nc2)O1 ZINC001170279944 1205490446 /nfs/dbraw/zinc/49/04/46/1205490446.db2.gz PXXYNSMYQPMLFK-ZHALLVOQSA-N 2 2 380.489 0.929 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793701010 1205504333 /nfs/dbraw/zinc/50/43/33/1205504333.db2.gz NNUWPQKBZKTRCT-HKUYNNGSSA-N 3 2 393.576 0.604 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793701010 1205504335 /nfs/dbraw/zinc/50/43/35/1205504335.db2.gz NNUWPQKBZKTRCT-HKUYNNGSSA-N 3 2 393.576 0.604 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000793706326 1205504686 /nfs/dbraw/zinc/50/46/86/1205504686.db2.gz GKCMUVNZWPEATF-SQNIBIBYSA-N 2 2 380.533 0.737 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000793873904 1205508342 /nfs/dbraw/zinc/50/83/42/1205508342.db2.gz DHLHEYZYJCDJNQ-IRXDYDNUSA-N 2 2 398.548 0.843 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000793873904 1205508344 /nfs/dbraw/zinc/50/83/44/1205508344.db2.gz DHLHEYZYJCDJNQ-IRXDYDNUSA-N 2 2 398.548 0.843 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101789 1205511987 /nfs/dbraw/zinc/51/19/87/1205511987.db2.gz FTDAATSILIHSAX-WCVJEAGWSA-N 2 2 379.505 0.141 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101789 1205511988 /nfs/dbraw/zinc/51/19/88/1205511988.db2.gz FTDAATSILIHSAX-WCVJEAGWSA-N 2 2 379.505 0.141 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101789 1205511991 /nfs/dbraw/zinc/51/19/91/1205511991.db2.gz FTDAATSILIHSAX-WCVJEAGWSA-N 2 2 379.505 0.141 20 0 GCADLP CC(C)CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101789 1205511993 /nfs/dbraw/zinc/51/19/93/1205511993.db2.gz FTDAATSILIHSAX-WCVJEAGWSA-N 2 2 379.505 0.141 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794398514 1205514224 /nfs/dbraw/zinc/51/42/24/1205514224.db2.gz CPDABCXNLIPWOY-HZPDHXFCSA-N 2 2 384.521 0.501 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794398514 1205514226 /nfs/dbraw/zinc/51/42/26/1205514226.db2.gz CPDABCXNLIPWOY-HZPDHXFCSA-N 2 2 384.521 0.501 20 0 GCADLP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130012042 1205528546 /nfs/dbraw/zinc/52/85/46/1205528546.db2.gz LOWMGRBYUWLVJA-KONPQCLYSA-N 2 2 387.488 0.583 20 0 GCADLP CON(CC1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806211280 1205551706 /nfs/dbraw/zinc/55/17/06/1205551706.db2.gz VRXAJOLTFNMSCN-INIZCTEOSA-N 2 2 382.505 0.088 20 0 GCADLP CON(CC1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806211280 1205551707 /nfs/dbraw/zinc/55/17/07/1205551707.db2.gz VRXAJOLTFNMSCN-INIZCTEOSA-N 2 2 382.505 0.088 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)C2)CC1 ZINC000806211231 1205551744 /nfs/dbraw/zinc/55/17/44/1205551744.db2.gz UTMHWJLASQKUCZ-NVXWUHKLSA-N 2 2 394.516 0.073 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)C2)CC1 ZINC000806211231 1205551746 /nfs/dbraw/zinc/55/17/46/1205551746.db2.gz UTMHWJLASQKUCZ-NVXWUHKLSA-N 2 2 394.516 0.073 20 0 GCADLP Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000806210417 1205551934 /nfs/dbraw/zinc/55/19/34/1205551934.db2.gz PSTXPMMMQWPWMY-QAPCUYQASA-N 2 2 389.500 0.931 20 0 GCADLP Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000806210417 1205551935 /nfs/dbraw/zinc/55/19/35/1205551935.db2.gz PSTXPMMMQWPWMY-QAPCUYQASA-N 2 2 389.500 0.931 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000806688976 1205561903 /nfs/dbraw/zinc/56/19/03/1205561903.db2.gz BPGKVRTVQQNLNY-QGZVFWFLSA-N 2 2 396.532 0.273 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000806688976 1205561904 /nfs/dbraw/zinc/56/19/04/1205561904.db2.gz BPGKVRTVQQNLNY-QGZVFWFLSA-N 2 2 396.532 0.273 20 0 GCADLP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001131516998 1205615427 /nfs/dbraw/zinc/61/54/27/1205615427.db2.gz FGAKAOKZNCFRLE-NNFUDEMPSA-N 2 2 389.500 0.587 20 0 GCADLP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001131516998 1205615429 /nfs/dbraw/zinc/61/54/29/1205615429.db2.gz FGAKAOKZNCFRLE-NNFUDEMPSA-N 2 2 389.500 0.587 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747560546 1205624532 /nfs/dbraw/zinc/62/45/32/1205624532.db2.gz DHIPTOAPNXVWKC-DLBZAZTESA-N 2 2 378.477 0.200 20 0 GCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747560546 1205624534 /nfs/dbraw/zinc/62/45/34/1205624534.db2.gz DHIPTOAPNXVWKC-DLBZAZTESA-N 2 2 378.477 0.200 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955226 1205631936 /nfs/dbraw/zinc/63/19/36/1205631936.db2.gz STFFVZVDCLLHRH-HNAYVOBHSA-N 2 2 384.521 0.501 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955226 1205631937 /nfs/dbraw/zinc/63/19/37/1205631937.db2.gz STFFVZVDCLLHRH-HNAYVOBHSA-N 2 2 384.521 0.501 20 0 GCADLP COC(=O)CC[C@@]1(C)NC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000811750513 1205655109 /nfs/dbraw/zinc/65/51/09/1205655109.db2.gz YWJZFJJAKUHKTK-GOSISDBHSA-N 2 2 384.477 0.250 20 0 GCADLP CCN1CC[C@H]([N@@H+]2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)CC1=O ZINC001172037303 1205711968 /nfs/dbraw/zinc/71/19/68/1205711968.db2.gz OSXVGPNLSKFTJF-FUHWJXTLSA-N 2 2 390.532 0.838 20 0 GCADLP CCN1CC[C@H]([N@H+]2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)CC1=O ZINC001172037303 1205711969 /nfs/dbraw/zinc/71/19/69/1205711969.db2.gz OSXVGPNLSKFTJF-FUHWJXTLSA-N 2 2 390.532 0.838 20 0 GCADLP CCN1CC[C@H]([N@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CC1=O ZINC001172044043 1205712409 /nfs/dbraw/zinc/71/24/09/1205712409.db2.gz RPFLKEAFJOVWIU-INIZCTEOSA-N 2 2 399.499 0.416 20 0 GCADLP CCN1CC[C@H]([N@@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CC1=O ZINC001172044043 1205712411 /nfs/dbraw/zinc/71/24/11/1205712411.db2.gz RPFLKEAFJOVWIU-INIZCTEOSA-N 2 2 399.499 0.416 20 0 GCADLP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172261921 1205715081 /nfs/dbraw/zinc/71/50/81/1205715081.db2.gz ZHQQCJZNYJATLB-LTIDMASMSA-N 2 2 392.452 0.635 20 0 GCADLP COCCC[NH+]1CCC([N@@H+]2CCO[C@H]3[C@H](OCC(=O)N(C)C)CC[C@@H]32)CC1 ZINC001172251834 1205715177 /nfs/dbraw/zinc/71/51/77/1205715177.db2.gz WJXCBOUVQRUVGM-NLWGTHIKSA-N 2 2 383.533 0.824 20 0 GCADLP COCCC[NH+]1CCC([N@H+]2CCO[C@H]3[C@H](OCC(=O)N(C)C)CC[C@@H]32)CC1 ZINC001172251834 1205715179 /nfs/dbraw/zinc/71/51/79/1205715179.db2.gz WJXCBOUVQRUVGM-NLWGTHIKSA-N 2 2 383.533 0.824 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)NC(C)(C)C1=O ZINC001095234311 1205725724 /nfs/dbraw/zinc/72/57/24/1205725724.db2.gz PNNJJQUXCUSVGG-QPSCCSFWSA-N 2 2 377.489 0.133 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)NC(C)(C)C1=O ZINC001095234311 1205725727 /nfs/dbraw/zinc/72/57/27/1205725727.db2.gz PNNJJQUXCUSVGG-QPSCCSFWSA-N 2 2 377.489 0.133 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001095234311 1205725729 /nfs/dbraw/zinc/72/57/29/1205725729.db2.gz PNNJJQUXCUSVGG-QPSCCSFWSA-N 2 2 377.489 0.133 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001095234311 1205725730 /nfs/dbraw/zinc/72/57/30/1205725730.db2.gz PNNJJQUXCUSVGG-QPSCCSFWSA-N 2 2 377.489 0.133 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(c1ncnc2c1CC[NH2+]CC2)C(C)C ZINC001176355020 1205746820 /nfs/dbraw/zinc/74/68/20/1205746820.db2.gz FAMYQDNZMUUOGB-QGZVFWFLSA-N 2 2 385.472 0.377 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ncnc2c1CC[NH2+]CC2)C(C)C ZINC001176355020 1205746822 /nfs/dbraw/zinc/74/68/22/1205746822.db2.gz FAMYQDNZMUUOGB-QGZVFWFLSA-N 2 2 385.472 0.377 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001176358262 1205746993 /nfs/dbraw/zinc/74/69/93/1205746993.db2.gz ZLSHFROPVRXYDS-DLBZAZTESA-N 2 2 391.516 0.995 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001176358262 1205746994 /nfs/dbraw/zinc/74/69/94/1205746994.db2.gz ZLSHFROPVRXYDS-DLBZAZTESA-N 2 2 391.516 0.995 20 0 GCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177214579 1205763348 /nfs/dbraw/zinc/76/33/48/1205763348.db2.gz NFBOFQFMMVZBKY-SFHVURJKSA-N 2 2 385.468 0.928 20 0 GCADLP Cn1nnc2c1CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001177993760 1205780695 /nfs/dbraw/zinc/78/06/95/1205780695.db2.gz OLRGHHDZFDINOF-MRXNPFEDSA-N 2 2 387.488 0.709 20 0 GCADLP COc1cc(N2CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)cc[nH+]1 ZINC001180610037 1205828653 /nfs/dbraw/zinc/82/86/53/1205828653.db2.gz DOSYMTZMWTZFDT-UHFFFAOYSA-N 2 2 375.473 0.326 20 0 GCADLP Cc1ccc(N(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761141 1205830177 /nfs/dbraw/zinc/83/01/77/1205830177.db2.gz XHIZRZXDRUDONT-GJYPPUQNSA-N 2 2 375.473 0.360 20 0 GCADLP Cc1ccc(N(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761141 1205830178 /nfs/dbraw/zinc/83/01/78/1205830178.db2.gz XHIZRZXDRUDONT-GJYPPUQNSA-N 2 2 375.473 0.360 20 0 GCADLP Cc1ccc(N(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761140 1205830321 /nfs/dbraw/zinc/83/03/21/1205830321.db2.gz XHIZRZXDRUDONT-BXWFABGCSA-N 2 2 375.473 0.360 20 0 GCADLP Cc1ccc(N(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761140 1205830323 /nfs/dbraw/zinc/83/03/23/1205830323.db2.gz XHIZRZXDRUDONT-BXWFABGCSA-N 2 2 375.473 0.360 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCC[C@H]3O)CC2)C1=O ZINC001181088881 1205838363 /nfs/dbraw/zinc/83/83/63/1205838363.db2.gz XDVYXPOFJYMFGQ-IAGOWNOFSA-N 2 2 380.533 0.234 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCC[C@H]3O)CC2)C1=O ZINC001181088881 1205838364 /nfs/dbraw/zinc/83/83/64/1205838364.db2.gz XDVYXPOFJYMFGQ-IAGOWNOFSA-N 2 2 380.533 0.234 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)[C@@H]2NCN[C@@H]21 ZINC001182244988 1205861335 /nfs/dbraw/zinc/86/13/35/1205861335.db2.gz RMHGWRLKBQRVCP-XDNAFOTISA-N 2 2 392.935 0.776 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1=O ZINC001183373496 1205892059 /nfs/dbraw/zinc/89/20/59/1205892059.db2.gz WAPBOEJHPHEFRG-CALCHBBNSA-N 3 2 379.549 0.023 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1=O ZINC001183373496 1205892061 /nfs/dbraw/zinc/89/20/61/1205892061.db2.gz WAPBOEJHPHEFRG-CALCHBBNSA-N 3 2 379.549 0.023 20 0 GCADLP Nc1ccc(CCC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)c[nH+]1 ZINC001183939235 1205902471 /nfs/dbraw/zinc/90/24/71/1205902471.db2.gz KGINFBOLHQPKRP-UHFFFAOYSA-N 2 2 389.481 0.543 20 0 GCADLP CC(C)C[C@](C)(O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001183966640 1205903480 /nfs/dbraw/zinc/90/34/80/1205903480.db2.gz KPMGJRZTDBJPGB-IBGZPJMESA-N 2 2 382.549 0.480 20 0 GCADLP CC(C)C[C@](C)(O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001183966640 1205903482 /nfs/dbraw/zinc/90/34/82/1205903482.db2.gz KPMGJRZTDBJPGB-IBGZPJMESA-N 2 2 382.549 0.480 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCCC[C@H]3CO)CC2)C1=O ZINC001184159969 1205906204 /nfs/dbraw/zinc/90/62/04/1205906204.db2.gz FTBDIEFWRFDGAM-ROUUACIJSA-N 2 2 394.560 0.482 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCCC[C@H]3CO)CC2)C1=O ZINC001184159969 1205906205 /nfs/dbraw/zinc/90/62/05/1205906205.db2.gz FTBDIEFWRFDGAM-ROUUACIJSA-N 2 2 394.560 0.482 20 0 GCADLP CCOC(=O)C1=C(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)NC(=O)N[C@@H]1C ZINC000774732682 1205906909 /nfs/dbraw/zinc/90/69/09/1205906909.db2.gz YDAUKSVPKZZJIL-CQSZACIVSA-N 2 2 381.521 0.463 20 0 GCADLP CCOC(=O)C1=C(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)NC(=O)N[C@@H]1C ZINC000774732682 1205906911 /nfs/dbraw/zinc/90/69/11/1205906911.db2.gz YDAUKSVPKZZJIL-CQSZACIVSA-N 2 2 381.521 0.463 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001186353351 1205938263 /nfs/dbraw/zinc/93/82/63/1205938263.db2.gz GADBLWWDMVUPQI-KRWDZBQOSA-N 3 2 379.549 0.025 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001186353351 1205938265 /nfs/dbraw/zinc/93/82/65/1205938265.db2.gz GADBLWWDMVUPQI-KRWDZBQOSA-N 3 2 379.549 0.025 20 0 GCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001186353351 1205938267 /nfs/dbraw/zinc/93/82/67/1205938267.db2.gz GADBLWWDMVUPQI-KRWDZBQOSA-N 3 2 379.549 0.025 20 0 GCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001186353351 1205938269 /nfs/dbraw/zinc/93/82/69/1205938269.db2.gz GADBLWWDMVUPQI-KRWDZBQOSA-N 3 2 379.549 0.025 20 0 GCADLP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CC1 ZINC001186920974 1205952260 /nfs/dbraw/zinc/95/22/60/1205952260.db2.gz GBIGLKDVGZUKCP-UHFFFAOYSA-N 2 2 392.525 0.829 20 0 GCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322261 1205979413 /nfs/dbraw/zinc/97/94/13/1205979413.db2.gz HTIYLENYXWLMDR-CYGHRXIMSA-N 2 2 380.533 0.543 20 0 GCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322261 1205979414 /nfs/dbraw/zinc/97/94/14/1205979414.db2.gz HTIYLENYXWLMDR-CYGHRXIMSA-N 2 2 380.533 0.543 20 0 GCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322261 1205979418 /nfs/dbraw/zinc/97/94/18/1205979418.db2.gz HTIYLENYXWLMDR-CYGHRXIMSA-N 2 2 380.533 0.543 20 0 GCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322261 1205979419 /nfs/dbraw/zinc/97/94/19/1205979419.db2.gz HTIYLENYXWLMDR-CYGHRXIMSA-N 2 2 380.533 0.543 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(F)nc3)CC2)C1=O ZINC001188648327 1205988374 /nfs/dbraw/zinc/98/83/74/1205988374.db2.gz UHUSZJQBQNYABP-UHFFFAOYSA-N 2 2 377.464 0.531 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(F)nc3)CC2)C1=O ZINC001188648327 1205988376 /nfs/dbraw/zinc/98/83/76/1205988376.db2.gz UHUSZJQBQNYABP-UHFFFAOYSA-N 2 2 377.464 0.531 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(CO)o3)CC2)C1=O ZINC001189150451 1205998095 /nfs/dbraw/zinc/99/80/95/1205998095.db2.gz NVRDVSBGLYXVHP-UHFFFAOYSA-N 2 2 378.473 0.082 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(CO)o3)CC2)C1=O ZINC001189150451 1205998098 /nfs/dbraw/zinc/99/80/98/1205998098.db2.gz NVRDVSBGLYXVHP-UHFFFAOYSA-N 2 2 378.473 0.082 20 0 GCADLP CC(C)n1nccc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001189366073 1206004130 /nfs/dbraw/zinc/00/41/30/1206004130.db2.gz QQUBFDRAEVVTLN-UHFFFAOYSA-N 2 2 390.532 0.774 20 0 GCADLP CC(C)n1nccc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001189366073 1206004136 /nfs/dbraw/zinc/00/41/36/1206004136.db2.gz QQUBFDRAEVVTLN-UHFFFAOYSA-N 2 2 390.532 0.774 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001164703918 719844376 /nfs/dbraw/zinc/84/43/76/719844376.db2.gz REQUWYYBSCIQHM-KXBFYZLASA-N 2 2 375.473 0.355 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001164697787 719861145 /nfs/dbraw/zinc/86/11/45/719861145.db2.gz AQHFNMCWBPECGR-BEFAXECRSA-N 2 2 375.473 0.355 20 0 GCADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cn1 ZINC001164712314 720072884 /nfs/dbraw/zinc/07/28/84/720072884.db2.gz OOSGSTJAMSMVDK-DLBZAZTESA-N 2 2 381.484 0.951 20 0 GCADLP CCN(C)c1cc[nH+]c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164874363 721260687 /nfs/dbraw/zinc/26/06/87/721260687.db2.gz KTKVJBFATHCSRP-UHFFFAOYSA-N 2 2 390.532 0.940 20 0 GCADLP CCN(C)c1cc[nH+]c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164874363 721260694 /nfs/dbraw/zinc/26/06/94/721260694.db2.gz KTKVJBFATHCSRP-UHFFFAOYSA-N 2 2 390.532 0.940 20 0 GCADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164890583 721394553 /nfs/dbraw/zinc/39/45/53/721394553.db2.gz OLYAUUUTIVAXGS-LAUBAEHRSA-N 2 2 386.544 0.888 20 0 GCADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cc(C5C[NH2+]C5)ncn4)CCO3)C2)c1 ZINC001164915333 721801352 /nfs/dbraw/zinc/80/13/52/721801352.db2.gz WKCKOGAUTVBSLO-NRFANRHFSA-N 2 2 396.495 0.666 20 0 GCADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cc(C5C[NH2+]C5)ncn4)CCO3)C2)c1 ZINC001164915333 721801353 /nfs/dbraw/zinc/80/13/53/721801353.db2.gz WKCKOGAUTVBSLO-NRFANRHFSA-N 2 2 396.495 0.666 20 0 GCADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001164918864 721813445 /nfs/dbraw/zinc/81/34/45/721813445.db2.gz UGWNYMRTIYVFHA-UHFFFAOYSA-N 2 2 382.516 0.832 20 0 GCADLP C[NH+]1CCN(c2cccc(N3CCC[C@H]4CN(S(C)(=O)=O)C[C@@H]43)[nH+]2)CC1 ZINC001164949434 721984201 /nfs/dbraw/zinc/98/42/01/721984201.db2.gz QDTCVSDEZHDAHH-HOTGVXAUSA-N 2 2 379.530 0.694 20 0 GCADLP c1ccc(CC[NH+]2CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC2)nc1 ZINC001165056256 722016741 /nfs/dbraw/zinc/01/67/41/722016741.db2.gz QUUVTDDUJZUUJX-UHFFFAOYSA-N 2 2 395.511 0.676 20 0 GCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571259181 945377765 /nfs/dbraw/zinc/37/77/65/945377765.db2.gz DEOALZJLBRLLMB-KCXAZCMYSA-N 2 2 385.447 0.743 20 0 GCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571259181 945377775 /nfs/dbraw/zinc/37/77/75/945377775.db2.gz DEOALZJLBRLLMB-KCXAZCMYSA-N 2 2 385.447 0.743 20 0 GCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571259181 945377786 /nfs/dbraw/zinc/37/77/86/945377786.db2.gz DEOALZJLBRLLMB-KCXAZCMYSA-N 2 2 385.447 0.743 20 0 GCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571259181 945377796 /nfs/dbraw/zinc/37/77/96/945377796.db2.gz DEOALZJLBRLLMB-KCXAZCMYSA-N 2 2 385.447 0.743 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001571263804 945467006 /nfs/dbraw/zinc/46/70/06/945467006.db2.gz BIELABMGGNBPRB-HOCLYGCPSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001571263804 945467011 /nfs/dbraw/zinc/46/70/11/945467011.db2.gz BIELABMGGNBPRB-HOCLYGCPSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571263804 945467017 /nfs/dbraw/zinc/46/70/17/945467017.db2.gz BIELABMGGNBPRB-HOCLYGCPSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571263804 945467023 /nfs/dbraw/zinc/46/70/23/945467023.db2.gz BIELABMGGNBPRB-HOCLYGCPSA-N 2 2 385.472 0.518 20 0 GCADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571264087 945475609 /nfs/dbraw/zinc/47/56/09/945475609.db2.gz FTXWDGYWHGEEHG-JCYILVPMSA-N 2 2 385.472 0.276 20 0 GCADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571264087 945475615 /nfs/dbraw/zinc/47/56/15/945475615.db2.gz FTXWDGYWHGEEHG-JCYILVPMSA-N 2 2 385.472 0.276 20 0 GCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264400 945483895 /nfs/dbraw/zinc/48/38/95/945483895.db2.gz NWPSJONYVKMPPZ-SJORKVTESA-N 2 2 385.472 0.278 20 0 GCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264400 945483901 /nfs/dbraw/zinc/48/39/01/945483901.db2.gz NWPSJONYVKMPPZ-SJORKVTESA-N 2 2 385.472 0.278 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264400 945483906 /nfs/dbraw/zinc/48/39/06/945483906.db2.gz NWPSJONYVKMPPZ-SJORKVTESA-N 2 2 385.472 0.278 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264400 945483909 /nfs/dbraw/zinc/48/39/09/945483909.db2.gz NWPSJONYVKMPPZ-SJORKVTESA-N 2 2 385.472 0.278 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001571264528 945485335 /nfs/dbraw/zinc/48/53/35/945485335.db2.gz QRWSGPUVBSMDOS-BRWVUGGUSA-N 2 2 385.472 0.276 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001571264528 945485341 /nfs/dbraw/zinc/48/53/41/945485341.db2.gz QRWSGPUVBSMDOS-BRWVUGGUSA-N 2 2 385.472 0.276 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001571264528 945485344 /nfs/dbraw/zinc/48/53/44/945485344.db2.gz QRWSGPUVBSMDOS-BRWVUGGUSA-N 2 2 385.472 0.276 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001571264528 945485348 /nfs/dbraw/zinc/48/53/48/945485348.db2.gz QRWSGPUVBSMDOS-BRWVUGGUSA-N 2 2 385.472 0.276 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001571264868 945493671 /nfs/dbraw/zinc/49/36/71/945493671.db2.gz ZEBTUMGHIZUCIN-XYPHTWIQSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001571264868 945493677 /nfs/dbraw/zinc/49/36/77/945493677.db2.gz ZEBTUMGHIZUCIN-XYPHTWIQSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001571264868 945493680 /nfs/dbraw/zinc/49/36/80/945493680.db2.gz ZEBTUMGHIZUCIN-XYPHTWIQSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001571264868 945493683 /nfs/dbraw/zinc/49/36/83/945493683.db2.gz ZEBTUMGHIZUCIN-XYPHTWIQSA-N 2 2 385.472 0.134 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001571272255 945657581 /nfs/dbraw/zinc/65/75/81/945657581.db2.gz BWFCBEDRXUJPJY-CZUORRHYSA-N 2 2 386.460 0.067 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001571272255 945657583 /nfs/dbraw/zinc/65/75/83/945657583.db2.gz BWFCBEDRXUJPJY-CZUORRHYSA-N 2 2 386.460 0.067 20 0 GCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821627212 945755254 /nfs/dbraw/zinc/75/52/54/945755254.db2.gz RQCYDKUHNPVIBZ-UHFFFAOYSA-N 2 2 397.487 0.986 20 0 GCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821627212 945755263 /nfs/dbraw/zinc/75/52/63/945755263.db2.gz RQCYDKUHNPVIBZ-UHFFFAOYSA-N 2 2 397.487 0.986 20 0 GCADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821627334 945755530 /nfs/dbraw/zinc/75/55/30/945755530.db2.gz XLFDWBNNTHWBEV-GOSISDBHSA-N 2 2 398.515 0.541 20 0 GCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821627334 945755535 /nfs/dbraw/zinc/75/55/35/945755535.db2.gz XLFDWBNNTHWBEV-GOSISDBHSA-N 2 2 398.515 0.541 20 0 GCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821627363 945756082 /nfs/dbraw/zinc/75/60/82/945756082.db2.gz YOBSUNNTFQYDRP-UHFFFAOYSA-N 2 2 386.504 0.052 20 0 GCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821627363 945756113 /nfs/dbraw/zinc/75/61/13/945756113.db2.gz YOBSUNNTFQYDRP-UHFFFAOYSA-N 2 2 386.504 0.052 20 0 GCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826364563 948141199 /nfs/dbraw/zinc/14/11/99/948141199.db2.gz AQDFWJIHHGOHIQ-UHFFFAOYSA-N 2 2 381.444 0.751 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574943802 949381442 /nfs/dbraw/zinc/38/14/42/949381442.db2.gz YTPNTJGRTNVRLA-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574943802 949381464 /nfs/dbraw/zinc/38/14/64/949381464.db2.gz YTPNTJGRTNVRLA-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266538 949479940 /nfs/dbraw/zinc/47/99/40/949479940.db2.gz ZCEGVLFEHRYYRI-SUMWQHHRSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266538 949479956 /nfs/dbraw/zinc/47/99/56/949479956.db2.gz ZCEGVLFEHRYYRI-SUMWQHHRSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574959357 949707094 /nfs/dbraw/zinc/70/70/94/949707094.db2.gz QIFWZPQMIXIRPX-APHBMKBZSA-N 2 2 380.456 0.998 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574960369 949725926 /nfs/dbraw/zinc/72/59/26/949725926.db2.gz WPTJLQHLBHHYDK-DAXOMENPSA-N 2 2 380.456 0.998 20 0 GCADLP C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574484639 949893723 /nfs/dbraw/zinc/89/37/23/949893723.db2.gz LCMFPINNLRZGDK-UONOGXRCSA-N 2 2 381.444 0.934 20 0 GCADLP C[C@@H](CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574485680 949928352 /nfs/dbraw/zinc/92/83/52/949928352.db2.gz YUVKVJVTWRVSBG-KBPBESRZSA-N 2 2 381.444 0.934 20 0 GCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574728669 950000521 /nfs/dbraw/zinc/00/05/21/950000521.db2.gz GSJKLJIPSRWWAU-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574494757 950185401 /nfs/dbraw/zinc/18/54/01/950185401.db2.gz NVYICVINXMRETA-BBRMVZONSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575901678 950237967 /nfs/dbraw/zinc/23/79/67/950237967.db2.gz PSRVZXZGJPAGLB-BLLLJJGKSA-N 2 2 384.419 0.982 20 0 GCADLP C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574499742 950303836 /nfs/dbraw/zinc/30/38/36/950303836.db2.gz WQIHAGZLRQGXBM-ZFWWWQNUSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574499739 950304046 /nfs/dbraw/zinc/30/40/46/950304046.db2.gz WQIHAGZLRQGXBM-DZGCQCFKSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574499741 950305282 /nfs/dbraw/zinc/30/52/82/950305282.db2.gz WQIHAGZLRQGXBM-UKRRQHHQSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575906966 950322300 /nfs/dbraw/zinc/32/23/00/950322300.db2.gz LFDJZFWHNNPYCJ-SUMWQHHRSA-N 2 2 380.456 0.922 20 0 GCADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575907556 950337588 /nfs/dbraw/zinc/33/75/88/950337588.db2.gz PDGSYCFPOGVDOA-BXUZGUMPSA-N 2 2 386.485 0.983 20 0 GCADLP CC1CC[NH+](CC(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576197441 950391400 /nfs/dbraw/zinc/39/14/00/950391400.db2.gz NYDFDCWTGNJJNE-OAHLLOKOSA-N 2 2 384.488 0.818 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001576204112 950458223 /nfs/dbraw/zinc/45/82/23/950458223.db2.gz LYFGGGQQDQGZOT-CJNGLKHVSA-N 2 2 386.504 0.968 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001576204112 950458243 /nfs/dbraw/zinc/45/82/43/950458243.db2.gz LYFGGGQQDQGZOT-CJNGLKHVSA-N 2 2 386.504 0.968 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205850 950544068 /nfs/dbraw/zinc/54/40/68/950544068.db2.gz QIWPUXNPVYJFNQ-LSDHHAIUSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205850 950544085 /nfs/dbraw/zinc/54/40/85/950544085.db2.gz QIWPUXNPVYJFNQ-LSDHHAIUSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575000023 950589350 /nfs/dbraw/zinc/58/93/50/950589350.db2.gz OHPAPOMFVNEUBF-LLVKDONJSA-N 2 2 385.432 0.211 20 0 GCADLP C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574519433 950680478 /nfs/dbraw/zinc/68/04/78/950680478.db2.gz VPSJAESRIXFHEF-IHRRRGAJSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077585 951671506 /nfs/dbraw/zinc/67/15/06/951671506.db2.gz GUEVRSKCDNMIDX-GFCCVEGCSA-N 2 2 386.435 0.824 20 0 GCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080458 951709758 /nfs/dbraw/zinc/70/97/58/951709758.db2.gz MHUOWGGJBXJHSJ-GFCCVEGCSA-N 2 2 386.435 0.824 20 0 GCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081136 951720283 /nfs/dbraw/zinc/72/02/83/951720283.db2.gz OMPXOGLFVLJOBK-MLGOLLRUSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081136 951720292 /nfs/dbraw/zinc/72/02/92/951720292.db2.gz OMPXOGLFVLJOBK-MLGOLLRUSA-N 2 2 391.451 0.178 20 0 GCADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571141926 952636939 /nfs/dbraw/zinc/63/69/39/952636939.db2.gz KPVAWPNMYKCIEF-UHFFFAOYSA-N 2 2 378.440 0.867 20 0 GCADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571141926 952636941 /nfs/dbraw/zinc/63/69/41/952636941.db2.gz KPVAWPNMYKCIEF-UHFFFAOYSA-N 2 2 378.440 0.867 20 0 GCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571170048 952783296 /nfs/dbraw/zinc/78/32/96/952783296.db2.gz RLHKDHRMRJLCKJ-CXAGYDPISA-N 2 2 380.456 0.779 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571188549 952916770 /nfs/dbraw/zinc/91/67/70/952916770.db2.gz DEBREKMSARQINA-UHFFFAOYSA-N 2 2 381.444 0.894 20 0 GCADLP Cc1cc(N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189494 952928958 /nfs/dbraw/zinc/92/89/58/952928958.db2.gz WAIFHOCXIPEOGI-CQSZACIVSA-N 2 2 381.444 0.607 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571212418 953088468 /nfs/dbraw/zinc/08/84/68/953088468.db2.gz LLDCRWUOOJMGAZ-YESZJQIVSA-N 2 2 382.472 0.926 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571212418 953088474 /nfs/dbraw/zinc/08/84/74/953088474.db2.gz LLDCRWUOOJMGAZ-YESZJQIVSA-N 2 2 382.472 0.926 20 0 GCADLP Cc1cc(N2CC[C@@H]([NH+]3CCN(C(=O)C4CC4)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571212540 953088768 /nfs/dbraw/zinc/08/87/68/953088768.db2.gz MYRVROWMCHSHBG-OAHLLOKOSA-N 2 2 382.472 0.703 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2[C@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571219351 953125045 /nfs/dbraw/zinc/12/50/45/953125045.db2.gz XRVPBBSCUWWHAK-ZBFHGGJFSA-N 2 2 382.472 0.785 20 0 GCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571222430 953134733 /nfs/dbraw/zinc/13/47/33/953134733.db2.gz FJBGSPRUUDFRGX-XYPYZODXSA-N 2 2 383.416 0.106 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571241719 953248593 /nfs/dbraw/zinc/24/85/93/953248593.db2.gz JNVJOAGHBITFFP-NNUKFRKNSA-N 2 2 384.419 0.887 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571241735 953248609 /nfs/dbraw/zinc/24/86/09/953248609.db2.gz KEYXYANHWQKJRJ-HNNXBMFYSA-N 2 2 384.419 0.901 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571241735 953248610 /nfs/dbraw/zinc/24/86/10/953248610.db2.gz KEYXYANHWQKJRJ-HNNXBMFYSA-N 2 2 384.419 0.901 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571241840 953250387 /nfs/dbraw/zinc/25/03/87/953250387.db2.gz MUBXOABZQLPBFA-CQSZACIVSA-N 2 2 384.419 0.841 20 0 GCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000570890743 530327492 /nfs/dbraw/zinc/32/74/92/530327492.db2.gz CGIJQDVWICZOPS-HNNXBMFYSA-N 2 2 391.559 0.430 20 0 GCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000570890743 530327494 /nfs/dbraw/zinc/32/74/94/530327494.db2.gz CGIJQDVWICZOPS-HNNXBMFYSA-N 2 2 391.559 0.430 20 0 GCADLP CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)C[NH3+])c2)CC1 ZINC000277126439 530329459 /nfs/dbraw/zinc/32/94/59/530329459.db2.gz XXKNKIQTNDWXHQ-LBPRGKRZSA-N 2 2 388.921 0.743 20 0 GCADLP Cn1ncc(Br)c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000278521690 530341408 /nfs/dbraw/zinc/34/14/08/530341408.db2.gz QILGYVPYRUXASF-GFCCVEGCSA-N 2 2 386.294 0.205 20 0 GCADLP C[N@@H+]1CCN(C(=O)COc2ccc(I)cc2)[C@@H](C[NH3+])C1 ZINC000592308927 530415237 /nfs/dbraw/zinc/41/52/37/530415237.db2.gz JPGKQAZGSSOFDR-LBPRGKRZSA-N 2 2 389.237 0.771 20 0 GCADLP C[N@H+]1CCN(C(=O)COc2ccc(I)cc2)[C@@H](C[NH3+])C1 ZINC000592308927 530415238 /nfs/dbraw/zinc/41/52/38/530415238.db2.gz JPGKQAZGSSOFDR-LBPRGKRZSA-N 2 2 389.237 0.771 20 0 GCADLP Cc1nnsc1C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000638371485 530424637 /nfs/dbraw/zinc/42/46/37/530424637.db2.gz SYWQVQJIWQJASJ-UHFFFAOYSA-N 2 2 382.515 0.483 20 0 GCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000417229597 530515951 /nfs/dbraw/zinc/51/59/51/530515951.db2.gz XWPQRDQQWZLZOY-UHFFFAOYSA-N 2 2 380.246 0.981 20 0 GCADLP CN(CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(=O)c1ccc(Br)s1 ZINC000566618865 530532528 /nfs/dbraw/zinc/53/25/28/530532528.db2.gz LJYCSYDDJABNFJ-SNVBAGLBSA-N 2 2 389.319 0.684 20 0 GCADLP CN(CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(=O)c1ccc(Br)s1 ZINC000566618865 530532531 /nfs/dbraw/zinc/53/25/31/530532531.db2.gz LJYCSYDDJABNFJ-SNVBAGLBSA-N 2 2 389.319 0.684 20 0 GCADLP C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000568646413 530561700 /nfs/dbraw/zinc/56/17/00/530561700.db2.gz FQOLYCUUJDCFLV-MRXNPFEDSA-N 2 2 375.535 0.224 20 0 GCADLP C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000568646413 530561704 /nfs/dbraw/zinc/56/17/04/530561704.db2.gz FQOLYCUUJDCFLV-MRXNPFEDSA-N 2 2 375.535 0.224 20 0 GCADLP CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CCOC)CC1 ZINC000573016220 530574333 /nfs/dbraw/zinc/57/43/33/530574333.db2.gz KSOPZIRZRLXXIM-DOTOQJQBSA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC)CC1 ZINC000573016220 530574335 /nfs/dbraw/zinc/57/43/35/530574335.db2.gz KSOPZIRZRLXXIM-DOTOQJQBSA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000573016220 530574337 /nfs/dbraw/zinc/57/43/37/530574337.db2.gz KSOPZIRZRLXXIM-DOTOQJQBSA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000573016220 530574340 /nfs/dbraw/zinc/57/43/40/530574340.db2.gz KSOPZIRZRLXXIM-DOTOQJQBSA-N 2 2 379.567 0.308 20 0 GCADLP O=S(=O)(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000629579137 530581567 /nfs/dbraw/zinc/58/15/67/530581567.db2.gz ZGCVRDAKRVODGM-CYBMUJFWSA-N 2 2 379.885 0.804 20 0 GCADLP C[NH+](C[C@H](O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F)C1CC1 ZINC000451990464 530595534 /nfs/dbraw/zinc/59/55/34/530595534.db2.gz QJFUNUJLBCZRAE-CYBMUJFWSA-N 2 2 375.466 0.239 20 0 GCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F)C1CC1 ZINC000451990464 530595538 /nfs/dbraw/zinc/59/55/38/530595538.db2.gz QJFUNUJLBCZRAE-CYBMUJFWSA-N 2 2 375.466 0.239 20 0 GCADLP C[NH+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451990464 530595541 /nfs/dbraw/zinc/59/55/41/530595541.db2.gz QJFUNUJLBCZRAE-CYBMUJFWSA-N 2 2 375.466 0.239 20 0 GCADLP C[NH+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000451990464 530595543 /nfs/dbraw/zinc/59/55/43/530595543.db2.gz QJFUNUJLBCZRAE-CYBMUJFWSA-N 2 2 375.466 0.239 20 0 GCADLP O=S(=O)(CCCS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1)Nc1c[nH+]c[nH]1 ZINC000576527825 530609483 /nfs/dbraw/zinc/60/94/83/530609483.db2.gz AMTJKDSOFQOZRS-ZDUSSCGKSA-N 2 2 391.519 0.041 20 0 GCADLP O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Nc1c[nH+]c[nH]1 ZINC000576527823 530609894 /nfs/dbraw/zinc/60/98/94/530609894.db2.gz AMTJKDSOFQOZRS-CYBMUJFWSA-N 2 2 391.519 0.041 20 0 GCADLP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000520351299 530610291 /nfs/dbraw/zinc/61/02/91/530610291.db2.gz XATQBAXHMQCODY-CQSZACIVSA-N 2 2 398.305 0.865 20 0 GCADLP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000520351299 530610295 /nfs/dbraw/zinc/61/02/95/530610295.db2.gz XATQBAXHMQCODY-CQSZACIVSA-N 2 2 398.305 0.865 20 0 GCADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629581207 530584334 /nfs/dbraw/zinc/58/43/34/530584334.db2.gz RNROSBBGGLWKFS-OAHLLOKOSA-N 2 2 375.922 0.973 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@H](C)O1 ZINC000577842867 530625249 /nfs/dbraw/zinc/62/52/49/530625249.db2.gz JRGKBEJQBDLZDV-QXSJWSMHSA-N 2 2 375.535 0.003 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@H](C)O1 ZINC000577842867 530625250 /nfs/dbraw/zinc/62/52/50/530625250.db2.gz JRGKBEJQBDLZDV-QXSJWSMHSA-N 2 2 375.535 0.003 20 0 GCADLP NS(=O)(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000332438364 530646628 /nfs/dbraw/zinc/64/66/28/530646628.db2.gz AJFBMTYBIGBXKW-UHFFFAOYSA-N 2 2 386.543 0.145 20 0 GCADLP CC1CCC(NS(=O)(=O)CC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617767112 530664731 /nfs/dbraw/zinc/66/47/31/530664731.db2.gz HKKICABSBPSOCN-UHFFFAOYSA-N 2 2 376.567 0.484 20 0 GCADLP CC1CCC(NS(=O)(=O)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617767112 530664733 /nfs/dbraw/zinc/66/47/33/530664733.db2.gz HKKICABSBPSOCN-UHFFFAOYSA-N 2 2 376.567 0.484 20 0 GCADLP C[NH+](C)C1CCC(NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000579024724 530737907 /nfs/dbraw/zinc/73/79/07/530737907.db2.gz NPPXCEQBSNNHQU-UHFFFAOYSA-N 2 2 393.535 0.334 20 0 GCADLP C[C@@H]1C[N@H+](CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[C@H](C)O1 ZINC000579236038 530739951 /nfs/dbraw/zinc/73/99/51/530739951.db2.gz STDZUZBTUCAXAS-GASCZTMLSA-N 2 2 375.535 0.159 20 0 GCADLP C[C@H]1C[NH+](CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[C@H](C)O1 ZINC000579236039 530740052 /nfs/dbraw/zinc/74/00/52/530740052.db2.gz STDZUZBTUCAXAS-GJZGRUSLSA-N 2 2 375.535 0.159 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000370368451 530741513 /nfs/dbraw/zinc/74/15/13/530741513.db2.gz UFOPYJLMNZOQKE-UHFFFAOYSA-N 2 2 375.535 0.083 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000579350934 530741794 /nfs/dbraw/zinc/74/17/94/530741794.db2.gz ABEWDJDCIUINMO-LSDHHAIUSA-N 2 2 395.301 0.903 20 0 GCADLP C[C@]1(O)CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000373429601 530780539 /nfs/dbraw/zinc/78/05/39/530780539.db2.gz CVFZJHMPJJSXQM-ROUUACIJSA-N 2 2 376.563 0.875 20 0 GCADLP C[C@]1(O)CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000373429601 530780540 /nfs/dbraw/zinc/78/05/40/530780540.db2.gz CVFZJHMPJJSXQM-ROUUACIJSA-N 2 2 376.563 0.875 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@H](C[NH3+])C1 ZINC000582903923 530856162 /nfs/dbraw/zinc/85/61/62/530856162.db2.gz RMVRGFRGOQDQGJ-OLZOCXBDSA-N 2 2 395.301 0.903 20 0 GCADLP CC[N@@H+]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1C ZINC000583155494 530861069 /nfs/dbraw/zinc/86/10/69/530861069.db2.gz UHLNFCWLTUPCLW-OLZOCXBDSA-N 2 2 393.535 0.286 20 0 GCADLP CC[N@H+]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1C ZINC000583155494 530861073 /nfs/dbraw/zinc/86/10/73/530861073.db2.gz UHLNFCWLTUPCLW-OLZOCXBDSA-N 2 2 393.535 0.286 20 0 GCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000657093023 530874964 /nfs/dbraw/zinc/87/49/64/530874964.db2.gz WLRVGVAOEMSMMO-UHFFFAOYSA-N 2 2 391.559 0.393 20 0 GCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000657093023 530874968 /nfs/dbraw/zinc/87/49/68/530874968.db2.gz WLRVGVAOEMSMMO-UHFFFAOYSA-N 2 2 391.559 0.393 20 0 GCADLP CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656374601 530839671 /nfs/dbraw/zinc/83/96/71/530839671.db2.gz ASKXUOCOSWNIEH-CYBMUJFWSA-N 2 2 393.535 0.287 20 0 GCADLP CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656374601 530839675 /nfs/dbraw/zinc/83/96/75/530839675.db2.gz ASKXUOCOSWNIEH-CYBMUJFWSA-N 2 2 393.535 0.287 20 0 GCADLP C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000656382809 530842701 /nfs/dbraw/zinc/84/27/01/530842701.db2.gz SBBQXWZQQHVWMN-OLZOCXBDSA-N 2 2 393.535 0.334 20 0 GCADLP CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000657601083 530898657 /nfs/dbraw/zinc/89/86/57/530898657.db2.gz AWBQOLABRLZBBW-WBVHZDCISA-N 2 2 387.933 0.993 20 0 GCADLP Nc1nc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc(N)[nH+]1 ZINC000624038549 530917341 /nfs/dbraw/zinc/91/73/41/530917341.db2.gz MAMGYWGBXGOQQF-UHFFFAOYSA-N 2 2 378.278 0.958 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCN(C)S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000584716971 530922141 /nfs/dbraw/zinc/92/21/41/530922141.db2.gz PZDZTORAPVGBRL-ZNMIVQPWSA-N 2 2 391.559 0.428 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCN(C)S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000584716971 530922142 /nfs/dbraw/zinc/92/21/42/530922142.db2.gz PZDZTORAPVGBRL-ZNMIVQPWSA-N 2 2 391.559 0.428 20 0 GCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419982018 530964431 /nfs/dbraw/zinc/96/44/31/530964431.db2.gz AVTBKHYWKOJDGK-GXFFZTMASA-N 2 2 394.273 0.957 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CC[NH2+]CC3)[nH+]c12 ZINC000419035660 530952783 /nfs/dbraw/zinc/95/27/83/530952783.db2.gz AMDACPAEPSYDOT-UHFFFAOYSA-N 2 2 380.246 0.453 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CCC([NH3+])CC3)[nH+]c12 ZINC000419043259 530953188 /nfs/dbraw/zinc/95/31/88/530953188.db2.gz NEFKZSLHLRXZAR-UHFFFAOYSA-N 2 2 394.273 0.971 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@H](C)C[NH3+])[nH+]c12 ZINC000419047544 530953450 /nfs/dbraw/zinc/95/34/50/530953450.db2.gz YJOIYLOZWDAGLA-SECBINFHSA-N 2 2 382.262 0.732 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419047325 530953466 /nfs/dbraw/zinc/95/34/66/530953466.db2.gz XVGBWNKMPILMQD-UHFFFAOYSA-N 2 2 396.289 0.790 20 0 GCADLP C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000571802479 530981513 /nfs/dbraw/zinc/98/15/13/530981513.db2.gz SZSFTXWDWJBAQD-SNVBAGLBSA-N 2 2 395.312 0.373 20 0 GCADLP C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000571802479 530981520 /nfs/dbraw/zinc/98/15/20/530981520.db2.gz SZSFTXWDWJBAQD-SNVBAGLBSA-N 2 2 395.312 0.373 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000186555601 530967132 /nfs/dbraw/zinc/96/71/32/530967132.db2.gz XEPQZKXDTJDKGQ-UHFFFAOYSA-N 2 2 379.477 0.795 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000186555601 530967134 /nfs/dbraw/zinc/96/71/34/530967134.db2.gz XEPQZKXDTJDKGQ-UHFFFAOYSA-N 2 2 379.477 0.795 20 0 GCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301060 530988830 /nfs/dbraw/zinc/98/88/30/530988830.db2.gz VXUPHTLLRAYMEP-IAGOWNOFSA-N 2 2 377.551 0.252 20 0 GCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301060 530988832 /nfs/dbraw/zinc/98/88/32/530988832.db2.gz VXUPHTLLRAYMEP-IAGOWNOFSA-N 2 2 377.551 0.252 20 0 GCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301060 530988836 /nfs/dbraw/zinc/98/88/36/530988836.db2.gz VXUPHTLLRAYMEP-IAGOWNOFSA-N 2 2 377.551 0.252 20 0 GCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301060 530988838 /nfs/dbraw/zinc/98/88/38/530988838.db2.gz VXUPHTLLRAYMEP-IAGOWNOFSA-N 2 2 377.551 0.252 20 0 GCADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@H](O)CO ZINC000662288794 531019686 /nfs/dbraw/zinc/01/96/86/531019686.db2.gz KLSXUFGFFCXHCY-NSHDSACASA-N 2 2 378.242 0.531 20 0 GCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@H](O)CO ZINC000662288794 531019688 /nfs/dbraw/zinc/01/96/88/531019688.db2.gz KLSXUFGFFCXHCY-NSHDSACASA-N 2 2 378.242 0.531 20 0 GCADLP CCS(=O)(=O)NCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000538046560 531029686 /nfs/dbraw/zinc/02/96/86/531029686.db2.gz YLJLXUPRRZMDDJ-HOTGVXAUSA-N 2 2 377.551 0.516 20 0 GCADLP CCN(C(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430596579 531113455 /nfs/dbraw/zinc/11/34/55/531113455.db2.gz JPPGKNHBKDEAOA-CABCVRRESA-N 2 2 375.535 0.240 20 0 GCADLP CNS(=O)(=O)c1csc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673991394 531120796 /nfs/dbraw/zinc/12/07/96/531120796.db2.gz MBRSKBMWKMNVHK-GFCCVEGCSA-N 2 2 386.543 0.555 20 0 GCADLP CNS(=O)(=O)c1csc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673991394 531120799 /nfs/dbraw/zinc/12/07/99/531120799.db2.gz MBRSKBMWKMNVHK-GFCCVEGCSA-N 2 2 386.543 0.555 20 0 GCADLP C[C@H](C(=O)NCCN(C)C(=O)[C@@H](C)[NH+]1CCSCC1)[NH+]1CCSCC1 ZINC000438360884 531153519 /nfs/dbraw/zinc/15/35/19/531153519.db2.gz DKFQFKLMVYTCBG-HUUCEWRRSA-N 2 2 388.603 0.436 20 0 GCADLP C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H](C)[N@H+]1C ZINC000565726409 531189431 /nfs/dbraw/zinc/18/94/31/531189431.db2.gz SWWCZTKIYVMPGJ-BETUJISGSA-N 2 2 393.535 0.286 20 0 GCADLP C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H](C)[N@@H+]1C ZINC000565726409 531189445 /nfs/dbraw/zinc/18/94/45/531189445.db2.gz SWWCZTKIYVMPGJ-BETUJISGSA-N 2 2 393.535 0.286 20 0 GCADLP C[C@H](C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000565770432 531189737 /nfs/dbraw/zinc/18/97/37/531189737.db2.gz UTKAFCLHOYDBQA-CQSZACIVSA-N 2 2 389.543 0.145 20 0 GCADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736800564 599079758 /nfs/dbraw/zinc/07/97/58/599079758.db2.gz MXQPHJWVRMVPDO-KRWDZBQOSA-N 2 2 390.488 0.385 20 0 GCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736800564 599079761 /nfs/dbraw/zinc/07/97/61/599079761.db2.gz MXQPHJWVRMVPDO-KRWDZBQOSA-N 2 2 390.488 0.385 20 0 GCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736571428 598253445 /nfs/dbraw/zinc/25/34/45/598253445.db2.gz RFDFERPFUKATGJ-UHFFFAOYSA-N 2 2 398.515 0.589 20 0 GCADLP C[NH+]1CCN(CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736863116 598624318 /nfs/dbraw/zinc/62/43/18/598624318.db2.gz IUMWXXXJPUTRDP-UHFFFAOYSA-N 2 2 398.515 0.148 20 0 GCADLP C[NH+]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736863116 598624321 /nfs/dbraw/zinc/62/43/21/598624321.db2.gz IUMWXXXJPUTRDP-UHFFFAOYSA-N 2 2 398.515 0.148 20 0 GCADLP C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736171521 598768492 /nfs/dbraw/zinc/76/84/92/598768492.db2.gz WVZIVBIBYDISBN-GDBMZVCRSA-N 2 2 399.499 0.919 20 0 GCADLP C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736171521 598768494 /nfs/dbraw/zinc/76/84/94/598768494.db2.gz WVZIVBIBYDISBN-GDBMZVCRSA-N 2 2 399.499 0.919 20 0 GCADLP COc1ccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1-c1nn[nH]n1 ZINC000821802982 599434474 /nfs/dbraw/zinc/43/44/74/599434474.db2.gz AGNCSOJKXLDRRX-UHFFFAOYSA-N 2 2 387.488 0.908 20 0 GCADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000738422332 599491576 /nfs/dbraw/zinc/49/15/76/599491576.db2.gz WOJVSFDFOGIAHN-MRXNPFEDSA-N 2 2 397.487 0.011 20 0 GCADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000823796718 599555494 /nfs/dbraw/zinc/55/54/94/599555494.db2.gz FDPHXCHHZBHXKM-CQSZACIVSA-N 2 2 381.440 0.952 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000819868470 606078785 /nfs/dbraw/zinc/07/87/85/606078785.db2.gz YQPHYRMAKLLNEX-HNNXBMFYSA-N 2 2 386.504 0.763 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000819868470 606078790 /nfs/dbraw/zinc/07/87/90/606078790.db2.gz YQPHYRMAKLLNEX-HNNXBMFYSA-N 2 2 386.504 0.763 20 0 GCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821181071 606895743 /nfs/dbraw/zinc/89/57/43/606895743.db2.gz JOFAYWFLZWEDQL-KRWDZBQOSA-N 2 2 387.488 0.386 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000821623711 607074201 /nfs/dbraw/zinc/07/42/01/607074201.db2.gz QVXJKQSVUSEZGB-KRWDZBQOSA-N 2 2 394.483 0.858 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000821623711 607074203 /nfs/dbraw/zinc/07/42/03/607074203.db2.gz QVXJKQSVUSEZGB-KRWDZBQOSA-N 2 2 394.483 0.858 20 0 GCADLP C[C@H](C[NH2+]Cc1cn(C)nc1I)N1CC[NH+](C)CC1 ZINC000894241965 638685061 /nfs/dbraw/zinc/68/50/61/638685061.db2.gz FPNQCSYOSLPEER-LLVKDONJSA-N 2 2 377.274 0.750 20 0 GCADLP CC(C)[NH+](CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000069148717 639958636 /nfs/dbraw/zinc/95/86/36/639958636.db2.gz DWQLRNAOFDFNDO-UHFFFAOYSA-N 2 2 376.567 0.913 20 0 GCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3ncc(I)cn3)CC2)C1 ZINC000923413620 640137402 /nfs/dbraw/zinc/13/74/02/640137402.db2.gz WKOXILUUOBWQSD-SRVKXCTJSA-N 2 2 389.241 0.054 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000839674348 640510208 /nfs/dbraw/zinc/51/02/08/640510208.db2.gz MTDQPVJBNKWPBB-FZDBZEDMSA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000839674348 640510213 /nfs/dbraw/zinc/51/02/13/640510213.db2.gz MTDQPVJBNKWPBB-FZDBZEDMSA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[N@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@H](CO)[C@@H]1C ZINC000839674348 640510217 /nfs/dbraw/zinc/51/02/17/640510217.db2.gz MTDQPVJBNKWPBB-FZDBZEDMSA-N 2 2 376.563 0.587 20 0 GCADLP C[C@@H]1[C@H](CO)CCC[N@@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@H](CO)[C@@H]1C ZINC000839674348 640510219 /nfs/dbraw/zinc/51/02/19/640510219.db2.gz MTDQPVJBNKWPBB-FZDBZEDMSA-N 2 2 376.563 0.587 20 0 GCADLP [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1cccc(Br)c1 ZINC000870939978 641448114 /nfs/dbraw/zinc/44/81/14/641448114.db2.gz DVIGHOXATKPRHH-GDBMZVCRSA-N 2 2 395.301 0.872 20 0 GCADLP CN(C(=O)c1c(Br)nnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000810551095 641732743 /nfs/dbraw/zinc/73/27/43/641732743.db2.gz NIOPKXIFJHMYHK-LBPRGKRZSA-N 2 2 385.310 0.818 20 0 GCADLP CN(C(=O)c1c(Br)nnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000810551095 641732744 /nfs/dbraw/zinc/73/27/44/641732744.db2.gz NIOPKXIFJHMYHK-LBPRGKRZSA-N 2 2 385.310 0.818 20 0 GCADLP O[C@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(F)(F)C(F)(F)F ZINC000883360041 641751778 /nfs/dbraw/zinc/75/17/78/641751778.db2.gz SJXJSFUVUJWPBA-CYBMUJFWSA-N 2 2 375.382 0.931 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884188308 641777296 /nfs/dbraw/zinc/77/72/96/641777296.db2.gz DQDXZMFARQQZKM-OAHLLOKOSA-N 2 2 383.290 0.729 20 0 GCADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959853 641892954 /nfs/dbraw/zinc/89/29/54/641892954.db2.gz JSBKQSPCFIOUEZ-ABAIWWIYSA-N 2 2 375.516 0.800 20 0 GCADLP O=S(=O)(CC[NH+]1CCCC[C@H]1CCO)CC[N@H+]1CCCC[C@H]1CCO ZINC000245802431 642061183 /nfs/dbraw/zinc/06/11/83/642061183.db2.gz KQQVSSRBJKTMRY-ROUUACIJSA-N 2 2 376.563 0.875 20 0 GCADLP O=S(=O)(CC[NH+]1CCCC[C@H]1CCO)CC[N@@H+]1CCCC[C@H]1CCO ZINC000245802431 642061188 /nfs/dbraw/zinc/06/11/88/642061188.db2.gz KQQVSSRBJKTMRY-ROUUACIJSA-N 2 2 376.563 0.875 20 0 GCADLP NC(=O)CC1CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000048025494 1192166041 /nfs/dbraw/zinc/16/60/41/1192166041.db2.gz JHHCHVADGOTYFI-UHFFFAOYSA-N 2 2 388.512 0.722 20 0 GCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000652351180 1192202290 /nfs/dbraw/zinc/20/22/90/1192202290.db2.gz KGAXEWCLHPFRAY-KSSFIOAISA-N 2 2 380.514 0.950 20 0 GCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000652351180 1192202292 /nfs/dbraw/zinc/20/22/92/1192202292.db2.gz KGAXEWCLHPFRAY-KSSFIOAISA-N 2 2 380.514 0.950 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000670814343 1192238717 /nfs/dbraw/zinc/23/87/17/1192238717.db2.gz PKSRTGVTVDVSDF-QZTJIDSGSA-N 2 2 380.533 0.546 20 0 GCADLP O=S(=O)(Cc1ccon1)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662257551 1192271995 /nfs/dbraw/zinc/27/19/95/1192271995.db2.gz PQJYCKKNKDDGJZ-UHFFFAOYSA-N 2 2 376.482 0.968 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(F)c3F)C2)CC1 ZINC000636707676 1192275025 /nfs/dbraw/zinc/27/50/25/1192275025.db2.gz QVJZBDXNZNJGMA-CQSZACIVSA-N 2 2 380.439 0.866 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(F)c3F)C2)CC1 ZINC000636707676 1192275030 /nfs/dbraw/zinc/27/50/30/1192275030.db2.gz QVJZBDXNZNJGMA-CQSZACIVSA-N 2 2 380.439 0.866 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[N@@H+]1C ZINC000636700379 1192271178 /nfs/dbraw/zinc/27/11/78/1192271178.db2.gz AFELZMZAQRNZDB-GDBMZVCRSA-N 2 2 391.541 0.850 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[N@H+]1C ZINC000636700379 1192271180 /nfs/dbraw/zinc/27/11/80/1192271180.db2.gz AFELZMZAQRNZDB-GDBMZVCRSA-N 2 2 391.541 0.850 20 0 GCADLP C[C@@H](NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)C(=O)N(C)C ZINC000662328825 1192285780 /nfs/dbraw/zinc/28/57/80/1192285780.db2.gz VKKYZUBUNWTJMQ-CQSZACIVSA-N 2 2 390.532 0.649 20 0 GCADLP C[C@@H](NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C(=O)N(C)C ZINC000662328825 1192285784 /nfs/dbraw/zinc/28/57/84/1192285784.db2.gz VKKYZUBUNWTJMQ-CQSZACIVSA-N 2 2 390.532 0.649 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662365396 1192286213 /nfs/dbraw/zinc/28/62/13/1192286213.db2.gz SBRKEHGRPHJXMX-UHFFFAOYSA-N 2 2 396.455 0.781 20 0 GCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC[NH+](C)C ZINC001719830279 1192294260 /nfs/dbraw/zinc/29/42/60/1192294260.db2.gz JVTHOLLVDPBYBG-SIXLDLHFSA-N 2 2 377.489 0.415 20 0 GCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC[NH+](C)C ZINC001719830279 1192294263 /nfs/dbraw/zinc/29/42/63/1192294263.db2.gz JVTHOLLVDPBYBG-SIXLDLHFSA-N 2 2 377.489 0.415 20 0 GCADLP 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]3c3c[nH+]cn3C)C2)O1 ZINC000979989870 1192298091 /nfs/dbraw/zinc/29/80/91/1192298091.db2.gz DQIRTKIDZQOKSY-KRIAZEKOSA-N 2 2 389.500 0.254 20 0 GCADLP 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]3c3c[nH+]cn3C)C2)O1 ZINC000979989870 1192298094 /nfs/dbraw/zinc/29/80/94/1192298094.db2.gz DQIRTKIDZQOKSY-KRIAZEKOSA-N 2 2 389.500 0.254 20 0 GCADLP OC1CC[NH+](CCCNc2cc(NCCC[NH+]3CCC(O)CC3)[nH+]cn2)CC1 ZINC000663402628 1192323434 /nfs/dbraw/zinc/32/34/34/1192323434.db2.gz NZGNDASRICENOW-UHFFFAOYSA-N 3 2 392.548 0.994 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663543524 1192380943 /nfs/dbraw/zinc/38/09/43/1192380943.db2.gz YKBXPGRKFNUGJG-UHFFFAOYSA-N 2 2 390.532 0.818 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663543524 1192380949 /nfs/dbraw/zinc/38/09/49/1192380949.db2.gz YKBXPGRKFNUGJG-UHFFFAOYSA-N 2 2 390.532 0.818 20 0 GCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663558327 1192387998 /nfs/dbraw/zinc/38/79/98/1192387998.db2.gz OYRWOBHIQCBUKS-GOSISDBHSA-N 2 2 381.565 0.909 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278999052 1192432274 /nfs/dbraw/zinc/43/22/74/1192432274.db2.gz MBGBFRLWCZOKJW-OAHLLOKOSA-N 2 2 376.505 0.503 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278999052 1192432276 /nfs/dbraw/zinc/43/22/76/1192432276.db2.gz MBGBFRLWCZOKJW-OAHLLOKOSA-N 2 2 376.505 0.503 20 0 GCADLP Cc1ccn(C[C@](C)(O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(=O)c1 ZINC000279084422 1192460315 /nfs/dbraw/zinc/46/03/15/1192460315.db2.gz BBUYHQDEXSNGTO-FQEVSTJZSA-N 2 2 378.517 0.392 20 0 GCADLP Cc1ccn(C[C@](C)(O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(=O)c1 ZINC000279084422 1192460317 /nfs/dbraw/zinc/46/03/17/1192460317.db2.gz BBUYHQDEXSNGTO-FQEVSTJZSA-N 2 2 378.517 0.392 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663663938 1192464679 /nfs/dbraw/zinc/46/46/79/1192464679.db2.gz NDBXCRIDGRHNQJ-KRWDZBQOSA-N 2 2 381.521 0.093 20 0 GCADLP C[C@@H](C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)N1CC[NH+](C)CC1 ZINC000512154859 1192476309 /nfs/dbraw/zinc/47/63/09/1192476309.db2.gz FFHWOKSNXFMINC-HNNXBMFYSA-N 2 2 380.455 0.736 20 0 GCADLP CN(CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncnc2nc[nH]c21 ZINC000050797970 1192501911 /nfs/dbraw/zinc/50/19/11/1192501911.db2.gz SKXYMEJZTIEWQV-UHFFFAOYSA-N 2 2 386.504 0.464 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNC(=O)NCc3ccco3)CC2)CC1 ZINC000050797256 1192501943 /nfs/dbraw/zinc/50/19/43/1192501943.db2.gz JYRMDOPOXLXRGO-UHFFFAOYSA-N 2 2 377.489 0.754 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000050800726 1192501998 /nfs/dbraw/zinc/50/19/98/1192501998.db2.gz BIFQRIHEMSMOKL-UHFFFAOYSA-N 2 2 393.532 0.772 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[N@@H+](C)C[C@H]2C)c1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000408364407 1192512448 /nfs/dbraw/zinc/51/24/48/1192512448.db2.gz BUCNCJJUYHGKHL-SJORKVTESA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[N@H+](C)C[C@H]2C)c1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000408364407 1192512453 /nfs/dbraw/zinc/51/24/53/1192512453.db2.gz BUCNCJJUYHGKHL-SJORKVTESA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C)C[C@H]2C)c1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000408364407 1192512457 /nfs/dbraw/zinc/51/24/57/1192512457.db2.gz BUCNCJJUYHGKHL-SJORKVTESA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C)C[C@H]2C)c1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000408364407 1192512461 /nfs/dbraw/zinc/51/24/61/1192512461.db2.gz BUCNCJJUYHGKHL-SJORKVTESA-N 2 2 389.544 0.815 20 0 GCADLP CC1(O)CCN(c2cc(N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)nc[nH+]2)CC1 ZINC000663739853 1192518899 /nfs/dbraw/zinc/51/88/99/1192518899.db2.gz PHJKPJMLOJEXHB-MRXNPFEDSA-N 2 2 388.516 0.746 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H](C)O1 ZINC000279468467 1192544957 /nfs/dbraw/zinc/54/49/57/1192544957.db2.gz MUIMDLOSAXKCHJ-GASCZTMLSA-N 2 2 386.456 0.773 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H](C)O1 ZINC000279468467 1192544960 /nfs/dbraw/zinc/54/49/60/1192544960.db2.gz MUIMDLOSAXKCHJ-GASCZTMLSA-N 2 2 386.456 0.773 20 0 GCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000509739230 1192610101 /nfs/dbraw/zinc/61/01/01/1192610101.db2.gz SNNCSGHXGPPIET-MRXNPFEDSA-N 2 2 379.505 0.286 20 0 GCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000509739230 1192610105 /nfs/dbraw/zinc/61/01/05/1192610105.db2.gz SNNCSGHXGPPIET-MRXNPFEDSA-N 2 2 379.505 0.286 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623405 1192621469 /nfs/dbraw/zinc/62/14/69/1192621469.db2.gz XCZGGTAFSBUISI-KGLIPLIRSA-N 2 2 381.443 0.185 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623407 1192621655 /nfs/dbraw/zinc/62/16/55/1192621655.db2.gz XCZGGTAFSBUISI-ZIAGYGMSSA-N 2 2 381.443 0.185 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418823695 1192656545 /nfs/dbraw/zinc/65/65/45/1192656545.db2.gz CGYDRQNFSUDQIJ-UHOSZYNNSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418823695 1192656547 /nfs/dbraw/zinc/65/65/47/1192656547.db2.gz CGYDRQNFSUDQIJ-UHOSZYNNSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000418826053 1192657151 /nfs/dbraw/zinc/65/71/51/1192657151.db2.gz FQNVXGYAEGDQCL-QXAKKESOSA-N 2 2 388.512 0.508 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000418826053 1192657153 /nfs/dbraw/zinc/65/71/53/1192657153.db2.gz FQNVXGYAEGDQCL-QXAKKESOSA-N 2 2 388.512 0.508 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000418882179 1192677676 /nfs/dbraw/zinc/67/76/76/1192677676.db2.gz YJSJGEUGVOFSQR-BBRMVZONSA-N 2 2 382.892 0.635 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1Cl ZINC000418879145 1192674773 /nfs/dbraw/zinc/67/47/73/1192674773.db2.gz SFFCMFPIHSVXCQ-MRXNPFEDSA-N 2 2 381.908 0.080 20 0 GCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418917227 1192688276 /nfs/dbraw/zinc/68/82/76/1192688276.db2.gz SVUNQHMBIXAMGL-OALUTQOASA-N 2 2 386.496 0.203 20 0 GCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418919213 1192692622 /nfs/dbraw/zinc/69/26/22/1192692622.db2.gz WZMDLPGDFCECRD-QGZVFWFLSA-N 2 2 388.512 0.593 20 0 GCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@H]21 ZINC000418945517 1192698619 /nfs/dbraw/zinc/69/86/19/1192698619.db2.gz PRQQZCKNTDEKRW-FVQBIDKESA-N 2 2 376.526 0.808 20 0 GCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@H]21 ZINC000418945517 1192698623 /nfs/dbraw/zinc/69/86/23/1192698623.db2.gz PRQQZCKNTDEKRW-FVQBIDKESA-N 2 2 376.526 0.808 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419019825 1192722657 /nfs/dbraw/zinc/72/26/57/1192722657.db2.gz DYHOOQLSTVXKIR-IUODEOHRSA-N 2 2 389.431 0.857 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000419041633 1192739560 /nfs/dbraw/zinc/73/95/60/1192739560.db2.gz ODJJBUCYBYUMTJ-QGZVFWFLSA-N 2 2 388.516 0.779 20 0 GCADLP C[C@@H](C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237509511 1192747261 /nfs/dbraw/zinc/74/72/61/1192747261.db2.gz DEWWSAJQDJVSRJ-KRWDZBQOSA-N 2 2 377.508 0.748 20 0 GCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238041733 1192778122 /nfs/dbraw/zinc/77/81/22/1192778122.db2.gz BPHNGRWTAKRIGC-LJQANCHMSA-N 2 2 380.496 0.819 20 0 GCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419098834 1192784981 /nfs/dbraw/zinc/78/49/81/1192784981.db2.gz OURSPRLMSMZYFQ-HNNXBMFYSA-N 2 2 384.402 0.828 20 0 GCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419098834 1192784985 /nfs/dbraw/zinc/78/49/85/1192784985.db2.gz OURSPRLMSMZYFQ-HNNXBMFYSA-N 2 2 384.402 0.828 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419086996 1192783565 /nfs/dbraw/zinc/78/35/65/1192783565.db2.gz PBCVYGUYVLFCOL-TUVASFSCSA-N 2 2 384.521 0.220 20 0 GCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419098181 1192784416 /nfs/dbraw/zinc/78/44/16/1192784416.db2.gz CDXBUJKFKQPEBJ-UHFFFAOYSA-N 2 2 379.892 0.010 20 0 GCADLP [NH3+]C1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000419098554 1192784659 /nfs/dbraw/zinc/78/46/59/1192784659.db2.gz COTMPTFSEWJIDE-UHFFFAOYSA-N 2 2 393.919 0.528 20 0 GCADLP [NH3+][C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000419102664 1192786755 /nfs/dbraw/zinc/78/67/55/1192786755.db2.gz IUBKEYXNLKJJNF-OAHLLOKOSA-N 2 2 379.892 0.138 20 0 GCADLP [NH3+][C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000419102663 1192786793 /nfs/dbraw/zinc/78/67/93/1192786793.db2.gz IUBKEYXNLKJJNF-HNNXBMFYSA-N 2 2 379.892 0.138 20 0 GCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419106037 1192788940 /nfs/dbraw/zinc/78/89/40/1192788940.db2.gz NEQGMTNMUZSMPF-HNNXBMFYSA-N 2 2 379.892 0.056 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419109589 1192789958 /nfs/dbraw/zinc/78/99/58/1192789958.db2.gz BAFMYZCTYMUWEU-OTWHNJEPSA-N 2 2 388.512 0.413 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCOCC1 ZINC000419111525 1192791047 /nfs/dbraw/zinc/79/10/47/1192791047.db2.gz DGQFMGMLPFMEBB-KRWDZBQOSA-N 2 2 398.548 0.206 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419105022 1192792402 /nfs/dbraw/zinc/79/24/02/1192792402.db2.gz MANWJFHIYNQJNG-HNNXBMFYSA-N 2 2 393.919 0.399 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000419123412 1192795299 /nfs/dbraw/zinc/79/52/99/1192795299.db2.gz VVPCRNZYCWUGET-IBGZPJMESA-N 2 2 390.528 0.837 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000419123395 1192795466 /nfs/dbraw/zinc/79/54/66/1192795466.db2.gz VVCUPXGMMBBNKJ-MSOLQXFVSA-N 2 2 382.549 0.840 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000419122758 1192795482 /nfs/dbraw/zinc/79/54/82/1192795482.db2.gz ULVSFBDJGHEUON-RBUKOAKNSA-N 2 2 394.560 0.840 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000419124142 1192796343 /nfs/dbraw/zinc/79/63/43/1192796343.db2.gz WYMIIPHBCUMFFN-BSDSXHPESA-N 2 2 380.533 0.354 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000419116808 1192801532 /nfs/dbraw/zinc/80/15/32/1192801532.db2.gz LMZNJRMZHWJFLL-LJQANCHMSA-N 2 2 390.528 0.837 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419136712 1192810159 /nfs/dbraw/zinc/81/01/59/1192810159.db2.gz PMJRAXILJZEHCG-SJORKVTESA-N 2 2 388.516 0.048 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419140008 1192812384 /nfs/dbraw/zinc/81/23/84/1192812384.db2.gz VGTHHEFZVZNADV-SJORKVTESA-N 2 2 390.532 0.342 20 0 GCADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410700553 1192844100 /nfs/dbraw/zinc/84/41/00/1192844100.db2.gz SWWRYMABJBJFSE-QRVBRYPASA-N 2 2 392.544 0.642 20 0 GCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410702672 1192845036 /nfs/dbraw/zinc/84/50/36/1192845036.db2.gz WYBUDARLKXDTPO-QZTJIDSGSA-N 2 2 380.533 0.356 20 0 GCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410702672 1192845042 /nfs/dbraw/zinc/84/50/42/1192845042.db2.gz WYBUDARLKXDTPO-QZTJIDSGSA-N 2 2 380.533 0.356 20 0 GCADLP CN(CCC(N)=O)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410896437 1192914812 /nfs/dbraw/zinc/91/48/12/1192914812.db2.gz JUIKSWZEBUAIEW-IAGOWNOFSA-N 2 2 395.548 0.116 20 0 GCADLP CN(CCC(N)=O)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410896437 1192914813 /nfs/dbraw/zinc/91/48/13/1192914813.db2.gz JUIKSWZEBUAIEW-IAGOWNOFSA-N 2 2 395.548 0.116 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)[C@@H](C)C1 ZINC000410937180 1192917291 /nfs/dbraw/zinc/91/72/91/1192917291.db2.gz JWACOUJNFQBLJG-JXFKEZNVSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)[C@@H](C)C1 ZINC000410937180 1192917293 /nfs/dbraw/zinc/91/72/93/1192917293.db2.gz JWACOUJNFQBLJG-JXFKEZNVSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[C@@H](C)C1 ZINC000410937180 1192917294 /nfs/dbraw/zinc/91/72/94/1192917294.db2.gz JWACOUJNFQBLJG-JXFKEZNVSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[C@@H](C)C1 ZINC000410937180 1192917296 /nfs/dbraw/zinc/91/72/96/1192917296.db2.gz JWACOUJNFQBLJG-JXFKEZNVSA-N 2 2 394.516 0.027 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC2)CC1 ZINC000663877086 1192917768 /nfs/dbraw/zinc/91/77/68/1192917768.db2.gz QRZSAOXTZLLJFV-FQEVSTJZSA-N 3 2 393.576 0.786 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)CC2)CC1 ZINC000663877086 1192917771 /nfs/dbraw/zinc/91/77/71/1192917771.db2.gz QRZSAOXTZLLJFV-FQEVSTJZSA-N 3 2 393.576 0.786 20 0 GCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419219395 1192920304 /nfs/dbraw/zinc/92/03/04/1192920304.db2.gz HIZFCWINGNVSGV-GOSISDBHSA-N 2 2 386.496 0.936 20 0 GCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419219395 1192920305 /nfs/dbraw/zinc/92/03/05/1192920305.db2.gz HIZFCWINGNVSGV-GOSISDBHSA-N 2 2 386.496 0.936 20 0 GCADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C[C@H]1Cc1ccccc1 ZINC000410969048 1192921167 /nfs/dbraw/zinc/92/11/67/1192921167.db2.gz FINJJPVYGNADKB-AQNXPRMDSA-N 2 2 384.524 0.924 20 0 GCADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C[C@H]1Cc1ccccc1 ZINC000410969048 1192921168 /nfs/dbraw/zinc/92/11/68/1192921168.db2.gz FINJJPVYGNADKB-AQNXPRMDSA-N 2 2 384.524 0.924 20 0 GCADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[N@H+](C)[C@H](Cc4ccccc4)C3)[C@H]2C1 ZINC000410969048 1192921171 /nfs/dbraw/zinc/92/11/71/1192921171.db2.gz FINJJPVYGNADKB-AQNXPRMDSA-N 2 2 384.524 0.924 20 0 GCADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)[C@H]2C1 ZINC000410969048 1192921172 /nfs/dbraw/zinc/92/11/72/1192921172.db2.gz FINJJPVYGNADKB-AQNXPRMDSA-N 2 2 384.524 0.924 20 0 GCADLP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(OC)c1 ZINC000579729646 1184116843 /nfs/dbraw/zinc/11/68/43/1184116843.db2.gz WSQODXQUOOEJEA-OAHLLOKOSA-N 2 2 390.440 0.767 20 0 GCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000418579203 1184227488 /nfs/dbraw/zinc/22/74/88/1184227488.db2.gz JTBOBOZRCJHHED-JKSUJKDBSA-N 2 2 389.504 0.415 20 0 GCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000418579203 1184227495 /nfs/dbraw/zinc/22/74/95/1184227495.db2.gz JTBOBOZRCJHHED-JKSUJKDBSA-N 2 2 389.504 0.415 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CCN(c4cccnn4)CC3)C2)CC1 ZINC000683209195 1184286865 /nfs/dbraw/zinc/28/68/65/1184286865.db2.gz BBHMPPZKNSBPEA-QGZVFWFLSA-N 2 2 387.532 0.913 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CCN(c4cccnn4)CC3)C2)CC1 ZINC000683209195 1184286871 /nfs/dbraw/zinc/28/68/71/1184286871.db2.gz BBHMPPZKNSBPEA-QGZVFWFLSA-N 2 2 387.532 0.913 20 0 GCADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579831928 1184306288 /nfs/dbraw/zinc/30/62/88/1184306288.db2.gz SIHLZYODLYRXTO-SFHVURJKSA-N 2 2 392.525 0.097 20 0 GCADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579831928 1184306295 /nfs/dbraw/zinc/30/62/95/1184306295.db2.gz SIHLZYODLYRXTO-SFHVURJKSA-N 2 2 392.525 0.097 20 0 GCADLP CNC(=O)[C@]1(C)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430255410 1184383373 /nfs/dbraw/zinc/38/33/73/1184383373.db2.gz WFNXVDJGPUGEQH-OAQYLSRUSA-N 2 2 388.512 0.593 20 0 GCADLP CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430255410 1184383382 /nfs/dbraw/zinc/38/33/82/1184383382.db2.gz WFNXVDJGPUGEQH-OAQYLSRUSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867697 1184409404 /nfs/dbraw/zinc/40/94/04/1184409404.db2.gz JUMVGYWZPDFHFI-CRAIPNDOSA-N 2 2 381.480 0.907 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867697 1184409406 /nfs/dbraw/zinc/40/94/06/1184409406.db2.gz JUMVGYWZPDFHFI-CRAIPNDOSA-N 2 2 381.480 0.907 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867697 1184409410 /nfs/dbraw/zinc/40/94/10/1184409410.db2.gz JUMVGYWZPDFHFI-CRAIPNDOSA-N 2 2 381.480 0.907 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867697 1184409413 /nfs/dbraw/zinc/40/94/13/1184409413.db2.gz JUMVGYWZPDFHFI-CRAIPNDOSA-N 2 2 381.480 0.907 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419134707 1184528873 /nfs/dbraw/zinc/52/88/73/1184528873.db2.gz KURJYGGXXWMDQG-IKGGRYGDSA-N 2 2 388.516 0.094 20 0 GCADLP C[C@@H]1C[C@@H](C)[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000328638441 1184577835 /nfs/dbraw/zinc/57/78/35/1184577835.db2.gz BMZGXPUVZZNOTG-GPMSIDNRSA-N 2 2 380.533 0.497 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 ZINC000275339490 1184614788 /nfs/dbraw/zinc/61/47/88/1184614788.db2.gz XJRAFYFUNOFIHB-UHFFFAOYSA-N 2 2 397.527 0.494 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCC[NH+](C)C)c2)CC1 ZINC000275401004 1184653521 /nfs/dbraw/zinc/65/35/21/1184653521.db2.gz DRLUDFLIVAQTIE-UHFFFAOYSA-N 2 2 389.500 0.357 20 0 GCADLP NC(=O)[C@@]1([NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCOC1 ZINC000653841879 1184670262 /nfs/dbraw/zinc/67/02/62/1184670262.db2.gz OWJAXZHEQJQYLQ-QFBILLFUSA-N 2 2 394.903 0.827 20 0 GCADLP COCCCOCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371806 1184760614 /nfs/dbraw/zinc/76/06/14/1184760614.db2.gz XSYBINYPNVPRHQ-UHFFFAOYSA-N 2 2 398.548 0.126 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)NC[C@H]1CCCCO1 ZINC000655728053 1184788878 /nfs/dbraw/zinc/78/88/78/1184788878.db2.gz UHKWUFVXDNESII-QZTJIDSGSA-N 2 2 389.562 0.708 20 0 GCADLP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000275666518 1184902565 /nfs/dbraw/zinc/90/25/65/1184902565.db2.gz OMZDQNDJYIKJKG-LJQANCHMSA-N 2 2 376.501 0.909 20 0 GCADLP O=C(NCC[N@H+]1CCCOCC1)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000275666518 1184902567 /nfs/dbraw/zinc/90/25/67/1184902567.db2.gz OMZDQNDJYIKJKG-LJQANCHMSA-N 2 2 376.501 0.909 20 0 GCADLP O=C(NCC[NH+]1CCCOCC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000275666518 1184902573 /nfs/dbraw/zinc/90/25/73/1184902573.db2.gz OMZDQNDJYIKJKG-LJQANCHMSA-N 2 2 376.501 0.909 20 0 GCADLP O=C(NCC[NH+]1CCCOCC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000275666518 1184902575 /nfs/dbraw/zinc/90/25/75/1184902575.db2.gz OMZDQNDJYIKJKG-LJQANCHMSA-N 2 2 376.501 0.909 20 0 GCADLP CNC(=O)c1cccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000275675594 1184908567 /nfs/dbraw/zinc/90/85/67/1184908567.db2.gz KCFDCARKCHDXRE-UHFFFAOYSA-N 2 2 389.500 0.469 20 0 GCADLP CNC(=O)c1cccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000275675594 1184908568 /nfs/dbraw/zinc/90/85/68/1184908568.db2.gz KCFDCARKCHDXRE-UHFFFAOYSA-N 2 2 389.500 0.469 20 0 GCADLP CN(C(=O)NCCN1CCNC1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000891077088 1184910607 /nfs/dbraw/zinc/91/06/07/1184910607.db2.gz LFIUSAARTIODAR-MSOLQXFVSA-N 2 2 394.564 0.990 20 0 GCADLP CN(C(=O)NCCN1CCNC1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000891077088 1184910608 /nfs/dbraw/zinc/91/06/08/1184910608.db2.gz LFIUSAARTIODAR-MSOLQXFVSA-N 2 2 394.564 0.990 20 0 GCADLP COC(=O)c1cccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000275701723 1184944411 /nfs/dbraw/zinc/94/44/11/1184944411.db2.gz OLJNQCFVOJDAJG-UHFFFAOYSA-N 2 2 390.484 0.896 20 0 GCADLP COC(=O)c1cccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000275701723 1184944413 /nfs/dbraw/zinc/94/44/13/1184944413.db2.gz OLJNQCFVOJDAJG-UHFFFAOYSA-N 2 2 390.484 0.896 20 0 GCADLP Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(OCC[NH+](C)C)c1 ZINC000275742913 1184997866 /nfs/dbraw/zinc/99/78/66/1184997866.db2.gz WSOJLTGLSSIBCG-MRXNPFEDSA-N 2 2 392.500 0.399 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000656075596 1185011852 /nfs/dbraw/zinc/01/18/52/1185011852.db2.gz OZMNFJDGEMONCL-UHFFFAOYSA-N 2 2 382.549 0.888 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000118897943 1185037420 /nfs/dbraw/zinc/03/74/20/1185037420.db2.gz FAVXFDGTCRLBGQ-GOSISDBHSA-N 2 2 387.528 0.831 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000118897943 1185037428 /nfs/dbraw/zinc/03/74/28/1185037428.db2.gz FAVXFDGTCRLBGQ-GOSISDBHSA-N 2 2 387.528 0.831 20 0 GCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000275768523 1185039815 /nfs/dbraw/zinc/03/98/15/1185039815.db2.gz SCNSFLWLOZVWLH-LMMKCTJWSA-N 2 2 389.500 0.259 20 0 GCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000275768523 1185039821 /nfs/dbraw/zinc/03/98/21/1185039821.db2.gz SCNSFLWLOZVWLH-LMMKCTJWSA-N 2 2 389.500 0.259 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000275768523 1185039829 /nfs/dbraw/zinc/03/98/29/1185039829.db2.gz SCNSFLWLOZVWLH-LMMKCTJWSA-N 2 2 389.500 0.259 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000275768523 1185039840 /nfs/dbraw/zinc/03/98/40/1185039840.db2.gz SCNSFLWLOZVWLH-LMMKCTJWSA-N 2 2 389.500 0.259 20 0 GCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000275768516 1185041447 /nfs/dbraw/zinc/04/14/47/1185041447.db2.gz SCNSFLWLOZVWLH-AOIWGVFYSA-N 2 2 389.500 0.259 20 0 GCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000275768516 1185041454 /nfs/dbraw/zinc/04/14/54/1185041454.db2.gz SCNSFLWLOZVWLH-AOIWGVFYSA-N 2 2 389.500 0.259 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000275768516 1185041461 /nfs/dbraw/zinc/04/14/61/1185041461.db2.gz SCNSFLWLOZVWLH-AOIWGVFYSA-N 2 2 389.500 0.259 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000275768516 1185041468 /nfs/dbraw/zinc/04/14/68/1185041468.db2.gz SCNSFLWLOZVWLH-AOIWGVFYSA-N 2 2 389.500 0.259 20 0 GCADLP COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000275872441 1185202645 /nfs/dbraw/zinc/20/26/45/1185202645.db2.gz JYBNPMRGUTVNQN-UHFFFAOYSA-N 2 2 391.516 0.115 20 0 GCADLP CN1C(=O)Cc2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)ccc21 ZINC000684025867 1185306320 /nfs/dbraw/zinc/30/63/20/1185306320.db2.gz MQAHBTZNUQKVKS-INIZCTEOSA-N 2 2 399.495 0.429 20 0 GCADLP CN1C(=O)Cc2cc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)ccc21 ZINC000684025867 1185306326 /nfs/dbraw/zinc/30/63/26/1185306326.db2.gz MQAHBTZNUQKVKS-INIZCTEOSA-N 2 2 399.495 0.429 20 0 GCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1 ZINC000656299815 1185364431 /nfs/dbraw/zinc/36/44/31/1185364431.db2.gz CJDPCKCBSXWCSS-GOSISDBHSA-N 2 2 395.592 0.709 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)CN1CC[NH+](C)CC1 ZINC000656299956 1185366180 /nfs/dbraw/zinc/36/61/80/1185366180.db2.gz FZGUJXYBQONPQO-KURKYZTESA-N 2 2 379.549 0.119 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)CN1CC[NH+](C)CC1 ZINC000656299956 1185366187 /nfs/dbraw/zinc/36/61/87/1185366187.db2.gz FZGUJXYBQONPQO-KURKYZTESA-N 2 2 379.549 0.119 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000656300995 1185367621 /nfs/dbraw/zinc/36/76/21/1185367621.db2.gz WUVWYNNJWMXIGJ-QGZVFWFLSA-N 2 2 381.565 0.319 20 0 GCADLP Cc1cnc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000656315316 1185401882 /nfs/dbraw/zinc/40/18/82/1185401882.db2.gz JTWJTFZMIHLOKC-KRWDZBQOSA-N 2 2 387.528 0.642 20 0 GCADLP Cc1cnc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000656315316 1185401886 /nfs/dbraw/zinc/40/18/86/1185401886.db2.gz JTWJTFZMIHLOKC-KRWDZBQOSA-N 2 2 387.528 0.642 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656356509 1185457437 /nfs/dbraw/zinc/45/74/37/1185457437.db2.gz FECLFVDSUDCEGI-XDNAFOTISA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656356509 1185457439 /nfs/dbraw/zinc/45/74/39/1185457439.db2.gz FECLFVDSUDCEGI-XDNAFOTISA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656356509 1185457443 /nfs/dbraw/zinc/45/74/43/1185457443.db2.gz FECLFVDSUDCEGI-XDNAFOTISA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656356509 1185457449 /nfs/dbraw/zinc/45/74/49/1185457449.db2.gz FECLFVDSUDCEGI-XDNAFOTISA-N 2 2 380.533 0.687 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000580975299 1185462706 /nfs/dbraw/zinc/46/27/06/1185462706.db2.gz ZOGMFDNWNLQBDS-DJIMGWMZSA-N 2 2 389.500 0.610 20 0 GCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430548434 1185570826 /nfs/dbraw/zinc/57/08/26/1185570826.db2.gz WOCSWCJQJMFATH-UHFFFAOYSA-N 2 2 391.451 0.878 20 0 GCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430550492 1185573116 /nfs/dbraw/zinc/57/31/16/1185573116.db2.gz GLZYCOPEIWXCJF-UHFFFAOYSA-N 2 2 384.502 0.411 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000581313514 1185586426 /nfs/dbraw/zinc/58/64/26/1185586426.db2.gz IRMHWWRZWMJFCU-USXIJHARSA-N 3 2 398.515 0.071 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000581313514 1185586437 /nfs/dbraw/zinc/58/64/37/1185586437.db2.gz IRMHWWRZWMJFCU-USXIJHARSA-N 3 2 398.515 0.071 20 0 GCADLP COCCOCCOCC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276158127 1185629932 /nfs/dbraw/zinc/62/99/32/1185629932.db2.gz HFNYYDOVOILCFO-UHFFFAOYSA-N 2 2 394.516 0.732 20 0 GCADLP COCCOCCOCC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276158127 1185629940 /nfs/dbraw/zinc/62/99/40/1185629940.db2.gz HFNYYDOVOILCFO-UHFFFAOYSA-N 2 2 394.516 0.732 20 0 GCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000430617699 1185786213 /nfs/dbraw/zinc/78/62/13/1185786213.db2.gz OJYRPGPQHZDZAU-ZBFHGGJFSA-N 2 2 386.504 0.214 20 0 GCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430619190 1185796079 /nfs/dbraw/zinc/79/60/79/1185796079.db2.gz ZSCMVWYYDRYDQL-GOEBONIOSA-N 2 2 382.530 0.313 20 0 GCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430619190 1185796082 /nfs/dbraw/zinc/79/60/82/1185796082.db2.gz ZSCMVWYYDRYDQL-GOEBONIOSA-N 2 2 382.530 0.313 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CC[C@@H]([NH3+])C3)CC2)cc1OC ZINC000430621848 1185798067 /nfs/dbraw/zinc/79/80/67/1185798067.db2.gz KMVLGTOVAYUDHF-QGZVFWFLSA-N 2 2 376.501 0.689 20 0 GCADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CCCCC[N@H+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000581734417 1185871038 /nfs/dbraw/zinc/87/10/38/1185871038.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CCCCC[N@@H+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000581734417 1185871043 /nfs/dbraw/zinc/87/10/43/1185871043.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCCCC[NH+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000581734417 1185871048 /nfs/dbraw/zinc/87/10/48/1185871048.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCCCC[NH+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000581734417 1185871054 /nfs/dbraw/zinc/87/10/54/1185871054.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1CCCCC[N@H+]1C[C@@H](C)N(CCO)C[C@H]1C ZINC000581734417 1185871059 /nfs/dbraw/zinc/87/10/59/1185871059.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1CCCCC[N@@H+]1C[C@@H](C)N(CCO)C[C@H]1C ZINC000581734417 1185871065 /nfs/dbraw/zinc/87/10/65/1185871065.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCCCCN2C[C@H](C)[N@H+](CCO)C[C@H]2C)[C@H](C)CN1CCO ZINC000581734417 1185871070 /nfs/dbraw/zinc/87/10/70/1185871070.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCCCCN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)[C@H](C)CN1CCO ZINC000581734417 1185871078 /nfs/dbraw/zinc/87/10/78/1185871078.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 2 384.609 0.931 20 0 GCADLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000891529241 1185906038 /nfs/dbraw/zinc/90/60/38/1185906038.db2.gz VONNPHYMWVCBST-APWZRJJASA-N 2 2 375.517 0.987 20 0 GCADLP C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000548275345 1185927861 /nfs/dbraw/zinc/92/78/61/1185927861.db2.gz WMUZSHIEWJBXFV-MRXNPFEDSA-N 2 2 394.541 0.993 20 0 GCADLP C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000548275345 1185927866 /nfs/dbraw/zinc/92/78/66/1185927866.db2.gz WMUZSHIEWJBXFV-MRXNPFEDSA-N 2 2 394.541 0.993 20 0 GCADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)[nH+]c12 ZINC000891625989 1185948781 /nfs/dbraw/zinc/94/87/81/1185948781.db2.gz AHZCLTQHENJYBO-ZACQAIPSSA-N 2 2 398.467 0.762 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000581911576 1185971234 /nfs/dbraw/zinc/97/12/34/1185971234.db2.gz ASCNVXWMKYADNB-RDJZCZTQSA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000581911576 1185971238 /nfs/dbraw/zinc/97/12/38/1185971238.db2.gz ASCNVXWMKYADNB-RDJZCZTQSA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H](C)C1 ZINC000581911576 1185971239 /nfs/dbraw/zinc/97/12/39/1185971239.db2.gz ASCNVXWMKYADNB-RDJZCZTQSA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H](C)C1 ZINC000581911576 1185971241 /nfs/dbraw/zinc/97/12/41/1185971241.db2.gz ASCNVXWMKYADNB-RDJZCZTQSA-N 2 2 394.516 0.215 20 0 GCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891709711 1185990680 /nfs/dbraw/zinc/99/06/80/1185990680.db2.gz SZMYUDGHKRXGRC-JJXSEGSLSA-N 2 2 386.456 0.237 20 0 GCADLP O=S(=O)(c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1)N1CCOCC1 ZINC000581937756 1185996949 /nfs/dbraw/zinc/99/69/49/1185996949.db2.gz MKOGHROESVIJQK-OALUTQOASA-N 2 2 395.525 0.564 20 0 GCADLP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cn2)CC1 ZINC000430865656 1186042734 /nfs/dbraw/zinc/04/27/34/1186042734.db2.gz OISDLCOSLAXAIG-GOSISDBHSA-N 2 2 382.468 0.310 20 0 GCADLP NS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000510639146 1186043880 /nfs/dbraw/zinc/04/38/80/1186043880.db2.gz PMWCNCGPPOXOPA-INIZCTEOSA-N 2 2 395.529 0.121 20 0 GCADLP NS(=O)(=O)C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000510639146 1186043884 /nfs/dbraw/zinc/04/38/84/1186043884.db2.gz PMWCNCGPPOXOPA-INIZCTEOSA-N 2 2 395.529 0.121 20 0 GCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430904221 1186049672 /nfs/dbraw/zinc/04/96/72/1186049672.db2.gz POATWOZELQEZMO-INIZCTEOSA-N 2 2 375.473 0.005 20 0 GCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430930893 1186055767 /nfs/dbraw/zinc/05/57/67/1186055767.db2.gz AFEQEDOZOKLNMQ-HUUCEWRRSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430930893 1186055771 /nfs/dbraw/zinc/05/57/71/1186055771.db2.gz AFEQEDOZOKLNMQ-HUUCEWRRSA-N 2 2 396.513 0.315 20 0 GCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430949355 1186063692 /nfs/dbraw/zinc/06/36/92/1186063692.db2.gz CJPXJXUNIGRUSC-MRXNPFEDSA-N 2 2 380.514 0.061 20 0 GCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430949355 1186063699 /nfs/dbraw/zinc/06/36/99/1186063699.db2.gz CJPXJXUNIGRUSC-MRXNPFEDSA-N 2 2 380.514 0.061 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC2(C1)COC(C)(C)C2 ZINC000933773752 1186070294 /nfs/dbraw/zinc/07/02/94/1186070294.db2.gz DQEWLPYGWCEFSO-UHFFFAOYSA-N 2 2 394.560 0.935 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC2(C1)COC(C)(C)C2 ZINC000933773752 1186070297 /nfs/dbraw/zinc/07/02/97/1186070297.db2.gz DQEWLPYGWCEFSO-UHFFFAOYSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430967451 1186076478 /nfs/dbraw/zinc/07/64/78/1186076478.db2.gz SADBKLJASWQYON-GJZGRUSLSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430967451 1186076489 /nfs/dbraw/zinc/07/64/89/1186076489.db2.gz SADBKLJASWQYON-GJZGRUSLSA-N 2 2 396.513 0.315 20 0 GCADLP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000430968220 1186077069 /nfs/dbraw/zinc/07/70/69/1186077069.db2.gz WBWOYDULHCYZRY-CQSZACIVSA-N 3 2 386.504 0.071 20 0 GCADLP [NH3+]Cc1nc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cs1 ZINC000431005996 1186098959 /nfs/dbraw/zinc/09/89/59/1186098959.db2.gz WZAKQUVXJPHXJN-UHFFFAOYSA-N 2 2 375.502 0.724 20 0 GCADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CN1CC[NH2+]CC1=O ZINC000431011137 1186099786 /nfs/dbraw/zinc/09/97/86/1186099786.db2.gz UHEFFRUQKNOGQN-UHFFFAOYSA-N 2 2 375.473 0.207 20 0 GCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000431018812 1186104164 /nfs/dbraw/zinc/10/41/64/1186104164.db2.gz YCDNTBYFAKIVEI-PXNSSMCTSA-N 2 2 390.528 0.948 20 0 GCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000431018812 1186104166 /nfs/dbraw/zinc/10/41/66/1186104166.db2.gz YCDNTBYFAKIVEI-PXNSSMCTSA-N 2 2 390.528 0.948 20 0 GCADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1(CO)CCOCC1 ZINC000276842425 1186115018 /nfs/dbraw/zinc/11/50/18/1186115018.db2.gz YNTVFZBBRZNUKE-UHFFFAOYSA-N 2 2 377.485 0.931 20 0 GCADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1(CO)CCOCC1 ZINC000276842425 1186115023 /nfs/dbraw/zinc/11/50/23/1186115023.db2.gz YNTVFZBBRZNUKE-UHFFFAOYSA-N 2 2 377.485 0.931 20 0 GCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001691320745 1186166403 /nfs/dbraw/zinc/16/64/03/1186166403.db2.gz TZBXJNYASDVEDI-IXYNUQLISA-N 2 2 384.502 0.011 20 0 GCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001691320745 1186166405 /nfs/dbraw/zinc/16/64/05/1186166405.db2.gz TZBXJNYASDVEDI-IXYNUQLISA-N 2 2 384.502 0.011 20 0 GCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000684586216 1186200146 /nfs/dbraw/zinc/20/01/46/1186200146.db2.gz HGBLNRAHNUTKQF-SJORKVTESA-N 2 2 399.561 0.281 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458195505 1186213743 /nfs/dbraw/zinc/21/37/43/1186213743.db2.gz HMQBOVWAQMMPDY-BBWFWOEESA-N 2 2 381.521 0.092 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458195505 1186213751 /nfs/dbraw/zinc/21/37/51/1186213751.db2.gz HMQBOVWAQMMPDY-BBWFWOEESA-N 2 2 381.521 0.092 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458195505 1186213758 /nfs/dbraw/zinc/21/37/58/1186213758.db2.gz HMQBOVWAQMMPDY-BBWFWOEESA-N 2 2 381.521 0.092 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458195505 1186213766 /nfs/dbraw/zinc/21/37/66/1186213766.db2.gz HMQBOVWAQMMPDY-BBWFWOEESA-N 2 2 381.521 0.092 20 0 GCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000563097841 1186226498 /nfs/dbraw/zinc/22/64/98/1186226498.db2.gz HHNRFVFDXOAHJE-SJLPKXTDSA-N 2 2 388.512 0.986 20 0 GCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000563097841 1186226505 /nfs/dbraw/zinc/22/65/05/1186226505.db2.gz HHNRFVFDXOAHJE-SJLPKXTDSA-N 2 2 388.512 0.986 20 0 GCADLP CN(C(=O)CCNS(C)(=O)=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849323 1186255832 /nfs/dbraw/zinc/25/58/32/1186255832.db2.gz XLKBCAAWFDHYQV-IRXDYDNUSA-N 2 2 388.578 0.721 20 0 GCADLP CN(C(=O)CCNS(C)(=O)=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849323 1186255838 /nfs/dbraw/zinc/25/58/38/1186255838.db2.gz XLKBCAAWFDHYQV-IRXDYDNUSA-N 2 2 388.578 0.721 20 0 GCADLP CN(C(=O)CCNS(C)(=O)=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849321 1186256150 /nfs/dbraw/zinc/25/61/50/1186256150.db2.gz XLKBCAAWFDHYQV-DLBZAZTESA-N 2 2 388.578 0.721 20 0 GCADLP CN(C(=O)CCNS(C)(=O)=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849321 1186256156 /nfs/dbraw/zinc/25/61/56/1186256156.db2.gz XLKBCAAWFDHYQV-DLBZAZTESA-N 2 2 388.578 0.721 20 0 GCADLP Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001707915066 1186272238 /nfs/dbraw/zinc/27/22/38/1186272238.db2.gz FWKBOBLFUUZJLN-WMZOPIPTSA-N 2 2 378.521 0.466 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000151128205 1186283765 /nfs/dbraw/zinc/28/37/65/1186283765.db2.gz VJXUQRAZFRZESM-LJQANCHMSA-N 2 2 390.528 0.986 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000151128205 1186283772 /nfs/dbraw/zinc/28/37/72/1186283772.db2.gz VJXUQRAZFRZESM-LJQANCHMSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277199562 1186293143 /nfs/dbraw/zinc/29/31/43/1186293143.db2.gz MKPCPRVIEQPOEJ-WBVHZDCISA-N 2 2 396.557 0.797 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277199562 1186293148 /nfs/dbraw/zinc/29/31/48/1186293148.db2.gz MKPCPRVIEQPOEJ-WBVHZDCISA-N 2 2 396.557 0.797 20 0 GCADLP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)ccn1 ZINC000536458911 1186357369 /nfs/dbraw/zinc/35/73/69/1186357369.db2.gz HZSZSONMAJRARC-UHFFFAOYSA-N 2 2 379.505 0.932 20 0 GCADLP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)ccn1 ZINC000536458911 1186357374 /nfs/dbraw/zinc/35/73/74/1186357374.db2.gz HZSZSONMAJRARC-UHFFFAOYSA-N 2 2 379.505 0.932 20 0 GCADLP [NH3+]Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000653224627 1186373302 /nfs/dbraw/zinc/37/33/02/1186373302.db2.gz XZYZAKCXRRINES-MRXNPFEDSA-N 2 2 378.448 0.081 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892169760 1186394983 /nfs/dbraw/zinc/39/49/83/1186394983.db2.gz QNLGBNWIKRVOQJ-RBUKOAKNSA-N 2 2 376.501 0.874 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892169760 1186394989 /nfs/dbraw/zinc/39/49/89/1186394989.db2.gz QNLGBNWIKRVOQJ-RBUKOAKNSA-N 2 2 376.501 0.874 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)c1 ZINC000892170050 1186396315 /nfs/dbraw/zinc/39/63/15/1186396315.db2.gz RPLOGWXGMNQXRP-OALUTQOASA-N 2 2 376.501 0.874 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)c1 ZINC000892170050 1186396320 /nfs/dbraw/zinc/39/63/20/1186396320.db2.gz RPLOGWXGMNQXRP-OALUTQOASA-N 2 2 376.501 0.874 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1C ZINC000559508351 1186417286 /nfs/dbraw/zinc/41/72/86/1186417286.db2.gz MCHVFIIAWKGZGX-ZACQAIPSSA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1C ZINC000559508351 1186417289 /nfs/dbraw/zinc/41/72/89/1186417289.db2.gz MCHVFIIAWKGZGX-ZACQAIPSSA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000559552084 1186434566 /nfs/dbraw/zinc/43/45/66/1186434566.db2.gz RLNDQGBGEMUTCW-MOPGFXCFSA-N 2 2 394.560 0.650 20 0 GCADLP C[C@H](c1cccc(NC(=O)C(=O)NCC[N@H+](C)CCO)c1)[NH+]1CCOCC1 ZINC000892219026 1186459648 /nfs/dbraw/zinc/45/96/48/1186459648.db2.gz NPIWXXXXWHSZEZ-OAHLLOKOSA-N 2 2 378.473 0.059 20 0 GCADLP C[C@H](c1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)c1)[NH+]1CCOCC1 ZINC000892219026 1186459653 /nfs/dbraw/zinc/45/96/53/1186459653.db2.gz NPIWXXXXWHSZEZ-OAHLLOKOSA-N 2 2 378.473 0.059 20 0 GCADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC[N@H+](C)CCO)C[C@H](C)O1 ZINC000892221169 1186464011 /nfs/dbraw/zinc/46/40/11/1186464011.db2.gz PAJHRWGECOUMPL-HOTGVXAUSA-N 2 2 392.500 0.275 20 0 GCADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC[N@@H+](C)CCO)C[C@H](C)O1 ZINC000892221169 1186464015 /nfs/dbraw/zinc/46/40/15/1186464015.db2.gz PAJHRWGECOUMPL-HOTGVXAUSA-N 2 2 392.500 0.275 20 0 GCADLP O=C1C[C@H]([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CN1CC[NH+]1CCOCC1 ZINC000657368482 1186468449 /nfs/dbraw/zinc/46/84/49/1186468449.db2.gz XMNGTRHWEQOBFE-AZUAARDMSA-N 2 2 389.496 0.877 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000582255383 1186475493 /nfs/dbraw/zinc/47/54/93/1186475493.db2.gz TXDCEZGAOQGVNS-OALUTQOASA-N 2 2 394.560 0.794 20 0 GCADLP C[C@H](CNc1ccnc(NC[C@@H](C)N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC000892279661 1186610765 /nfs/dbraw/zinc/61/07/65/1186610765.db2.gz BFFIYIXIVHMGCS-QZTJIDSGSA-N 2 2 390.580 0.572 20 0 GCADLP CCc1ccnc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000511197545 1186681878 /nfs/dbraw/zinc/68/18/78/1186681878.db2.gz HPUNGHMSQUDEQH-UHFFFAOYSA-N 2 2 375.517 0.745 20 0 GCADLP CCc1ccnc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000511197545 1186681879 /nfs/dbraw/zinc/68/18/79/1186681879.db2.gz HPUNGHMSQUDEQH-UHFFFAOYSA-N 2 2 375.517 0.745 20 0 GCADLP CC[C@@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000582847702 1186710861 /nfs/dbraw/zinc/71/08/61/1186710861.db2.gz BQUSBLKBXZJCAN-SQNIBIBYSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000582847702 1186710863 /nfs/dbraw/zinc/71/08/63/1186710863.db2.gz BQUSBLKBXZJCAN-SQNIBIBYSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000548777155 1186715972 /nfs/dbraw/zinc/71/59/72/1186715972.db2.gz ASZXVXYQFPFLTB-AZUAARDMSA-N 2 2 389.544 0.683 20 0 GCADLP C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1(C[NH3+])CCC1 ZINC000583025853 1186751156 /nfs/dbraw/zinc/75/11/56/1186751156.db2.gz AIZWRFLWUZONOV-UHFFFAOYSA-N 2 2 383.514 0.900 20 0 GCADLP C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1(C[NH3+])CCC1 ZINC000583025853 1186751158 /nfs/dbraw/zinc/75/11/58/1186751158.db2.gz AIZWRFLWUZONOV-UHFFFAOYSA-N 2 2 383.514 0.900 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000583138029 1186778903 /nfs/dbraw/zinc/77/89/03/1186778903.db2.gz GPHVDEDBHKYDHR-QZTJIDSGSA-N 2 2 392.544 0.548 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000162609312 1186786934 /nfs/dbraw/zinc/78/69/34/1186786934.db2.gz XLEQBROTBCDQEX-HKUYNNGSSA-N 2 2 379.476 0.942 20 0 GCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000124325511 1186793294 /nfs/dbraw/zinc/79/32/94/1186793294.db2.gz DOCDQMDWJZSQTC-UHFFFAOYSA-N 2 2 377.470 0.442 20 0 GCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000124325511 1186793300 /nfs/dbraw/zinc/79/33/00/1186793300.db2.gz DOCDQMDWJZSQTC-UHFFFAOYSA-N 2 2 377.470 0.442 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC[C@@H]21 ZINC000657741358 1186793786 /nfs/dbraw/zinc/79/37/86/1186793786.db2.gz JRNWDAVLYSYRDQ-SQNIBIBYSA-N 2 2 378.517 0.252 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC[C@@H]21 ZINC000657741358 1186793790 /nfs/dbraw/zinc/79/37/90/1186793790.db2.gz JRNWDAVLYSYRDQ-SQNIBIBYSA-N 2 2 378.517 0.252 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000657743295 1186801983 /nfs/dbraw/zinc/80/19/83/1186801983.db2.gz AILVBLXUKFQGCC-IBGZPJMESA-N 2 2 392.544 0.787 20 0 GCADLP O=C(C(=O)N1CC[NH+](C2CCCCC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657744344 1186804156 /nfs/dbraw/zinc/80/41/56/1186804156.db2.gz IMXXZCFQANGBAC-LJQANCHMSA-N 2 2 392.544 0.787 20 0 GCADLP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657744017 1186805424 /nfs/dbraw/zinc/80/54/24/1186805424.db2.gz GBLMBFDPIPRABY-ZWKOTPCHSA-N 2 2 378.517 0.396 20 0 GCADLP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657745170 1186808488 /nfs/dbraw/zinc/80/84/88/1186808488.db2.gz ONKORFKGHMTJBB-IBGZPJMESA-N 2 2 394.560 0.890 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000657746819 1186814088 /nfs/dbraw/zinc/81/40/88/1186814088.db2.gz ZMAFPYQKDQQHIE-ROUUACIJSA-N 2 2 378.517 0.254 20 0 GCADLP CC(C)Nc1nc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000413527824 1186879345 /nfs/dbraw/zinc/87/93/45/1186879345.db2.gz BXDNCSJFNVGOQC-MRXNPFEDSA-N 2 2 385.516 0.651 20 0 GCADLP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000685176408 1186912044 /nfs/dbraw/zinc/91/20/44/1186912044.db2.gz BSJBZRBZQSJUBB-STQMWFEESA-N 2 2 382.427 0.212 20 0 GCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000685176408 1186912045 /nfs/dbraw/zinc/91/20/45/1186912045.db2.gz BSJBZRBZQSJUBB-STQMWFEESA-N 2 2 382.427 0.212 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)CCC(F)(F)F ZINC000685176408 1186912049 /nfs/dbraw/zinc/91/20/49/1186912049.db2.gz BSJBZRBZQSJUBB-STQMWFEESA-N 2 2 382.427 0.212 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)CCC(F)(F)F ZINC000685176408 1186912054 /nfs/dbraw/zinc/91/20/54/1186912054.db2.gz BSJBZRBZQSJUBB-STQMWFEESA-N 2 2 382.427 0.212 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000246359380 1186918147 /nfs/dbraw/zinc/91/81/47/1186918147.db2.gz NDAJNAGIJBCTNF-OLZOCXBDSA-N 2 2 379.427 0.475 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000246359380 1186918150 /nfs/dbraw/zinc/91/81/50/1186918150.db2.gz NDAJNAGIJBCTNF-OLZOCXBDSA-N 2 2 379.427 0.475 20 0 GCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC([NH+]4CC[C@@H](O)C4)C3)c2)CCO1 ZINC000650747858 1186927652 /nfs/dbraw/zinc/92/76/52/1186927652.db2.gz JDDOGGHRSHFKMH-OXQOHEQNSA-N 2 2 388.512 0.868 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC([NH+]4CC[C@@H](O)C4)C3)c2)CCO1 ZINC000650747858 1186927654 /nfs/dbraw/zinc/92/76/54/1186927654.db2.gz JDDOGGHRSHFKMH-OXQOHEQNSA-N 2 2 388.512 0.868 20 0 GCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2)CCO1 ZINC000650747858 1186927655 /nfs/dbraw/zinc/92/76/55/1186927655.db2.gz JDDOGGHRSHFKMH-OXQOHEQNSA-N 2 2 388.512 0.868 20 0 GCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000250291447 1186936891 /nfs/dbraw/zinc/93/68/91/1186936891.db2.gz TVJCUKCSTMVANN-OKZBNKHCSA-N 2 2 393.576 0.589 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@H](C)C2)CC[N@@H+]1C ZINC001719727594 1186978415 /nfs/dbraw/zinc/97/84/15/1186978415.db2.gz VWWHZUUCKKBSJV-QBPKDAKJSA-N 2 2 375.517 0.904 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@H](C)C2)CC[N@H+]1C ZINC001719727594 1186978419 /nfs/dbraw/zinc/97/84/19/1186978419.db2.gz VWWHZUUCKKBSJV-QBPKDAKJSA-N 2 2 375.517 0.904 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672010980 1186990760 /nfs/dbraw/zinc/99/07/60/1186990760.db2.gz PTDNIILFCCCPOR-MRXNPFEDSA-N 3 2 381.565 0.317 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672010980 1186990764 /nfs/dbraw/zinc/99/07/64/1186990764.db2.gz PTDNIILFCCCPOR-MRXNPFEDSA-N 3 2 381.565 0.317 20 0 GCADLP COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375743792 1186994744 /nfs/dbraw/zinc/99/47/44/1186994744.db2.gz LSXVKFANOWXDQS-ZBFHGGJFSA-N 2 2 384.521 0.811 20 0 GCADLP COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375743792 1186994746 /nfs/dbraw/zinc/99/47/46/1186994746.db2.gz LSXVKFANOWXDQS-ZBFHGGJFSA-N 2 2 384.521 0.811 20 0 GCADLP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000584119668 1187001471 /nfs/dbraw/zinc/00/14/71/1187001471.db2.gz ZMKNUKNPQTTXPJ-UHFFFAOYSA-N 2 2 377.489 0.405 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000083694296 1187051546 /nfs/dbraw/zinc/05/15/46/1187051546.db2.gz UXADPXNPGQIYPU-RTBURBONSA-N 2 2 378.517 0.494 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000083694591 1187051923 /nfs/dbraw/zinc/05/19/23/1187051923.db2.gz SZQZNKSTQTWRHC-RTBURBONSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000083694591 1187051929 /nfs/dbraw/zinc/05/19/29/1187051929.db2.gz SZQZNKSTQTWRHC-RTBURBONSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C(=O)C1(O)CCCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000086584110 1187055488 /nfs/dbraw/zinc/05/54/88/1187055488.db2.gz YBTAWWHULKHFJW-UHFFFAOYSA-N 2 2 380.533 0.378 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635557244 1187085588 /nfs/dbraw/zinc/08/55/88/1187085588.db2.gz XILWVRKBCOAUEL-UHFFFAOYSA-N 2 2 382.549 0.748 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635557244 1187085593 /nfs/dbraw/zinc/08/55/93/1187085593.db2.gz XILWVRKBCOAUEL-UHFFFAOYSA-N 2 2 382.549 0.748 20 0 GCADLP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000657873583 1187086000 /nfs/dbraw/zinc/08/60/00/1187086000.db2.gz LBONVOXILSHYSD-GOSISDBHSA-N 2 2 381.436 0.805 20 0 GCADLP CCC(O)(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685344760 1187110084 /nfs/dbraw/zinc/11/00/84/1187110084.db2.gz HORAXMLBWLXWMY-QGZVFWFLSA-N 2 2 382.549 0.671 20 0 GCADLP CCC(O)(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685344760 1187110085 /nfs/dbraw/zinc/11/00/85/1187110085.db2.gz HORAXMLBWLXWMY-QGZVFWFLSA-N 2 2 382.549 0.671 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443949 1187129387 /nfs/dbraw/zinc/12/93/87/1187129387.db2.gz GYGQFOMGBZUPLO-QFBILLFUSA-N 3 2 391.560 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443949 1187129389 /nfs/dbraw/zinc/12/93/89/1187129389.db2.gz GYGQFOMGBZUPLO-QFBILLFUSA-N 3 2 391.560 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443949 1187129391 /nfs/dbraw/zinc/12/93/91/1187129391.db2.gz GYGQFOMGBZUPLO-QFBILLFUSA-N 3 2 391.560 0.380 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443949 1187129392 /nfs/dbraw/zinc/12/93/92/1187129392.db2.gz GYGQFOMGBZUPLO-QFBILLFUSA-N 3 2 391.560 0.380 20 0 GCADLP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685518954 1187141551 /nfs/dbraw/zinc/14/15/51/1187141551.db2.gz BHUWNKGXMIWTSR-GOSISDBHSA-N 2 2 378.517 0.300 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000672014362 1187184461 /nfs/dbraw/zinc/18/44/61/1187184461.db2.gz SMLRQGBVICTZEV-NUJGCVRESA-N 2 2 380.533 0.402 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431623763 1187220107 /nfs/dbraw/zinc/22/01/07/1187220107.db2.gz UJUWTBIJJYFYKJ-MRXNPFEDSA-N 2 2 397.564 0.633 20 0 GCADLP CO[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000658539622 1187333156 /nfs/dbraw/zinc/33/31/56/1187333156.db2.gz FHAPEAAJJNBMAW-MOPGFXCFSA-N 2 2 394.560 0.935 20 0 GCADLP CO[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000658539622 1187333159 /nfs/dbraw/zinc/33/31/59/1187333159.db2.gz FHAPEAAJJNBMAW-MOPGFXCFSA-N 2 2 394.560 0.935 20 0 GCADLP Cc1nc2ccc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736229 1187386833 /nfs/dbraw/zinc/38/68/33/1187386833.db2.gz ZNJCLVZTABLJMI-KRWDZBQOSA-N 2 2 399.499 0.603 20 0 GCADLP Cc1nc2ccc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736229 1187386836 /nfs/dbraw/zinc/38/68/36/1187386836.db2.gz ZNJCLVZTABLJMI-KRWDZBQOSA-N 2 2 399.499 0.603 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC[N@@H+]1C ZINC001024492103 1187416834 /nfs/dbraw/zinc/41/68/34/1187416834.db2.gz CCIOOXREUGKSDF-OKDNKWQNSA-N 2 2 385.468 0.595 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC[N@H+]1C ZINC001024492103 1187416837 /nfs/dbraw/zinc/41/68/37/1187416837.db2.gz CCIOOXREUGKSDF-OKDNKWQNSA-N 2 2 385.468 0.595 20 0 GCADLP C[NH+]1CCC(O)(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000685761789 1187451835 /nfs/dbraw/zinc/45/18/35/1187451835.db2.gz BLHLCWXBNJAYMP-QGZVFWFLSA-N 2 2 391.516 0.590 20 0 GCADLP C[NH+]1CCC(O)(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000685761789 1187451841 /nfs/dbraw/zinc/45/18/41/1187451841.db2.gz BLHLCWXBNJAYMP-QGZVFWFLSA-N 2 2 391.516 0.590 20 0 GCADLP COC1CC[NH+](CCNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000685776403 1187499963 /nfs/dbraw/zinc/49/99/63/1187499963.db2.gz GOXSPAFLNPFTJH-KRWDZBQOSA-N 2 2 379.505 0.710 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000612483215 1187504987 /nfs/dbraw/zinc/50/49/87/1187504987.db2.gz XYGULTMCGCFCET-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000612483215 1187504989 /nfs/dbraw/zinc/50/49/89/1187504989.db2.gz XYGULTMCGCFCET-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[N@@H+]1C ZINC000612557924 1187523553 /nfs/dbraw/zinc/52/35/53/1187523553.db2.gz GJDXSQGEMYZIAN-RCCFBDPRSA-N 2 2 392.544 0.545 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[N@H+]1C ZINC000612557924 1187523556 /nfs/dbraw/zinc/52/35/56/1187523556.db2.gz GJDXSQGEMYZIAN-RCCFBDPRSA-N 2 2 392.544 0.545 20 0 GCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)Cc1ccc(F)cc1 ZINC000584490208 1187533122 /nfs/dbraw/zinc/53/31/22/1187533122.db2.gz KKWQNXPTCCTKRN-UHFFFAOYSA-N 2 2 376.476 0.928 20 0 GCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)Cc1ccc(F)cc1 ZINC000584490208 1187533125 /nfs/dbraw/zinc/53/31/25/1187533125.db2.gz KKWQNXPTCCTKRN-UHFFFAOYSA-N 2 2 376.476 0.928 20 0 GCADLP C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000658820681 1187552104 /nfs/dbraw/zinc/55/21/04/1187552104.db2.gz ZONNFWDIESDPJR-AEFFLSMTSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000658820681 1187552106 /nfs/dbraw/zinc/55/21/06/1187552106.db2.gz ZONNFWDIESDPJR-AEFFLSMTSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000658820685 1187552134 /nfs/dbraw/zinc/55/21/34/1187552134.db2.gz ZONNFWDIESDPJR-SJLPKXTDSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000658820685 1187552138 /nfs/dbraw/zinc/55/21/38/1187552138.db2.gz ZONNFWDIESDPJR-SJLPKXTDSA-N 2 2 382.549 0.480 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+](C)C1 ZINC000413906684 1187579524 /nfs/dbraw/zinc/57/95/24/1187579524.db2.gz SCLFSBHMGBPDMB-ZWKOTPCHSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+](C)C1 ZINC000413906684 1187579529 /nfs/dbraw/zinc/57/95/29/1187579529.db2.gz SCLFSBHMGBPDMB-ZWKOTPCHSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413906684 1187579534 /nfs/dbraw/zinc/57/95/34/1187579534.db2.gz SCLFSBHMGBPDMB-ZWKOTPCHSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413906684 1187579539 /nfs/dbraw/zinc/57/95/39/1187579539.db2.gz SCLFSBHMGBPDMB-ZWKOTPCHSA-N 2 2 375.469 0.451 20 0 GCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000892513653 1187591085 /nfs/dbraw/zinc/59/10/85/1187591085.db2.gz HLPHXRIDEYONAQ-QGZVFWFLSA-N 2 2 390.557 0.824 20 0 GCADLP C[C@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000133473415 1187605217 /nfs/dbraw/zinc/60/52/17/1187605217.db2.gz KKOCKMZJZIWNGZ-ICSRJNTNSA-N 2 2 389.544 0.823 20 0 GCADLP C[C@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133473415 1187605218 /nfs/dbraw/zinc/60/52/18/1187605218.db2.gz KKOCKMZJZIWNGZ-ICSRJNTNSA-N 2 2 389.544 0.823 20 0 GCADLP CC[NH+](CC)CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000613012065 1187635832 /nfs/dbraw/zinc/63/58/32/1187635832.db2.gz LASXEKJMSWNFPQ-WBVHZDCISA-N 2 2 382.530 0.803 20 0 GCADLP CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000892545763 1187750122 /nfs/dbraw/zinc/75/01/22/1187750122.db2.gz XQYWYTMVNNXWAP-QGZVFWFLSA-N 2 2 388.516 0.856 20 0 GCADLP CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000892545763 1187750126 /nfs/dbraw/zinc/75/01/26/1187750126.db2.gz XQYWYTMVNNXWAP-QGZVFWFLSA-N 2 2 388.516 0.856 20 0 GCADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000376294039 1187752139 /nfs/dbraw/zinc/75/21/39/1187752139.db2.gz QBXNJAOJDKJGFG-ROUUACIJSA-N 2 2 387.532 0.867 20 0 GCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376322274 1187762346 /nfs/dbraw/zinc/76/23/46/1187762346.db2.gz MBZRYVAVALADGO-WBVHZDCISA-N 2 2 381.521 0.044 20 0 GCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)C1=O ZINC000332796021 1187777177 /nfs/dbraw/zinc/77/71/77/1187777177.db2.gz OBPCEYUZLFGVDV-MSOLQXFVSA-N 2 2 378.517 0.441 20 0 GCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)C1=O ZINC000332796021 1187777180 /nfs/dbraw/zinc/77/71/80/1187777180.db2.gz OBPCEYUZLFGVDV-MSOLQXFVSA-N 2 2 378.517 0.441 20 0 GCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658944963 1187806254 /nfs/dbraw/zinc/80/62/54/1187806254.db2.gz XASFPSIFWOYYOW-SJLPKXTDSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658944964 1187806324 /nfs/dbraw/zinc/80/63/24/1187806324.db2.gz XASFPSIFWOYYOW-WMZOPIPTSA-N 2 2 380.533 0.498 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCCO[C@@H](C[NH3+])C3)C2)c1 ZINC000892609056 1187824745 /nfs/dbraw/zinc/82/47/45/1187824745.db2.gz KJVFECAOWFGEMH-RBUKOAKNSA-N 2 2 376.501 0.955 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCCO[C@@H](C[NH3+])C3)C2)c1 ZINC000892609056 1187824747 /nfs/dbraw/zinc/82/47/47/1187824747.db2.gz KJVFECAOWFGEMH-RBUKOAKNSA-N 2 2 376.501 0.955 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCCO[C@H](C[NH3+])C3)C2)c1 ZINC000892609057 1187824949 /nfs/dbraw/zinc/82/49/49/1187824949.db2.gz KJVFECAOWFGEMH-RTBURBONSA-N 2 2 376.501 0.955 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCCO[C@H](C[NH3+])C3)C2)c1 ZINC000892609057 1187824953 /nfs/dbraw/zinc/82/49/53/1187824953.db2.gz KJVFECAOWFGEMH-RTBURBONSA-N 2 2 376.501 0.955 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892613736 1187831147 /nfs/dbraw/zinc/83/11/47/1187831147.db2.gz GCFJHKTVGBYMKI-OWLYRPNTSA-N 2 2 385.468 0.750 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892613736 1187831153 /nfs/dbraw/zinc/83/11/53/1187831153.db2.gz GCFJHKTVGBYMKI-OWLYRPNTSA-N 2 2 385.468 0.750 20 0 GCADLP C[C@](O)(CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000176324867 1187845491 /nfs/dbraw/zinc/84/54/91/1187845491.db2.gz QGCKEIWXPLYNEY-NRFANRHFSA-N 2 2 390.528 0.398 20 0 GCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC2)C1 ZINC000659257056 1187920887 /nfs/dbraw/zinc/92/08/87/1187920887.db2.gz WKWVHJLZJJGZAW-ZWKOTPCHSA-N 2 2 388.516 0.285 20 0 GCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC2)C1 ZINC000659257056 1187920890 /nfs/dbraw/zinc/92/08/90/1187920890.db2.gz WKWVHJLZJJGZAW-ZWKOTPCHSA-N 2 2 388.516 0.285 20 0 GCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659255013 1187921885 /nfs/dbraw/zinc/92/18/85/1187921885.db2.gz DBAKVLQWINVLDV-QGZVFWFLSA-N 2 2 391.516 0.863 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344795 1187946140 /nfs/dbraw/zinc/94/61/40/1187946140.db2.gz KVPRJRITFFEGSP-ROUUACIJSA-N 3 2 379.549 0.166 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344795 1187946144 /nfs/dbraw/zinc/94/61/44/1187946144.db2.gz KVPRJRITFFEGSP-ROUUACIJSA-N 3 2 379.549 0.166 20 0 GCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344578 1187946276 /nfs/dbraw/zinc/94/62/76/1187946276.db2.gz GXNXPBVKHXXTIM-SFHVURJKSA-N 3 2 393.576 0.556 20 0 GCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344578 1187946278 /nfs/dbraw/zinc/94/62/78/1187946278.db2.gz GXNXPBVKHXXTIM-SFHVURJKSA-N 3 2 393.576 0.556 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000659344510 1187946859 /nfs/dbraw/zinc/94/68/59/1187946859.db2.gz ATSZYULPEVIZNO-KBAYOESNSA-N 2 2 380.533 0.639 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000659344510 1187946862 /nfs/dbraw/zinc/94/68/62/1187946862.db2.gz ATSZYULPEVIZNO-KBAYOESNSA-N 2 2 380.533 0.639 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@H](C)C1 ZINC000589239996 1187953181 /nfs/dbraw/zinc/95/31/81/1187953181.db2.gz WCNVNZBVCOFUSE-CVEARBPZSA-N 2 2 396.532 0.319 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@H](C)C1 ZINC000589239996 1187953182 /nfs/dbraw/zinc/95/31/82/1187953182.db2.gz WCNVNZBVCOFUSE-CVEARBPZSA-N 2 2 396.532 0.319 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@H](C)C1 ZINC000589239996 1187953186 /nfs/dbraw/zinc/95/31/86/1187953186.db2.gz WCNVNZBVCOFUSE-CVEARBPZSA-N 2 2 396.532 0.319 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@H](C)C1 ZINC000589239996 1187953189 /nfs/dbraw/zinc/95/31/89/1187953189.db2.gz WCNVNZBVCOFUSE-CVEARBPZSA-N 2 2 396.532 0.319 20 0 GCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000376587133 1187954773 /nfs/dbraw/zinc/95/47/73/1187954773.db2.gz YZIMIQZDUXOJFO-QZTJIDSGSA-N 2 2 387.532 0.867 20 0 GCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000659430196 1187956325 /nfs/dbraw/zinc/95/63/25/1187956325.db2.gz DGHMLPOTCZRBNR-UHFFFAOYSA-N 2 2 386.456 0.473 20 0 GCADLP [NH3+]C1(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCCC1 ZINC000659574118 1187972550 /nfs/dbraw/zinc/97/25/50/1187972550.db2.gz RUWKBKIBEFJZJY-UHFFFAOYSA-N 2 2 389.504 0.416 20 0 GCADLP [NH3+]C1(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCCC1 ZINC000659574118 1187972553 /nfs/dbraw/zinc/97/25/53/1187972553.db2.gz RUWKBKIBEFJZJY-UHFFFAOYSA-N 2 2 389.504 0.416 20 0 GCADLP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000655468140 1187987789 /nfs/dbraw/zinc/98/77/89/1187987789.db2.gz INDSUBPVWBIRSC-RXVVDRJESA-N 3 2 391.560 0.073 20 0 GCADLP CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000655468141 1187988047 /nfs/dbraw/zinc/98/80/47/1187988047.db2.gz INDSUBPVWBIRSC-WIYYLYMNSA-N 3 2 391.560 0.073 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000659672767 1187991332 /nfs/dbraw/zinc/99/13/32/1187991332.db2.gz BJWUJEWFOLZPSZ-NZSAHSFTSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000659672767 1187991336 /nfs/dbraw/zinc/99/13/36/1187991336.db2.gz BJWUJEWFOLZPSZ-NZSAHSFTSA-N 2 2 388.512 0.589 20 0 GCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000659686793 1187997587 /nfs/dbraw/zinc/99/75/87/1187997587.db2.gz JSUUAXKSBPCHCQ-UHFFFAOYSA-N 2 2 392.500 0.210 20 0 GCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)CC1 ZINC001025436991 1188007490 /nfs/dbraw/zinc/00/74/90/1188007490.db2.gz RPRKAOOMECNMPX-JOCBIADPSA-N 2 2 389.500 0.322 20 0 GCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)CC1 ZINC001025436991 1188007496 /nfs/dbraw/zinc/00/74/96/1188007496.db2.gz RPRKAOOMECNMPX-JOCBIADPSA-N 2 2 389.500 0.322 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c2)CC1 ZINC000415345686 1188057249 /nfs/dbraw/zinc/05/72/49/1188057249.db2.gz ZBDKWMSWIRKLDG-HNNXBMFYSA-N 2 2 387.484 0.110 20 0 GCADLP Cc1ccc([C@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000175723302 1188085349 /nfs/dbraw/zinc/08/53/49/1188085349.db2.gz AMXMKGUVFBJWMO-OALUTQOASA-N 2 2 378.517 0.932 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000415468950 1188087458 /nfs/dbraw/zinc/08/74/58/1188087458.db2.gz WJAGKXQCLRYNGY-QFBILLFUSA-N 2 2 387.528 0.958 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415539097 1188101301 /nfs/dbraw/zinc/10/13/01/1188101301.db2.gz LGDHMQBUYAQXSJ-IYBDPMFKSA-N 2 2 392.500 0.587 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415539097 1188101303 /nfs/dbraw/zinc/10/13/03/1188101303.db2.gz LGDHMQBUYAQXSJ-IYBDPMFKSA-N 2 2 392.500 0.587 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021056 1188102513 /nfs/dbraw/zinc/10/25/13/1188102513.db2.gz CTVIKRDLCZKVHG-UHOSZYNNSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021056 1188102517 /nfs/dbraw/zinc/10/25/17/1188102517.db2.gz CTVIKRDLCZKVHG-UHOSZYNNSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021056 1188102519 /nfs/dbraw/zinc/10/25/19/1188102519.db2.gz CTVIKRDLCZKVHG-UHOSZYNNSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021056 1188102522 /nfs/dbraw/zinc/10/25/22/1188102522.db2.gz CTVIKRDLCZKVHG-UHOSZYNNSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(CN4CCNC4=O)CC3)C2)CC1 ZINC000893021502 1188103962 /nfs/dbraw/zinc/10/39/62/1188103962.db2.gz GLTYSDISTFYHBV-QGZVFWFLSA-N 2 2 392.548 0.602 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(CN4CCNC4=O)CC3)C2)CC1 ZINC000893021502 1188103963 /nfs/dbraw/zinc/10/39/63/1188103963.db2.gz GLTYSDISTFYHBV-QGZVFWFLSA-N 2 2 392.548 0.602 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000415747381 1188156976 /nfs/dbraw/zinc/15/69/76/1188156976.db2.gz OPOKAYKTSYGXDB-RBUKOAKNSA-N 2 2 399.539 0.831 20 0 GCADLP C[NH+](C)C[C@H]1CCN(c2nc(NC3CC3)nc(N3CC[C@H](C[NH+](C)C)C3)[nH+]2)C1 ZINC000893118752 1189373517 /nfs/dbraw/zinc/37/35/17/1189373517.db2.gz JKWCUERVBLGHMD-HZPDHXFCSA-N 3 2 388.564 0.644 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415860746 1189385105 /nfs/dbraw/zinc/38/51/05/1189385105.db2.gz VHCQHMLQRAPJPL-GOSISDBHSA-N 2 2 396.495 0.845 20 0 GCADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000415864485 1189390541 /nfs/dbraw/zinc/39/05/41/1189390541.db2.gz MIGWFBMEWAAKEM-KRWDZBQOSA-N 2 2 383.452 0.930 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415880411 1189395518 /nfs/dbraw/zinc/39/55/18/1189395518.db2.gz RQXYZSDJFYJTSA-NLWGTHIKSA-N 2 2 399.539 0.877 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415880408 1189395557 /nfs/dbraw/zinc/39/55/57/1189395557.db2.gz RQXYZSDJFYJTSA-CMKODMSKSA-N 2 2 399.539 0.877 20 0 GCADLP CN(C(=O)c1ccc(CNS(C)(=O)=O)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378047949 1189411529 /nfs/dbraw/zinc/41/15/29/1189411529.db2.gz PFWBUMZPWKOJKM-OAHLLOKOSA-N 2 2 398.529 0.569 20 0 GCADLP CN(C(=O)c1ccc(CNS(C)(=O)=O)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378047949 1189411538 /nfs/dbraw/zinc/41/15/38/1189411538.db2.gz PFWBUMZPWKOJKM-OAHLLOKOSA-N 2 2 398.529 0.569 20 0 GCADLP CN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651314888 1189428613 /nfs/dbraw/zinc/42/86/13/1189428613.db2.gz KNBRDOQPTNKINO-MRXNPFEDSA-N 2 2 376.505 0.008 20 0 GCADLP CN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651314888 1189428616 /nfs/dbraw/zinc/42/86/16/1189428616.db2.gz KNBRDOQPTNKINO-MRXNPFEDSA-N 2 2 376.505 0.008 20 0 GCADLP CN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C[NH+]1CCCC1 ZINC000416335033 1189493466 /nfs/dbraw/zinc/49/34/66/1189493466.db2.gz SPYACBUBKNKIEP-KRWDZBQOSA-N 2 2 380.533 0.500 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000378409567 1189499259 /nfs/dbraw/zinc/49/92/59/1189499259.db2.gz MIFJLDRAONXBOA-QRVBRYPASA-N 2 2 397.560 0.806 20 0 GCADLP CC(C)[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000378409560 1189499338 /nfs/dbraw/zinc/49/93/38/1189499338.db2.gz MIFJLDRAONXBOA-GUDVDZBRSA-N 2 2 397.560 0.806 20 0 GCADLP CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000378437374 1189509487 /nfs/dbraw/zinc/50/94/87/1189509487.db2.gz SIIWYQQNUREZMV-QZTJIDSGSA-N 2 2 395.548 0.480 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000511570518 1189557181 /nfs/dbraw/zinc/55/71/81/1189557181.db2.gz DTBSHPRNRJQYEK-NJAFHUGGSA-N 2 2 381.480 0.951 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000511570518 1189557183 /nfs/dbraw/zinc/55/71/83/1189557183.db2.gz DTBSHPRNRJQYEK-NJAFHUGGSA-N 2 2 381.480 0.951 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000511570520 1189557212 /nfs/dbraw/zinc/55/72/12/1189557212.db2.gz DTBSHPRNRJQYEK-NXHRZFHOSA-N 2 2 381.480 0.951 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000511570520 1189557214 /nfs/dbraw/zinc/55/72/14/1189557214.db2.gz DTBSHPRNRJQYEK-NXHRZFHOSA-N 2 2 381.480 0.951 20 0 GCADLP COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000363908697 1189568379 /nfs/dbraw/zinc/56/83/79/1189568379.db2.gz HYQMEYTYZMGZEW-CQSZACIVSA-N 2 2 390.484 0.927 20 0 GCADLP COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000363908697 1189568383 /nfs/dbraw/zinc/56/83/83/1189568383.db2.gz HYQMEYTYZMGZEW-CQSZACIVSA-N 2 2 390.484 0.927 20 0 GCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000660068977 1189571670 /nfs/dbraw/zinc/57/16/70/1189571670.db2.gz FDWVKCFLNQMBTK-IBGZPJMESA-N 2 2 392.544 0.744 20 0 GCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000660068977 1189571675 /nfs/dbraw/zinc/57/16/75/1189571675.db2.gz FDWVKCFLNQMBTK-IBGZPJMESA-N 2 2 392.544 0.744 20 0 GCADLP COC[C@@]1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000416803447 1189583976 /nfs/dbraw/zinc/58/39/76/1189583976.db2.gz CFCZFULGGGAIRT-ICSRJNTNSA-N 2 2 376.501 0.955 20 0 GCADLP COC[C@@]1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000416803447 1189583980 /nfs/dbraw/zinc/58/39/80/1189583980.db2.gz CFCZFULGGGAIRT-ICSRJNTNSA-N 2 2 376.501 0.955 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000108919335 1189595573 /nfs/dbraw/zinc/59/55/73/1189595573.db2.gz QGSJNRNQTVWYAE-PKOBYXMFSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000511604706 1189621395 /nfs/dbraw/zinc/62/13/95/1189621395.db2.gz QKUVLCLDFAPNRX-KRWDZBQOSA-N 2 2 395.592 0.565 20 0 GCADLP [NH3+]CC(F)(F)CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417160296 1189625952 /nfs/dbraw/zinc/62/59/52/1189625952.db2.gz HPCVUJJGQUPOCP-UHFFFAOYSA-N 2 2 399.442 0.741 20 0 GCADLP [NH3+]C[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000417156925 1189628204 /nfs/dbraw/zinc/62/82/04/1189628204.db2.gz MFUUFWBRVKAAQE-QGZVFWFLSA-N 2 2 375.521 0.805 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584711409 1189635594 /nfs/dbraw/zinc/63/55/94/1189635594.db2.gz NTLUPALXGWVFSU-FGTMMUONSA-N 2 2 380.533 0.737 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584711409 1189635595 /nfs/dbraw/zinc/63/55/95/1189635595.db2.gz NTLUPALXGWVFSU-FGTMMUONSA-N 2 2 380.533 0.737 20 0 GCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660176924 1189635728 /nfs/dbraw/zinc/63/57/28/1189635728.db2.gz DEQVFXKQFJWEGU-KRWDZBQOSA-N 2 2 392.500 0.493 20 0 GCADLP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660182103 1189640937 /nfs/dbraw/zinc/64/09/37/1189640937.db2.gz WXWNQMCJVXINCZ-UHFFFAOYSA-N 2 2 396.557 0.553 20 0 GCADLP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660182103 1189640941 /nfs/dbraw/zinc/64/09/41/1189640941.db2.gz WXWNQMCJVXINCZ-UHFFFAOYSA-N 2 2 396.557 0.553 20 0 GCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417302422 1189641411 /nfs/dbraw/zinc/64/14/11/1189641411.db2.gz WFFBZANKZMWGDM-IBGZPJMESA-N 2 2 392.500 0.575 20 0 GCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@H]1C[NH2+]CCO1 ZINC000417297160 1189643134 /nfs/dbraw/zinc/64/31/34/1189643134.db2.gz NSEJDJCLQVQCAZ-GOSISDBHSA-N 2 2 378.473 0.185 20 0 GCADLP [NH3+]C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCCO1 ZINC000417297963 1189643232 /nfs/dbraw/zinc/64/32/32/1189643232.db2.gz PIGDFGJZFGHGJM-IBGZPJMESA-N 2 2 392.500 0.657 20 0 GCADLP C[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C[NH3+] ZINC000417365554 1189653848 /nfs/dbraw/zinc/65/38/48/1189653848.db2.gz JKNLAISHCVSDFT-SJORKVTESA-N 2 2 388.516 0.747 20 0 GCADLP C[C@@H](CCCC[NH3+])NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417371654 1189654478 /nfs/dbraw/zinc/65/44/78/1189654478.db2.gz XCKQNZFCULKKEX-INIZCTEOSA-N 2 2 376.505 0.937 20 0 GCADLP C[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C[NH3+])C1 ZINC000417368816 1189654585 /nfs/dbraw/zinc/65/45/85/1189654585.db2.gz PIYOGZCXTSCBLW-DLBZAZTESA-N 2 2 388.516 0.889 20 0 GCADLP C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000417517963 1189675875 /nfs/dbraw/zinc/67/58/75/1189675875.db2.gz JYLYEZAMSVLKRC-MELADBBJSA-N 2 2 381.443 0.231 20 0 GCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@H]1CCC[NH2+]C1 ZINC000417618333 1189689744 /nfs/dbraw/zinc/68/97/44/1189689744.db2.gz GKQZZNURAIRESY-JKSUJKDBSA-N 2 2 389.504 0.333 20 0 GCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@H]1CCC[NH2+]C1 ZINC000417618333 1189689751 /nfs/dbraw/zinc/68/97/51/1189689751.db2.gz GKQZZNURAIRESY-JKSUJKDBSA-N 2 2 389.504 0.333 20 0 GCADLP CC[NH2+]CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417617273 1189690044 /nfs/dbraw/zinc/69/00/44/1189690044.db2.gz FHDPTFFWMOUWSA-OAHLLOKOSA-N 2 2 377.493 0.191 20 0 GCADLP CC[NH2+]CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417617273 1189690049 /nfs/dbraw/zinc/69/00/49/1189690049.db2.gz FHDPTFFWMOUWSA-OAHLLOKOSA-N 2 2 377.493 0.191 20 0 GCADLP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417615106 1189691001 /nfs/dbraw/zinc/69/10/01/1189691001.db2.gz CAKFPSVXHIPMSA-GJZGRUSLSA-N 2 2 377.493 0.319 20 0 GCADLP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417615106 1189691008 /nfs/dbraw/zinc/69/10/08/1189691008.db2.gz CAKFPSVXHIPMSA-GJZGRUSLSA-N 2 2 377.493 0.319 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417615285 1189691050 /nfs/dbraw/zinc/69/10/50/1189691050.db2.gz CJWGAWNYKBSCDA-HOTGVXAUSA-N 2 2 391.520 0.437 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417615285 1189691054 /nfs/dbraw/zinc/69/10/54/1189691054.db2.gz CJWGAWNYKBSCDA-HOTGVXAUSA-N 2 2 391.520 0.437 20 0 GCADLP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417629841 1189691948 /nfs/dbraw/zinc/69/19/48/1189691948.db2.gz VXFFTXDCQGSPBZ-HUUCEWRRSA-N 2 2 377.493 0.319 20 0 GCADLP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417629841 1189691952 /nfs/dbraw/zinc/69/19/52/1189691952.db2.gz VXFFTXDCQGSPBZ-HUUCEWRRSA-N 2 2 377.493 0.319 20 0 GCADLP CN(C(=O)NCCCN1C(=O)CCC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364277670 1189729672 /nfs/dbraw/zinc/72/96/72/1189729672.db2.gz DHKBHZZICMAYRR-INIZCTEOSA-N 2 2 379.505 0.335 20 0 GCADLP CN(C(=O)NCCCN1C(=O)CCC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364277670 1189729676 /nfs/dbraw/zinc/72/96/76/1189729676.db2.gz DHKBHZZICMAYRR-INIZCTEOSA-N 2 2 379.505 0.335 20 0 GCADLP O=C(NCCCN1CC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418297418 1189750798 /nfs/dbraw/zinc/75/07/98/1189750798.db2.gz KUOJXIXSWQJCEV-UHFFFAOYSA-N 2 2 375.517 0.688 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418410821 1189780057 /nfs/dbraw/zinc/78/00/57/1189780057.db2.gz CYYPJSFGNDFONI-INIZCTEOSA-N 2 2 391.520 0.518 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418410821 1189780059 /nfs/dbraw/zinc/78/00/59/1189780059.db2.gz CYYPJSFGNDFONI-INIZCTEOSA-N 2 2 391.520 0.518 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000728794050 1189782374 /nfs/dbraw/zinc/78/23/74/1189782374.db2.gz WHXMTLKTWWESPL-UHFFFAOYSA-N 2 2 385.578 0.069 20 0 GCADLP C[C@H]([C@H](C)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[NH+]1CCOCC1 ZINC000431983906 1189828564 /nfs/dbraw/zinc/82/85/64/1189828564.db2.gz FSKMEOJDDHSBDL-DLBZAZTESA-N 2 2 383.537 0.387 20 0 GCADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660469653 1189842963 /nfs/dbraw/zinc/84/29/63/1189842963.db2.gz QUHFQOUUQCHARW-MRXNPFEDSA-N 2 2 383.514 0.900 20 0 GCADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660469653 1189842970 /nfs/dbraw/zinc/84/29/70/1189842970.db2.gz QUHFQOUUQCHARW-MRXNPFEDSA-N 2 2 383.514 0.900 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H](O)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661066163 1189986577 /nfs/dbraw/zinc/98/65/77/1189986577.db2.gz YVMQRSUFSLFSTA-QRVBRYPASA-N 2 2 394.560 0.765 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@@H](O)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661066163 1189986578 /nfs/dbraw/zinc/98/65/78/1189986578.db2.gz YVMQRSUFSLFSTA-QRVBRYPASA-N 2 2 394.560 0.765 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000661178957 1190008883 /nfs/dbraw/zinc/00/88/83/1190008883.db2.gz CYMYKGUHOAPIPX-YTQUADARSA-N 2 2 398.507 0.656 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000661178957 1190008887 /nfs/dbraw/zinc/00/88/87/1190008887.db2.gz CYMYKGUHOAPIPX-YTQUADARSA-N 2 2 398.507 0.656 20 0 GCADLP Cc1c(C[NH3+])c(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1C ZINC000662834594 1190047169 /nfs/dbraw/zinc/04/71/69/1190047169.db2.gz BPVYMFCMNKCVLZ-UHFFFAOYSA-N 2 2 385.472 0.650 20 0 GCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662840612 1190049912 /nfs/dbraw/zinc/04/99/12/1190049912.db2.gz DOINKVUCOKBNJR-OALUTQOASA-N 2 2 392.544 0.405 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOCC2(CCCC2)C1 ZINC000661460939 1190051528 /nfs/dbraw/zinc/05/15/28/1190051528.db2.gz NUVZJBITZYGUIC-UHFFFAOYSA-N 2 2 394.560 0.890 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOCC2(CCCC2)C1 ZINC000661460939 1190051532 /nfs/dbraw/zinc/05/15/32/1190051532.db2.gz NUVZJBITZYGUIC-UHFFFAOYSA-N 2 2 394.560 0.890 20 0 GCADLP CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000663946434 1193735510 /nfs/dbraw/zinc/73/55/10/1193735510.db2.gz OUWCRNNENKBATJ-OAHLLOKOSA-N 2 2 399.561 0.838 20 0 GCADLP CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000663946434 1193735514 /nfs/dbraw/zinc/73/55/14/1193735514.db2.gz OUWCRNNENKBATJ-OAHLLOKOSA-N 2 2 399.561 0.838 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)CC2 ZINC000419234391 1193744168 /nfs/dbraw/zinc/74/41/68/1193744168.db2.gz LWXZJIBLGQGEAJ-INIZCTEOSA-N 2 2 390.484 0.046 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)CC2 ZINC000419234391 1193744169 /nfs/dbraw/zinc/74/41/69/1193744169.db2.gz LWXZJIBLGQGEAJ-INIZCTEOSA-N 2 2 390.484 0.046 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433135425 1193762790 /nfs/dbraw/zinc/76/27/90/1193762790.db2.gz NMZYRQTWPUPICD-UHFFFAOYSA-N 3 2 381.565 0.592 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433135425 1193762795 /nfs/dbraw/zinc/76/27/95/1193762795.db2.gz NMZYRQTWPUPICD-UHFFFAOYSA-N 3 2 381.565 0.592 20 0 GCADLP [NH3+][C@H](CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000419266625 1193777457 /nfs/dbraw/zinc/77/74/57/1193777457.db2.gz HEOWFGHPPPMWCG-HXUWFJFHSA-N 2 2 396.491 0.951 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419272693 1193778546 /nfs/dbraw/zinc/77/85/46/1193778546.db2.gz VUKYTFGAVRNWFZ-IBGZPJMESA-N 2 2 388.512 0.736 20 0 GCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000419344001 1193836776 /nfs/dbraw/zinc/83/67/76/1193836776.db2.gz RJPRUFOTDBFOKT-QGZVFWFLSA-N 2 2 387.528 0.261 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385161 1193894245 /nfs/dbraw/zinc/89/42/45/1193894245.db2.gz HJASHRYLPJDFOP-BZUAXINKSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385161 1193894246 /nfs/dbraw/zinc/89/42/46/1193894246.db2.gz HJASHRYLPJDFOP-BZUAXINKSA-N 2 2 380.876 0.388 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000419388967 1193900175 /nfs/dbraw/zinc/90/01/75/1193900175.db2.gz KUYIPRSWESLTEI-COXVUDFISA-N 2 2 394.903 0.648 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000419388967 1193900178 /nfs/dbraw/zinc/90/01/78/1193900178.db2.gz KUYIPRSWESLTEI-COXVUDFISA-N 2 2 394.903 0.648 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000419388970 1193900327 /nfs/dbraw/zinc/90/03/27/1193900327.db2.gz KUYIPRSWESLTEI-JQFCIGGWSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000419388970 1193900329 /nfs/dbraw/zinc/90/03/29/1193900329.db2.gz KUYIPRSWESLTEI-JQFCIGGWSA-N 2 2 394.903 0.648 20 0 GCADLP COc1cc[nH+]c(N2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)c1 ZINC000729164747 1193907276 /nfs/dbraw/zinc/90/72/76/1193907276.db2.gz NHBOXDPMZRGBCR-UHFFFAOYSA-N 2 2 379.530 0.809 20 0 GCADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)C1CCOCC1 ZINC000261769560 1193925886 /nfs/dbraw/zinc/92/58/86/1193925886.db2.gz FOXRNRWIKKWDEW-IEBWSBKVSA-N 2 2 377.485 0.324 20 0 GCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)O1 ZINC000333402629 1193928683 /nfs/dbraw/zinc/92/86/83/1193928683.db2.gz QFDUIVQBLZAMQI-IXDOHACOSA-N 2 2 395.548 0.480 20 0 GCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)O1 ZINC000333402629 1193928687 /nfs/dbraw/zinc/92/86/87/1193928687.db2.gz QFDUIVQBLZAMQI-IXDOHACOSA-N 2 2 395.548 0.480 20 0 GCADLP C[NH2+]CCC(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000262387407 1193946620 /nfs/dbraw/zinc/94/66/20/1193946620.db2.gz NTYWLWHWAAPWHV-UHFFFAOYSA-N 2 2 376.501 0.498 20 0 GCADLP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262464992 1193948528 /nfs/dbraw/zinc/94/85/28/1193948528.db2.gz NMYMTLQOVRGLMO-LJQANCHMSA-N 2 2 388.512 0.545 20 0 GCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262478022 1193949001 /nfs/dbraw/zinc/94/90/01/1193949001.db2.gz ZCWFYSFLAUQTLL-HNNXBMFYSA-N 2 2 376.457 0.400 20 0 GCADLP C[NH2+][C@@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1cnn(C)c1 ZINC000262595531 1193952201 /nfs/dbraw/zinc/95/22/01/1193952201.db2.gz WZGWDFRGEPLMQH-LJQANCHMSA-N 2 2 384.484 0.900 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccc(F)cc2)O1 ZINC001087465558 1193952701 /nfs/dbraw/zinc/95/27/01/1193952701.db2.gz VOKVUCAIEHAXPH-UTRMSSBJSA-N 2 2 379.476 0.811 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccc(F)cc2)O1 ZINC001087465558 1193952702 /nfs/dbraw/zinc/95/27/02/1193952702.db2.gz VOKVUCAIEHAXPH-UTRMSSBJSA-N 2 2 379.476 0.811 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccc(F)cc2)O1 ZINC001087465558 1193952703 /nfs/dbraw/zinc/95/27/03/1193952703.db2.gz VOKVUCAIEHAXPH-UTRMSSBJSA-N 2 2 379.476 0.811 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2ccc(F)cc2)O1 ZINC001087465558 1193952706 /nfs/dbraw/zinc/95/27/06/1193952706.db2.gz VOKVUCAIEHAXPH-UTRMSSBJSA-N 2 2 379.476 0.811 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419396859 1193971012 /nfs/dbraw/zinc/97/10/12/1193971012.db2.gz WNQUBEAVDSMNHQ-JYJNAYRXSA-N 2 2 380.876 0.306 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419396859 1193971013 /nfs/dbraw/zinc/97/10/13/1193971013.db2.gz WNQUBEAVDSMNHQ-JYJNAYRXSA-N 2 2 380.876 0.306 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)[C@H](C)C[NH2+]1 ZINC000419398865 1194018284 /nfs/dbraw/zinc/01/82/84/1194018284.db2.gz IKJSIEWLQLDJPX-JFIYKMOQSA-N 2 2 390.553 0.929 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)[C@H](C)C[NH2+]1 ZINC000419398865 1194018292 /nfs/dbraw/zinc/01/82/92/1194018292.db2.gz IKJSIEWLQLDJPX-JFIYKMOQSA-N 2 2 390.553 0.929 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419397671 1194018588 /nfs/dbraw/zinc/01/85/88/1194018588.db2.gz YHQJJEGNOHEDJJ-JKSUJKDBSA-N 2 2 382.892 0.554 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419397671 1194018593 /nfs/dbraw/zinc/01/85/93/1194018593.db2.gz YHQJJEGNOHEDJJ-JKSUJKDBSA-N 2 2 382.892 0.554 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419397669 1194018793 /nfs/dbraw/zinc/01/87/93/1194018793.db2.gz YHQJJEGNOHEDJJ-HOTGVXAUSA-N 2 2 382.892 0.554 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419397669 1194018794 /nfs/dbraw/zinc/01/87/94/1194018794.db2.gz YHQJJEGNOHEDJJ-HOTGVXAUSA-N 2 2 382.892 0.554 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000419425445 1194026390 /nfs/dbraw/zinc/02/63/90/1194026390.db2.gz VRZGKCXWSCKGJQ-IEBWSBKVSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000419425445 1194026395 /nfs/dbraw/zinc/02/63/95/1194026395.db2.gz VRZGKCXWSCKGJQ-IEBWSBKVSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000419425445 1194026398 /nfs/dbraw/zinc/02/63/98/1194026398.db2.gz VRZGKCXWSCKGJQ-IEBWSBKVSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000419425445 1194026404 /nfs/dbraw/zinc/02/64/04/1194026404.db2.gz VRZGKCXWSCKGJQ-IEBWSBKVSA-N 2 2 387.528 0.302 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419414438 1194031088 /nfs/dbraw/zinc/03/10/88/1194031088.db2.gz MCLAWHCKNPKYCW-BHIYHBOVSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419414438 1194031091 /nfs/dbraw/zinc/03/10/91/1194031091.db2.gz MCLAWHCKNPKYCW-BHIYHBOVSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419414444 1194031734 /nfs/dbraw/zinc/03/17/34/1194031734.db2.gz MCLAWHCKNPKYCW-WDSOQIARSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419414444 1194031736 /nfs/dbraw/zinc/03/17/36/1194031736.db2.gz MCLAWHCKNPKYCW-WDSOQIARSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419446502 1194036644 /nfs/dbraw/zinc/03/66/44/1194036644.db2.gz FVYBXDPSXXBAFH-KZNAEPCWSA-N 2 2 387.528 0.522 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419504915 1194046857 /nfs/dbraw/zinc/04/68/57/1194046857.db2.gz KTPYLBKXMUXHNG-HOTGVXAUSA-N 2 2 391.491 0.260 20 0 GCADLP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501096861 1194055542 /nfs/dbraw/zinc/05/55/42/1194055542.db2.gz JLLLTXLBILHTHK-GOSISDBHSA-N 2 2 375.513 0.893 20 0 GCADLP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000501117558 1194062358 /nfs/dbraw/zinc/06/23/58/1194062358.db2.gz NBNQOAFRIHEKKY-QGZVFWFLSA-N 2 2 388.578 0.028 20 0 GCADLP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000501117558 1194062362 /nfs/dbraw/zinc/06/23/62/1194062362.db2.gz NBNQOAFRIHEKKY-QGZVFWFLSA-N 2 2 388.578 0.028 20 0 GCADLP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000419656382 1194074719 /nfs/dbraw/zinc/07/47/19/1194074719.db2.gz UEPFEHRXEFCYRU-WMZOPIPTSA-N 2 2 389.500 0.745 20 0 GCADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000419718241 1194092198 /nfs/dbraw/zinc/09/21/98/1194092198.db2.gz CWIYNQYVASFGFU-MSOLQXFVSA-N 2 2 385.468 0.660 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NCC(F)(F)C[NH3+])C[C@@H](C)O1 ZINC000419826309 1194110996 /nfs/dbraw/zinc/11/09/96/1194110996.db2.gz QYPVAXQQTQMVFF-ZIAGYGMSSA-N 2 2 398.454 0.622 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000419826308 1194111113 /nfs/dbraw/zinc/11/11/13/1194111113.db2.gz QYPVAXQQTQMVFF-OKILXGFUSA-N 2 2 398.454 0.622 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)NCC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000419826308 1194111116 /nfs/dbraw/zinc/11/11/16/1194111116.db2.gz QYPVAXQQTQMVFF-OKILXGFUSA-N 2 2 398.454 0.622 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419848190 1194113767 /nfs/dbraw/zinc/11/37/67/1194113767.db2.gz UCLPRFMNSFPILT-ROUUACIJSA-N 3 2 381.565 0.508 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419848190 1194113771 /nfs/dbraw/zinc/11/37/71/1194113771.db2.gz UCLPRFMNSFPILT-ROUUACIJSA-N 3 2 381.565 0.508 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000419850333 1194115277 /nfs/dbraw/zinc/11/52/77/1194115277.db2.gz FVHZJWDSOSUWNR-UHFFFAOYSA-N 2 2 388.516 0.815 20 0 GCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCCN2CC[NH2+]CC2)c1C ZINC000419870982 1194127821 /nfs/dbraw/zinc/12/78/21/1194127821.db2.gz PDURYYSTSCECDV-UHFFFAOYSA-N 2 2 377.489 0.077 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419908623 1194141474 /nfs/dbraw/zinc/14/14/74/1194141474.db2.gz IXIWEDTUADXROO-MOPGFXCFSA-N 3 2 395.592 0.898 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419908623 1194141476 /nfs/dbraw/zinc/14/14/76/1194141476.db2.gz IXIWEDTUADXROO-MOPGFXCFSA-N 3 2 395.592 0.898 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000419937237 1194145221 /nfs/dbraw/zinc/14/52/21/1194145221.db2.gz MWOPJYPVAMJFLW-MRXNPFEDSA-N 2 2 388.516 0.815 20 0 GCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000420022016 1194157646 /nfs/dbraw/zinc/15/76/46/1194157646.db2.gz VHEXHMRLGIPQFJ-HXUWFJFHSA-N 2 2 391.516 0.329 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420019560 1194163068 /nfs/dbraw/zinc/16/30/68/1194163068.db2.gz RFJGANLNJUXOHW-QYZOEREBSA-N 3 2 395.592 0.882 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420019560 1194163071 /nfs/dbraw/zinc/16/30/71/1194163071.db2.gz RFJGANLNJUXOHW-QYZOEREBSA-N 3 2 395.592 0.882 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420041977 1194166984 /nfs/dbraw/zinc/16/69/84/1194166984.db2.gz QFJIYAMKWXGGDT-HOCLYGCPSA-N 2 2 394.541 0.664 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420046375 1194168320 /nfs/dbraw/zinc/16/83/20/1194168320.db2.gz AAOGJNJDFBJKGB-SJORKVTESA-N 3 2 381.565 0.636 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420046375 1194168321 /nfs/dbraw/zinc/16/83/21/1194168321.db2.gz AAOGJNJDFBJKGB-SJORKVTESA-N 3 2 381.565 0.636 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420069140 1194171375 /nfs/dbraw/zinc/17/13/75/1194171375.db2.gz HPOKTJUGLGKFQP-QGZVFWFLSA-N 2 2 395.548 0.023 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420069140 1194171379 /nfs/dbraw/zinc/17/13/79/1194171379.db2.gz HPOKTJUGLGKFQP-QGZVFWFLSA-N 2 2 395.548 0.023 20 0 GCADLP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420088340 1194175433 /nfs/dbraw/zinc/17/54/33/1194175433.db2.gz DNPXCDJMJHOWGI-CRAIPNDOSA-N 2 2 392.450 0.833 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000420109285 1194180715 /nfs/dbraw/zinc/18/07/15/1194180715.db2.gz YUNPVYOXFAYFCH-YOEHRIQHSA-N 2 2 380.439 0.691 20 0 GCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@@H]1C ZINC000501602652 1194203191 /nfs/dbraw/zinc/20/31/91/1194203191.db2.gz VQTGGYXBNQBQFY-FUHWJXTLSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@@H]1C ZINC000501602652 1194203194 /nfs/dbraw/zinc/20/31/94/1194203194.db2.gz VQTGGYXBNQBQFY-FUHWJXTLSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1C ZINC000501602652 1194203196 /nfs/dbraw/zinc/20/31/96/1194203196.db2.gz VQTGGYXBNQBQFY-FUHWJXTLSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1C ZINC000501602652 1194203199 /nfs/dbraw/zinc/20/31/99/1194203199.db2.gz VQTGGYXBNQBQFY-FUHWJXTLSA-N 2 2 380.533 0.546 20 0 GCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501644611 1194218018 /nfs/dbraw/zinc/21/80/18/1194218018.db2.gz XQXHLOGDGWJUPQ-MSOLQXFVSA-N 2 2 380.533 0.282 20 0 GCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501644611 1194218021 /nfs/dbraw/zinc/21/80/21/1194218021.db2.gz XQXHLOGDGWJUPQ-MSOLQXFVSA-N 2 2 380.533 0.282 20 0 GCADLP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420358519 1194223825 /nfs/dbraw/zinc/22/38/25/1194223825.db2.gz JHZWKQPGYOEZGB-MRXNPFEDSA-N 2 2 380.514 0.720 20 0 GCADLP CCCn1c(N)c(C(=O)C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(=O)[nH]c1=O ZINC000420379114 1194224997 /nfs/dbraw/zinc/22/49/97/1194224997.db2.gz MPWDOCPDIMOOJP-CZUORRHYSA-N 2 2 393.488 0.342 20 0 GCADLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCO1 ZINC000420382423 1194225298 /nfs/dbraw/zinc/22/52/98/1194225298.db2.gz DLJDVAULOBGRPA-QGZVFWFLSA-N 2 2 399.513 0.136 20 0 GCADLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCO1 ZINC000420382423 1194225302 /nfs/dbraw/zinc/22/53/02/1194225302.db2.gz DLJDVAULOBGRPA-QGZVFWFLSA-N 2 2 399.513 0.136 20 0 GCADLP CN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C[C@@H]1CCC[N@@H+]1C ZINC000421004685 1194283111 /nfs/dbraw/zinc/28/31/11/1194283111.db2.gz OMUVQSNVTMSBTI-HNNXBMFYSA-N 2 2 386.504 0.038 20 0 GCADLP CN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C[C@@H]1CCC[N@H+]1C ZINC000421004685 1194283115 /nfs/dbraw/zinc/28/31/15/1194283115.db2.gz OMUVQSNVTMSBTI-HNNXBMFYSA-N 2 2 386.504 0.038 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421226502 1194312222 /nfs/dbraw/zinc/31/22/22/1194312222.db2.gz ORWVDTKSWDPLOS-QZTJIDSGSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421226502 1194312229 /nfs/dbraw/zinc/31/22/29/1194312229.db2.gz ORWVDTKSWDPLOS-QZTJIDSGSA-N 2 2 382.549 0.791 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000421292094 1194323926 /nfs/dbraw/zinc/32/39/26/1194323926.db2.gz AAHWEYCZXUCTEP-IBGZPJMESA-N 2 2 387.528 0.925 20 0 GCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000421292094 1194323929 /nfs/dbraw/zinc/32/39/29/1194323929.db2.gz AAHWEYCZXUCTEP-IBGZPJMESA-N 2 2 387.528 0.925 20 0 GCADLP CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502533800 1194331038 /nfs/dbraw/zinc/33/10/38/1194331038.db2.gz YTAGSXZLEUGKSY-VSZNYVQBSA-N 2 2 380.533 0.815 20 0 GCADLP CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502533800 1194331043 /nfs/dbraw/zinc/33/10/43/1194331043.db2.gz YTAGSXZLEUGKSY-VSZNYVQBSA-N 2 2 380.533 0.815 20 0 GCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000502854272 1194362893 /nfs/dbraw/zinc/36/28/93/1194362893.db2.gz DCSLZHQPDBUPLN-OALUTQOASA-N 2 2 388.512 0.844 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000422105284 1194386780 /nfs/dbraw/zinc/38/67/80/1194386780.db2.gz PWGDBFYAEZDGNT-INIZCTEOSA-N 2 2 378.542 0.987 20 0 GCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000422105284 1194386784 /nfs/dbraw/zinc/38/67/84/1194386784.db2.gz PWGDBFYAEZDGNT-INIZCTEOSA-N 2 2 378.542 0.987 20 0 GCADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000503183692 1194403663 /nfs/dbraw/zinc/40/36/63/1194403663.db2.gz URAASZSTAAABIM-KGLIPLIRSA-N 2 2 379.505 0.339 20 0 GCADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000503183694 1194403752 /nfs/dbraw/zinc/40/37/52/1194403752.db2.gz URAASZSTAAABIM-UONOGXRCSA-N 2 2 379.505 0.339 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3=CC[N@H+](C)CC3)c2)CC1 ZINC000271847255 1194417239 /nfs/dbraw/zinc/41/72/39/1194417239.db2.gz GWEBJMDFBRDVEY-UHFFFAOYSA-N 2 2 385.512 0.751 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3=CC[N@@H+](C)CC3)c2)CC1 ZINC000271847255 1194417240 /nfs/dbraw/zinc/41/72/40/1194417240.db2.gz GWEBJMDFBRDVEY-UHFFFAOYSA-N 2 2 385.512 0.751 20 0 GCADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1cccc(OC)c1 ZINC000272283172 1194446437 /nfs/dbraw/zinc/44/64/37/1194446437.db2.gz DEHHXEUIEXBXIA-DLBZAZTESA-N 2 2 385.530 0.956 20 0 GCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272677455 1194487060 /nfs/dbraw/zinc/48/70/60/1194487060.db2.gz LZZFNGRAAYIIOQ-OAHLLOKOSA-N 2 2 378.473 0.731 20 0 GCADLP O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000272828658 1194507082 /nfs/dbraw/zinc/50/70/82/1194507082.db2.gz HKKCEXUTJWQLGA-SJORKVTESA-N 2 2 380.514 0.138 20 0 GCADLP CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000545915036 1194515808 /nfs/dbraw/zinc/51/58/08/1194515808.db2.gz RSNJJJPPBVPLHN-ROUUACIJSA-N 2 2 391.578 0.765 20 0 GCADLP CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000545915036 1194515811 /nfs/dbraw/zinc/51/58/11/1194515811.db2.gz RSNJJJPPBVPLHN-ROUUACIJSA-N 2 2 391.578 0.765 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983122486 1194574116 /nfs/dbraw/zinc/57/41/16/1194574116.db2.gz SIVLUJUWDIXUJR-YFHUEUNASA-N 2 2 391.516 0.581 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983122486 1194574120 /nfs/dbraw/zinc/57/41/20/1194574120.db2.gz SIVLUJUWDIXUJR-YFHUEUNASA-N 2 2 391.516 0.581 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)CC1 ZINC000422213048 1194592117 /nfs/dbraw/zinc/59/21/17/1194592117.db2.gz XZGMIGVJBVQUCR-UHFFFAOYSA-N 2 2 389.566 0.079 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)CC1 ZINC000422213048 1194592122 /nfs/dbraw/zinc/59/21/22/1194592122.db2.gz XZGMIGVJBVQUCR-UHFFFAOYSA-N 2 2 389.566 0.079 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000422256809 1194594639 /nfs/dbraw/zinc/59/46/39/1194594639.db2.gz GHIINVGTVRJPHR-SJORKVTESA-N 2 2 398.548 0.029 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000422256809 1194594642 /nfs/dbraw/zinc/59/46/42/1194594642.db2.gz GHIINVGTVRJPHR-SJORKVTESA-N 2 2 398.548 0.029 20 0 GCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422472245 1194647550 /nfs/dbraw/zinc/64/75/50/1194647550.db2.gz LQMYEBZSFFCSJB-UHFFFAOYSA-N 2 2 398.548 0.174 20 0 GCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422473792 1194647627 /nfs/dbraw/zinc/64/76/27/1194647627.db2.gz OJYVPAIWVDTJIN-UHFFFAOYSA-N 2 2 398.548 0.030 20 0 GCADLP CO[C@@](C)([C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000422536549 1194664873 /nfs/dbraw/zinc/66/48/73/1194664873.db2.gz XPGLLYUUNXQCOX-YWZLYKJASA-N 2 2 382.549 0.791 20 0 GCADLP CO[C@@](C)([C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000422536549 1194664874 /nfs/dbraw/zinc/66/48/74/1194664874.db2.gz XPGLLYUUNXQCOX-YWZLYKJASA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)[NH+]1CCOCC1 ZINC000414673992 1194676415 /nfs/dbraw/zinc/67/64/15/1194676415.db2.gz DGVVTISFJTYOFD-KRWDZBQOSA-N 2 2 392.500 0.826 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)[NH+]1CCOCC1 ZINC000414675763 1194679366 /nfs/dbraw/zinc/67/93/66/1194679366.db2.gz GOUXMALOWOUOQV-QGZVFWFLSA-N 2 2 378.473 0.436 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636615 1194679800 /nfs/dbraw/zinc/67/98/00/1194679800.db2.gz NFQNEDBTAXCGSO-HOSILWTGSA-N 2 2 394.541 0.917 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636615 1194679801 /nfs/dbraw/zinc/67/98/01/1194679801.db2.gz NFQNEDBTAXCGSO-HOSILWTGSA-N 2 2 394.541 0.917 20 0 GCADLP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880829 1194704771 /nfs/dbraw/zinc/70/47/71/1194704771.db2.gz OVKPAVYEIJCQOU-IRXDYDNUSA-N 3 2 382.549 0.840 20 0 GCADLP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880829 1194704772 /nfs/dbraw/zinc/70/47/72/1194704772.db2.gz OVKPAVYEIJCQOU-IRXDYDNUSA-N 3 2 382.549 0.840 20 0 GCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422940229 1194709950 /nfs/dbraw/zinc/70/99/50/1194709950.db2.gz SNWARHBUEZCYBC-ROUUACIJSA-N 2 2 383.514 0.468 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc(C)[nH+]1 ZINC000422966479 1194711153 /nfs/dbraw/zinc/71/11/53/1194711153.db2.gz AGQVXYOLOBTTTC-INIZCTEOSA-N 2 2 375.473 0.161 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423128169 1194729738 /nfs/dbraw/zinc/72/97/38/1194729738.db2.gz KLIMGLWXVBVWHZ-SZMVWBNQSA-N 3 2 379.549 0.057 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423128169 1194729740 /nfs/dbraw/zinc/72/97/40/1194729740.db2.gz KLIMGLWXVBVWHZ-SZMVWBNQSA-N 3 2 379.549 0.057 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414723387 1194738218 /nfs/dbraw/zinc/73/82/18/1194738218.db2.gz PISWQKHBNLHOKI-UHFFFAOYSA-N 2 2 389.500 0.487 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414723387 1194738220 /nfs/dbraw/zinc/73/82/20/1194738220.db2.gz PISWQKHBNLHOKI-UHFFFAOYSA-N 2 2 389.500 0.487 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000423262768 1194743074 /nfs/dbraw/zinc/74/30/74/1194743074.db2.gz VYWVJIRQRRGKAN-RYQLBKOJSA-N 2 2 386.496 0.578 20 0 GCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000423258239 1194744418 /nfs/dbraw/zinc/74/44/18/1194744418.db2.gz LVHCRWONXFNXDV-IRXDYDNUSA-N 2 2 388.512 0.968 20 0 GCADLP Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000414728997 1194745826 /nfs/dbraw/zinc/74/58/26/1194745826.db2.gz DRQCPEBCYJQECK-QGZVFWFLSA-N 2 2 394.541 0.499 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C[C@H](C)O1 ZINC000423322051 1194748594 /nfs/dbraw/zinc/74/85/94/1194748594.db2.gz IKYFPLBSEVSJLX-JZXOWHBKSA-N 2 2 394.560 0.791 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C[C@H](C)O1 ZINC000423322051 1194748597 /nfs/dbraw/zinc/74/85/97/1194748597.db2.gz IKYFPLBSEVSJLX-JZXOWHBKSA-N 2 2 394.560 0.791 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423358554 1194751045 /nfs/dbraw/zinc/75/10/45/1194751045.db2.gz BQLZZINRRNWTGG-SFHVURJKSA-N 2 2 380.533 0.404 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423368469 1194751851 /nfs/dbraw/zinc/75/18/51/1194751851.db2.gz NFROASFWYMERCJ-ROUUACIJSA-N 2 2 380.533 0.404 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423497992 1194759542 /nfs/dbraw/zinc/75/95/42/1194759542.db2.gz AUWRMCGUFMPEKK-NXHRZFHOSA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423497992 1194759545 /nfs/dbraw/zinc/75/95/45/1194759545.db2.gz AUWRMCGUFMPEKK-NXHRZFHOSA-N 3 2 379.549 0.342 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000423505871 1194759880 /nfs/dbraw/zinc/75/98/80/1194759880.db2.gz HMXYFGKFOPMZSW-BHIYHBOVSA-N 3 2 393.576 0.602 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000423505871 1194759881 /nfs/dbraw/zinc/75/98/81/1194759881.db2.gz HMXYFGKFOPMZSW-BHIYHBOVSA-N 3 2 393.576 0.602 20 0 GCADLP O=C(C(=O)N1CC[NH2+]CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000423487186 1194760800 /nfs/dbraw/zinc/76/08/00/1194760800.db2.gz CEBBFTPZQQXOOR-UHFFFAOYSA-N 2 2 375.860 0.997 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423528517 1194761135 /nfs/dbraw/zinc/76/11/35/1194761135.db2.gz NKDDLLNERRLJBB-OALUTQOASA-N 3 2 395.592 0.850 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423528517 1194761137 /nfs/dbraw/zinc/76/11/37/1194761137.db2.gz NKDDLLNERRLJBB-OALUTQOASA-N 3 2 395.592 0.850 20 0 GCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517728 1194762162 /nfs/dbraw/zinc/76/21/62/1194762162.db2.gz OGYXAYNFHXVALE-AEFFLSMTSA-N 3 2 398.573 0.946 20 0 GCADLP COC(=O)C[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414749008 1194762455 /nfs/dbraw/zinc/76/24/55/1194762455.db2.gz PHAMKLLDAZZNBR-HNNXBMFYSA-N 2 2 393.484 0.876 20 0 GCADLP COC(=O)C[N@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414749008 1194762458 /nfs/dbraw/zinc/76/24/58/1194762458.db2.gz PHAMKLLDAZZNBR-HNNXBMFYSA-N 2 2 393.484 0.876 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423527674 1194763322 /nfs/dbraw/zinc/76/33/22/1194763322.db2.gz MKODOAQPTODQIE-UHOSZYNNSA-N 3 2 393.576 0.732 20 0 GCADLP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423527674 1194763325 /nfs/dbraw/zinc/76/33/25/1194763325.db2.gz MKODOAQPTODQIE-UHOSZYNNSA-N 3 2 393.576 0.732 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[C@H](C)C1 ZINC000423539561 1194765033 /nfs/dbraw/zinc/76/50/33/1194765033.db2.gz OXGWHRYOUCVXGT-NVXWUHKLSA-N 2 2 394.516 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[C@H](C)C1 ZINC000423539561 1194765035 /nfs/dbraw/zinc/76/50/35/1194765035.db2.gz OXGWHRYOUCVXGT-NVXWUHKLSA-N 2 2 394.516 0.073 20 0 GCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000423620519 1194777603 /nfs/dbraw/zinc/77/76/03/1194777603.db2.gz WOFYIPABDVZCAZ-MRXNPFEDSA-N 2 2 388.516 0.767 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000423665303 1194781591 /nfs/dbraw/zinc/78/15/91/1194781591.db2.gz HEDHCDZTESMMKH-CEXWTWQISA-N 2 2 388.512 0.336 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000423665303 1194781592 /nfs/dbraw/zinc/78/15/92/1194781592.db2.gz HEDHCDZTESMMKH-CEXWTWQISA-N 2 2 388.512 0.336 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000423665331 1194781603 /nfs/dbraw/zinc/78/16/03/1194781603.db2.gz HFEZHHFJZRHKKY-HZPDHXFCSA-N 2 2 388.516 0.753 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)[C@H](C[NH3+])C1 ZINC000423668218 1194782398 /nfs/dbraw/zinc/78/23/98/1194782398.db2.gz JWRLIPRXSGKMFE-RBUKOAKNSA-N 2 2 388.512 0.604 20 0 GCADLP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C[NH3+])C1 ZINC000423668213 1194782495 /nfs/dbraw/zinc/78/24/95/1194782495.db2.gz JWRLIPRXSGKMFE-MOPGFXCFSA-N 2 2 388.512 0.604 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000423681478 1194785284 /nfs/dbraw/zinc/78/52/84/1194785284.db2.gz VHDGMECZAGFVAH-QXAKKESOSA-N 2 2 388.512 0.684 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000423681478 1194785288 /nfs/dbraw/zinc/78/52/88/1194785288.db2.gz VHDGMECZAGFVAH-QXAKKESOSA-N 2 2 388.512 0.684 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000423683640 1194785388 /nfs/dbraw/zinc/78/53/88/1194785388.db2.gz WUCVIIRHTVLKNY-UHFFFAOYSA-N 2 2 376.501 0.545 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000423681476 1194785415 /nfs/dbraw/zinc/78/54/15/1194785415.db2.gz VHDGMECZAGFVAH-BHIYHBOVSA-N 2 2 388.512 0.684 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000423681476 1194785416 /nfs/dbraw/zinc/78/54/16/1194785416.db2.gz VHDGMECZAGFVAH-BHIYHBOVSA-N 2 2 388.512 0.684 20 0 GCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000423711754 1194787601 /nfs/dbraw/zinc/78/76/01/1194787601.db2.gz UTKZWLDRKBWPOH-SFHVURJKSA-N 2 2 386.496 0.865 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000423720051 1194788481 /nfs/dbraw/zinc/78/84/81/1194788481.db2.gz CXZSRZSXRBXDIU-OALUTQOASA-N 2 2 394.560 0.936 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423733352 1194792352 /nfs/dbraw/zinc/79/23/52/1194792352.db2.gz PUCKGPFBXIHLNP-MSOLQXFVSA-N 2 2 380.533 0.548 20 0 GCADLP [NH3+]C1(CNC(=O)CNC(=O)c2ncccc2O)CC[NH+](Cc2ccccc2)CC1 ZINC000424016442 1194798899 /nfs/dbraw/zinc/79/88/99/1194798899.db2.gz CQXJBRABRNIHHC-UHFFFAOYSA-N 2 2 397.479 0.627 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c(=O)[nH]c1=O ZINC000647934933 1194805333 /nfs/dbraw/zinc/80/53/33/1194805333.db2.gz VCCUEWLLWLNMBV-KBPBESRZSA-N 2 2 394.520 0.743 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c(=O)[nH]c1=O ZINC000647934933 1194805335 /nfs/dbraw/zinc/80/53/35/1194805335.db2.gz VCCUEWLLWLNMBV-KBPBESRZSA-N 2 2 394.520 0.743 20 0 GCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000424330823 1194808527 /nfs/dbraw/zinc/80/85/27/1194808527.db2.gz INTUKIXHLSVZCO-IAGOWNOFSA-N 2 2 380.514 0.379 20 0 GCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424442391 1194811698 /nfs/dbraw/zinc/81/16/98/1194811698.db2.gz AAGCXOWMDRFYLZ-CQSZACIVSA-N 2 2 376.457 0.488 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424497471 1194817935 /nfs/dbraw/zinc/81/79/35/1194817935.db2.gz XGLUZLRGYVESIB-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424547777 1194823481 /nfs/dbraw/zinc/82/34/81/1194823481.db2.gz KMAVEAOAOYEXCE-IRXDYDNUSA-N 2 2 380.533 0.450 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@H]2[NH3+])cn1 ZINC000424548875 1194823624 /nfs/dbraw/zinc/82/36/24/1194823624.db2.gz LNLKUAKOTKDKJX-ZWKOTPCHSA-N 2 2 393.451 0.175 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424547775 1194823711 /nfs/dbraw/zinc/82/37/11/1194823711.db2.gz KMAVEAOAOYEXCE-IAGOWNOFSA-N 2 2 380.533 0.450 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424549411 1194824017 /nfs/dbraw/zinc/82/40/17/1194824017.db2.gz MHJBQMGKZJZCNZ-QZTJIDSGSA-N 2 2 394.560 0.840 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 ZINC000513880720 1194839462 /nfs/dbraw/zinc/83/94/62/1194839462.db2.gz CLEUQVLPPOFYKG-UHFFFAOYSA-N 2 2 388.468 0.337 20 0 GCADLP COc1ccccc1[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000435575816 1194944990 /nfs/dbraw/zinc/94/49/90/1194944990.db2.gz FANUEFLWSKWPEF-FUHWJXTLSA-N 2 2 394.516 0.632 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000436057400 1194982636 /nfs/dbraw/zinc/98/26/36/1194982636.db2.gz VTIZYZITFZZNJM-CYBMUJFWSA-N 2 2 381.502 0.393 20 0 GCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000436057400 1194982638 /nfs/dbraw/zinc/98/26/38/1194982638.db2.gz VTIZYZITFZZNJM-CYBMUJFWSA-N 2 2 381.502 0.393 20 0 GCADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061220 1194982945 /nfs/dbraw/zinc/98/29/45/1194982945.db2.gz SWSCOFGYGZUARS-QGZVFWFLSA-N 2 2 375.473 0.903 20 0 GCADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061220 1194982946 /nfs/dbraw/zinc/98/29/46/1194982946.db2.gz SWSCOFGYGZUARS-QGZVFWFLSA-N 2 2 375.473 0.903 20 0 GCADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061703 1194983430 /nfs/dbraw/zinc/98/34/30/1194983430.db2.gz HYNLNGPJIZBYJY-QGZVFWFLSA-N 2 2 389.500 0.646 20 0 GCADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061703 1194983433 /nfs/dbraw/zinc/98/34/33/1194983433.db2.gz HYNLNGPJIZBYJY-QGZVFWFLSA-N 2 2 389.500 0.646 20 0 GCADLP CS(=O)(=O)c1cccc(OCC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436052658 1194983901 /nfs/dbraw/zinc/98/39/01/1194983901.db2.gz OAJJYGXJFFXYGN-OAHLLOKOSA-N 2 2 383.514 0.788 20 0 GCADLP CS(=O)(=O)c1cccc(OCC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436052658 1194983902 /nfs/dbraw/zinc/98/39/02/1194983902.db2.gz OAJJYGXJFFXYGN-OAHLLOKOSA-N 2 2 383.514 0.788 20 0 GCADLP C[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)(N2CCOCC2)CC1 ZINC000515612263 1194987234 /nfs/dbraw/zinc/98/72/34/1194987234.db2.gz XDKRSJBKRDVKBP-UHFFFAOYSA-N 2 2 397.564 0.193 20 0 GCADLP C[NH+]1CCC(CNC(=O)NCC[N@H+]2CCOCC2(C)C)(N2CCOCC2)CC1 ZINC000515612263 1194987237 /nfs/dbraw/zinc/98/72/37/1194987237.db2.gz XDKRSJBKRDVKBP-UHFFFAOYSA-N 2 2 397.564 0.193 20 0 GCADLP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000516067811 1195017990 /nfs/dbraw/zinc/01/79/90/1195017990.db2.gz IWCZHRUHGRRNIE-UONOGXRCSA-N 2 2 391.497 0.598 20 0 GCADLP COC(=O)c1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000437408345 1195107388 /nfs/dbraw/zinc/10/73/88/1195107388.db2.gz DTFOMIBDSGQFGK-UHFFFAOYSA-N 2 2 390.484 0.896 20 0 GCADLP COC(=O)c1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000437408345 1195107392 /nfs/dbraw/zinc/10/73/92/1195107392.db2.gz DTFOMIBDSGQFGK-UHFFFAOYSA-N 2 2 390.484 0.896 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000517045085 1195129591 /nfs/dbraw/zinc/12/95/91/1195129591.db2.gz NXOHUULZCOHGBC-OALUTQOASA-N 2 2 395.592 0.755 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000517045085 1195129593 /nfs/dbraw/zinc/12/95/93/1195129593.db2.gz NXOHUULZCOHGBC-OALUTQOASA-N 2 2 395.592 0.755 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000517045086 1195129656 /nfs/dbraw/zinc/12/96/56/1195129656.db2.gz NXOHUULZCOHGBC-RBUKOAKNSA-N 2 2 395.592 0.755 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000517045086 1195129657 /nfs/dbraw/zinc/12/96/57/1195129657.db2.gz NXOHUULZCOHGBC-RBUKOAKNSA-N 2 2 395.592 0.755 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000517045081 1195129679 /nfs/dbraw/zinc/12/96/79/1195129679.db2.gz NXOHUULZCOHGBC-MOPGFXCFSA-N 2 2 395.592 0.755 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000517045081 1195129685 /nfs/dbraw/zinc/12/96/85/1195129685.db2.gz NXOHUULZCOHGBC-MOPGFXCFSA-N 2 2 395.592 0.755 20 0 GCADLP C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000517136423 1195140914 /nfs/dbraw/zinc/14/09/14/1195140914.db2.gz JZKNHJBHLSQVHO-DLBZAZTESA-N 2 2 381.521 0.045 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000517250231 1195164678 /nfs/dbraw/zinc/16/46/78/1195164678.db2.gz OOJGHFWVQFIYJY-GOSISDBHSA-N 2 2 382.549 0.650 20 0 GCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438328941 1195205925 /nfs/dbraw/zinc/20/59/25/1195205925.db2.gz OMBJLUBSPMEFFZ-IAGOWNOFSA-N 2 2 378.521 1.457 20 0 GCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438328941 1195205927 /nfs/dbraw/zinc/20/59/27/1195205927.db2.gz OMBJLUBSPMEFFZ-IAGOWNOFSA-N 2 2 378.521 1.457 20 0 GCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438331946 1195206616 /nfs/dbraw/zinc/20/66/16/1195206616.db2.gz PHIZGXCKUWPUSA-KRWDZBQOSA-N 2 2 378.521 1.553 20 0 GCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438331946 1195206619 /nfs/dbraw/zinc/20/66/19/1195206619.db2.gz PHIZGXCKUWPUSA-KRWDZBQOSA-N 2 2 378.521 1.553 20 0 GCADLP C[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000438339554 1195208096 /nfs/dbraw/zinc/20/80/96/1195208096.db2.gz SWBPACYOEYSCST-DLBZAZTESA-N 2 2 378.521 1.457 20 0 GCADLP C[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCC[C@H](C)C1 ZINC000438339554 1195208099 /nfs/dbraw/zinc/20/80/99/1195208099.db2.gz SWBPACYOEYSCST-DLBZAZTESA-N 2 2 378.521 1.457 20 0 GCADLP COC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000518001660 1195237897 /nfs/dbraw/zinc/23/78/97/1195237897.db2.gz HUEGCKWDHVWWGI-UHFFFAOYSA-N 2 2 391.472 0.197 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000518235627 1195271390 /nfs/dbraw/zinc/27/13/90/1195271390.db2.gz BDFIZZMXWWBIPA-MOPGFXCFSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000439358667 1195313205 /nfs/dbraw/zinc/31/32/05/1195313205.db2.gz ZUCWGIJZLYSXDE-CQSZACIVSA-N 2 2 375.473 0.678 20 0 GCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000439358667 1195313209 /nfs/dbraw/zinc/31/32/09/1195313209.db2.gz ZUCWGIJZLYSXDE-CQSZACIVSA-N 2 2 375.473 0.678 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000518770271 1195330229 /nfs/dbraw/zinc/33/02/29/1195330229.db2.gz OYMCNKFDCKSIMJ-UHFFFAOYSA-N 2 2 383.452 0.940 20 0 GCADLP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000894392590 1195369511 /nfs/dbraw/zinc/36/95/11/1195369511.db2.gz AJJXXYMLGNLQOG-MRXNPFEDSA-N 2 2 382.505 0.376 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000298889860 1195384824 /nfs/dbraw/zinc/38/48/24/1195384824.db2.gz ACHBXTVQIYIADE-MRXNPFEDSA-N 2 2 394.491 0.241 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000119591611 1195427953 /nfs/dbraw/zinc/42/79/53/1195427953.db2.gz OBNGDOHLOSCOCX-DAABDDCCSA-N 2 2 391.560 0.308 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000119591611 1195427955 /nfs/dbraw/zinc/42/79/55/1195427955.db2.gz OBNGDOHLOSCOCX-DAABDDCCSA-N 2 2 391.560 0.308 20 0 GCADLP CCOC(=O)Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(-c2cnn(C)c2)n1 ZINC000894468988 1195430200 /nfs/dbraw/zinc/43/02/00/1195430200.db2.gz GZTULESJISZJDJ-SFHVURJKSA-N 2 2 376.461 0.003 20 0 GCADLP CCOC(=O)Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(-c2cnn(C)c2)n1 ZINC000894468988 1195430201 /nfs/dbraw/zinc/43/02/01/1195430201.db2.gz GZTULESJISZJDJ-SFHVURJKSA-N 2 2 376.461 0.003 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000550096137 1195435654 /nfs/dbraw/zinc/43/56/54/1195435654.db2.gz VCDWZOFZLYGICB-DLBZAZTESA-N 2 2 377.489 0.347 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000550096137 1195435656 /nfs/dbraw/zinc/43/56/56/1195435656.db2.gz VCDWZOFZLYGICB-DLBZAZTESA-N 2 2 377.489 0.347 20 0 GCADLP CC[N@H+](CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)C ZINC000550108844 1195436896 /nfs/dbraw/zinc/43/68/96/1195436896.db2.gz MJAWCTDIBFSFCW-UHFFFAOYSA-N 2 2 390.528 0.982 20 0 GCADLP CC[N@@H+](CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)C ZINC000550108844 1195436900 /nfs/dbraw/zinc/43/69/00/1195436900.db2.gz MJAWCTDIBFSFCW-UHFFFAOYSA-N 2 2 390.528 0.982 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@H]2COCC2(C)C)CC3)CC1 ZINC000894559179 1195443204 /nfs/dbraw/zinc/44/32/04/1195443204.db2.gz MPKASPBVJOFQAU-QAPCUYQASA-N 2 2 375.517 0.848 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000519556668 1195445410 /nfs/dbraw/zinc/44/54/10/1195445410.db2.gz PCJKMOFIVAKSTN-FUHWJXTLSA-N 2 2 383.496 0.999 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000550136136 1195446514 /nfs/dbraw/zinc/44/65/14/1195446514.db2.gz ZNLCYBPHGMCGDX-OAHLLOKOSA-N 2 2 382.505 0.073 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000550136136 1195446516 /nfs/dbraw/zinc/44/65/16/1195446516.db2.gz ZNLCYBPHGMCGDX-OAHLLOKOSA-N 2 2 382.505 0.073 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@@H](C)O1 ZINC000550208559 1195461012 /nfs/dbraw/zinc/46/10/12/1195461012.db2.gz FNHHTCOIUXDUQK-BRWVUGGUSA-N 2 2 380.533 0.687 20 0 GCADLP COCCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550267141 1195473089 /nfs/dbraw/zinc/47/30/89/1195473089.db2.gz NRNHUSADZDKPSZ-ROUUACIJSA-N 2 2 382.549 0.935 20 0 GCADLP COCCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550267141 1195473091 /nfs/dbraw/zinc/47/30/91/1195473091.db2.gz NRNHUSADZDKPSZ-ROUUACIJSA-N 2 2 382.549 0.935 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000550277180 1195475639 /nfs/dbraw/zinc/47/56/39/1195475639.db2.gz SAFXYDGHSPQORE-KRWDZBQOSA-N 2 2 382.549 0.839 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000550277615 1195477126 /nfs/dbraw/zinc/47/71/26/1195477126.db2.gz XOLJRDSQIFUGHN-UHFFFAOYSA-N 2 2 377.489 0.493 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCOCC1 ZINC000550278864 1195480473 /nfs/dbraw/zinc/48/04/73/1195480473.db2.gz PQXBGBNOJHQGME-MOPGFXCFSA-N 2 2 394.560 0.650 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCOCC1 ZINC000550278864 1195480475 /nfs/dbraw/zinc/48/04/75/1195480475.db2.gz PQXBGBNOJHQGME-MOPGFXCFSA-N 2 2 394.560 0.650 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000519588443 1195489946 /nfs/dbraw/zinc/48/99/46/1195489946.db2.gz HVANAGQDODLGJX-MOPGFXCFSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)CC[N@@H+]1CCO ZINC000427393575 1195532052 /nfs/dbraw/zinc/53/20/52/1195532052.db2.gz AOORVNVQZYFEIV-MRXNPFEDSA-N 2 2 388.512 0.787 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)CC[N@H+]1CCO ZINC000427393575 1195532054 /nfs/dbraw/zinc/53/20/54/1195532054.db2.gz AOORVNVQZYFEIV-MRXNPFEDSA-N 2 2 388.512 0.787 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC[NH+]1CCO ZINC000427393575 1195532057 /nfs/dbraw/zinc/53/20/57/1195532057.db2.gz AOORVNVQZYFEIV-MRXNPFEDSA-N 2 2 388.512 0.787 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC[NH+]1CCO ZINC000427393575 1195532060 /nfs/dbraw/zinc/53/20/60/1195532060.db2.gz AOORVNVQZYFEIV-MRXNPFEDSA-N 2 2 388.512 0.787 20 0 GCADLP Cc1nc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000507549004 1195532223 /nfs/dbraw/zinc/53/22/23/1195532223.db2.gz FNDDPBFJFKMKRR-UHFFFAOYSA-N 2 2 381.546 0.861 20 0 GCADLP Cc1nc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000507549004 1195532227 /nfs/dbraw/zinc/53/22/27/1195532227.db2.gz FNDDPBFJFKMKRR-UHFFFAOYSA-N 2 2 381.546 0.861 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)CC[N@@H+]1CCO ZINC000427393574 1195532308 /nfs/dbraw/zinc/53/23/08/1195532308.db2.gz AOORVNVQZYFEIV-INIZCTEOSA-N 2 2 388.512 0.787 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)CC[N@H+]1CCO ZINC000427393574 1195532310 /nfs/dbraw/zinc/53/23/10/1195532310.db2.gz AOORVNVQZYFEIV-INIZCTEOSA-N 2 2 388.512 0.787 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC[NH+]1CCO ZINC000427393574 1195532312 /nfs/dbraw/zinc/53/23/12/1195532312.db2.gz AOORVNVQZYFEIV-INIZCTEOSA-N 2 2 388.512 0.787 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC[NH+]1CCO ZINC000427393574 1195532314 /nfs/dbraw/zinc/53/23/14/1195532314.db2.gz AOORVNVQZYFEIV-INIZCTEOSA-N 2 2 388.512 0.787 20 0 GCADLP CC(C)C[C@H](CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000473870095 1195553496 /nfs/dbraw/zinc/55/34/96/1195553496.db2.gz AYBNPHJILFDRPT-GOSISDBHSA-N 2 2 397.564 0.539 20 0 GCADLP C[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)(N2CCOCC2)CC1 ZINC000333982554 1195557394 /nfs/dbraw/zinc/55/73/94/1195557394.db2.gz CYNWDRSLERJGNF-IBGZPJMESA-N 2 2 394.560 0.543 20 0 GCADLP C[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)(N2CCOCC2)CC1 ZINC000333982554 1195557396 /nfs/dbraw/zinc/55/73/96/1195557396.db2.gz CYNWDRSLERJGNF-IBGZPJMESA-N 2 2 394.560 0.543 20 0 GCADLP CN1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000519632545 1195560114 /nfs/dbraw/zinc/56/01/14/1195560114.db2.gz PJJSYSIMGZLDSQ-SFHVURJKSA-N 2 2 388.516 0.374 20 0 GCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)cn1 ZINC000519821036 1195575960 /nfs/dbraw/zinc/57/59/60/1195575960.db2.gz QUSJHJMCZNYPRM-OKZBNKHCSA-N 2 2 388.516 0.040 20 0 GCADLP Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)cn1 ZINC000519821036 1195575965 /nfs/dbraw/zinc/57/59/65/1195575965.db2.gz QUSJHJMCZNYPRM-OKZBNKHCSA-N 2 2 388.516 0.040 20 0 GCADLP [NH3+]CC[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(F)(F)F ZINC000415992747 1195585485 /nfs/dbraw/zinc/58/54/85/1195585485.db2.gz HPLCUYMHWGNZHP-GFCCVEGCSA-N 2 2 375.399 0.178 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000550343962 1195638934 /nfs/dbraw/zinc/63/89/34/1195638934.db2.gz ZVHFRHYCOVGQIU-IAGOWNOFSA-N 2 2 391.516 0.285 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000550343962 1195638935 /nfs/dbraw/zinc/63/89/35/1195638935.db2.gz ZVHFRHYCOVGQIU-IAGOWNOFSA-N 2 2 391.516 0.285 20 0 GCADLP C[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000427564942 1195641223 /nfs/dbraw/zinc/64/12/23/1195641223.db2.gz LQYCVCGEJAKSAZ-RDJZCZTQSA-N 2 2 399.499 1.395 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000550357459 1195642811 /nfs/dbraw/zinc/64/28/11/1195642811.db2.gz BWVZCHWDABIPBX-ACBHZAAOSA-N 2 2 394.560 0.983 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000550358795 1195643851 /nfs/dbraw/zinc/64/38/51/1195643851.db2.gz FJGKTBXVSPGFNT-MSOLQXFVSA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000550358795 1195643852 /nfs/dbraw/zinc/64/38/52/1195643852.db2.gz FJGKTBXVSPGFNT-MSOLQXFVSA-N 2 2 382.549 0.648 20 0 GCADLP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C(C)C ZINC000550381110 1195648719 /nfs/dbraw/zinc/64/87/19/1195648719.db2.gz AZYYEKPALJNCIU-IBGZPJMESA-N 2 2 390.528 0.850 20 0 GCADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C(C)C ZINC000550381110 1195648720 /nfs/dbraw/zinc/64/87/20/1195648720.db2.gz AZYYEKPALJNCIU-IBGZPJMESA-N 2 2 390.528 0.850 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C ZINC000550381110 1195648721 /nfs/dbraw/zinc/64/87/21/1195648721.db2.gz AZYYEKPALJNCIU-IBGZPJMESA-N 2 2 390.528 0.850 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)C ZINC000550381110 1195648723 /nfs/dbraw/zinc/64/87/23/1195648723.db2.gz AZYYEKPALJNCIU-IBGZPJMESA-N 2 2 390.528 0.850 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCN(C)CC1 ZINC000550382367 1195650577 /nfs/dbraw/zinc/65/05/77/1195650577.db2.gz SGMUIWRVAXHCLD-ZWKOTPCHSA-N 2 2 381.565 0.365 20 0 GCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000550383321 1195651482 /nfs/dbraw/zinc/65/14/82/1195651482.db2.gz GMINURIGIKHILR-CEXWTWQISA-N 2 2 393.576 0.460 20 0 GCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000550383321 1195651484 /nfs/dbraw/zinc/65/14/84/1195651484.db2.gz GMINURIGIKHILR-CEXWTWQISA-N 2 2 393.576 0.460 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000550383559 1195651736 /nfs/dbraw/zinc/65/17/36/1195651736.db2.gz MIVOLAJOZNYYEU-RBUKOAKNSA-N 2 2 393.576 0.461 20 0 GCADLP CN(C(=O)[C@@H](O)C1CCCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328602410 1195659769 /nfs/dbraw/zinc/65/97/69/1195659769.db2.gz GWBFIZKITAJREZ-FQEVSTJZSA-N 2 2 394.560 0.624 20 0 GCADLP CCN(C1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1)S(C)(=O)=O ZINC000330750927 1195705570 /nfs/dbraw/zinc/70/55/70/1195705570.db2.gz BMZNUXXYJDUJBS-UHFFFAOYSA-N 2 2 388.578 0.721 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)CC1 ZINC000427570393 1195731826 /nfs/dbraw/zinc/73/18/26/1195731826.db2.gz FUJDZFGFKNTQID-AWEZNQCLSA-N 2 2 385.472 1.218 20 0 GCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181782946 1195780673 /nfs/dbraw/zinc/78/06/73/1195780673.db2.gz DLKSGDJZONJDJT-PMACEKPBSA-N 2 2 388.512 0.869 20 0 GCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181782946 1195780680 /nfs/dbraw/zinc/78/06/80/1195780680.db2.gz DLKSGDJZONJDJT-PMACEKPBSA-N 2 2 388.512 0.869 20 0 GCADLP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nnn1-c1ccn(C)n1 ZINC000645399335 1195786419 /nfs/dbraw/zinc/78/64/19/1195786419.db2.gz XJSAVQDMRFAHGA-INIZCTEOSA-N 2 2 386.504 0.550 20 0 GCADLP Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nnn1-c1ccn(C)n1 ZINC000645399335 1195786423 /nfs/dbraw/zinc/78/64/23/1195786423.db2.gz XJSAVQDMRFAHGA-INIZCTEOSA-N 2 2 386.504 0.550 20 0 GCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000983927400 1195791843 /nfs/dbraw/zinc/79/18/43/1195791843.db2.gz WFLALEHUXYVUSC-XYVMCAHJSA-N 2 2 391.516 0.425 20 0 GCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000983927400 1195791846 /nfs/dbraw/zinc/79/18/46/1195791846.db2.gz WFLALEHUXYVUSC-XYVMCAHJSA-N 2 2 391.516 0.425 20 0 GCADLP O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000428039613 1195905199 /nfs/dbraw/zinc/90/51/99/1195905199.db2.gz SIGBUGDZBGNIKY-UXHICEINSA-N 2 2 384.524 0.950 20 0 GCADLP C[C@@H](c1cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000441853544 1195926308 /nfs/dbraw/zinc/92/63/08/1195926308.db2.gz WOBYXTPJVIKJKS-INIZCTEOSA-N 2 2 392.500 0.713 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000441980276 1195935973 /nfs/dbraw/zinc/93/59/73/1195935973.db2.gz RYTGSJALQUUQCL-KRWDZBQOSA-N 2 2 399.495 0.366 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000441980276 1195935976 /nfs/dbraw/zinc/93/59/76/1195935976.db2.gz RYTGSJALQUUQCL-KRWDZBQOSA-N 2 2 399.495 0.366 20 0 GCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000521076055 1195961322 /nfs/dbraw/zinc/96/13/22/1195961322.db2.gz FVHXDAJXOAGVAA-RTBURBONSA-N 2 2 394.560 0.983 20 0 GCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000442799879 1196004641 /nfs/dbraw/zinc/00/46/41/1196004641.db2.gz LHFHCGHPJZUFDZ-HOCLYGCPSA-N 2 2 383.518 0.023 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1C(=O)c2ccccc2C1=O ZINC000665295135 1196005190 /nfs/dbraw/zinc/00/51/90/1196005190.db2.gz QLMGKVNMFJJYEH-CABCVRRESA-N 2 2 384.480 0.956 20 0 GCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1C(=O)c2ccccc2C1=O ZINC000665295135 1196005193 /nfs/dbraw/zinc/00/51/93/1196005193.db2.gz QLMGKVNMFJJYEH-CABCVRRESA-N 2 2 384.480 0.956 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCCOC(F)F)CC2)CC1 ZINC000521988970 1196032150 /nfs/dbraw/zinc/03/21/50/1196032150.db2.gz WTQNUDHIROPWKL-UHFFFAOYSA-N 2 2 376.448 0.407 20 0 GCADLP COCC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000550478815 1196052727 /nfs/dbraw/zinc/05/27/27/1196052727.db2.gz KZXGIUGPUOEPAW-MRXNPFEDSA-N 2 2 376.501 0.544 20 0 GCADLP COCC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000550478815 1196052731 /nfs/dbraw/zinc/05/27/31/1196052731.db2.gz KZXGIUGPUOEPAW-MRXNPFEDSA-N 2 2 376.501 0.544 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087730232 1196068935 /nfs/dbraw/zinc/06/89/35/1196068935.db2.gz VEXZCFDPMPNTJZ-LVQVYYBASA-N 2 2 387.484 0.642 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087730232 1196068937 /nfs/dbraw/zinc/06/89/37/1196068937.db2.gz VEXZCFDPMPNTJZ-LVQVYYBASA-N 2 2 387.484 0.642 20 0 GCADLP CCOc1ncccc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000550535727 1196080742 /nfs/dbraw/zinc/08/07/42/1196080742.db2.gz AUUQEMJGFPAAPP-UHFFFAOYSA-N 2 2 391.516 0.581 20 0 GCADLP CCOc1ncccc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550535727 1196080744 /nfs/dbraw/zinc/08/07/44/1196080744.db2.gz AUUQEMJGFPAAPP-UHFFFAOYSA-N 2 2 391.516 0.581 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550580756 1196093101 /nfs/dbraw/zinc/09/31/01/1196093101.db2.gz BLHTYTVIJHEIOR-CALCHBBNSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550580756 1196093103 /nfs/dbraw/zinc/09/31/03/1196093103.db2.gz BLHTYTVIJHEIOR-CALCHBBNSA-N 2 2 382.549 0.791 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000550582044 1196093557 /nfs/dbraw/zinc/09/35/57/1196093557.db2.gz LMUOKQVKNAAEIR-LVQVYYBASA-N 2 2 380.533 0.732 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000550582044 1196093559 /nfs/dbraw/zinc/09/35/59/1196093559.db2.gz LMUOKQVKNAAEIR-LVQVYYBASA-N 2 2 380.533 0.732 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000550582044 1196093561 /nfs/dbraw/zinc/09/35/61/1196093561.db2.gz LMUOKQVKNAAEIR-LVQVYYBASA-N 2 2 380.533 0.732 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000550582044 1196093562 /nfs/dbraw/zinc/09/35/62/1196093562.db2.gz LMUOKQVKNAAEIR-LVQVYYBASA-N 2 2 380.533 0.732 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895561138 1196101721 /nfs/dbraw/zinc/10/17/21/1196101721.db2.gz NYBYIPXOOJBWHK-UHFFFAOYSA-N 2 2 385.472 0.123 20 0 GCADLP NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000895686510 1196107938 /nfs/dbraw/zinc/10/79/38/1196107938.db2.gz SUCDJHOZCKNHFB-QGZVFWFLSA-N 2 2 382.530 0.220 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895706914 1196108778 /nfs/dbraw/zinc/10/87/78/1196108778.db2.gz PFRMRMVOXYRDTA-LJQANCHMSA-N 2 2 376.476 0.785 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)C2)CC1 ZINC000896324864 1196142794 /nfs/dbraw/zinc/14/27/94/1196142794.db2.gz KPYTYNKUBCQORK-CGTJXYLNSA-N 2 2 381.517 0.972 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)C2)CC1 ZINC000896324864 1196142796 /nfs/dbraw/zinc/14/27/96/1196142796.db2.gz KPYTYNKUBCQORK-CGTJXYLNSA-N 2 2 381.517 0.972 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)C2)CC1 ZINC000896324867 1196142921 /nfs/dbraw/zinc/14/29/21/1196142921.db2.gz KPYTYNKUBCQORK-RYQLBKOJSA-N 2 2 381.517 0.972 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)C2)CC1 ZINC000896324867 1196142924 /nfs/dbraw/zinc/14/29/24/1196142924.db2.gz KPYTYNKUBCQORK-RYQLBKOJSA-N 2 2 381.517 0.972 20 0 GCADLP CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971081 1196143714 /nfs/dbraw/zinc/14/37/14/1196143714.db2.gz CEQLHISUFZVZRK-WCXIOVBPSA-N 2 2 375.521 0.704 20 0 GCADLP CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971081 1196143717 /nfs/dbraw/zinc/14/37/17/1196143717.db2.gz CEQLHISUFZVZRK-WCXIOVBPSA-N 2 2 375.521 0.704 20 0 GCADLP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971081 1196143718 /nfs/dbraw/zinc/14/37/18/1196143718.db2.gz CEQLHISUFZVZRK-WCXIOVBPSA-N 2 2 375.521 0.704 20 0 GCADLP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971081 1196143720 /nfs/dbraw/zinc/14/37/20/1196143720.db2.gz CEQLHISUFZVZRK-WCXIOVBPSA-N 2 2 375.521 0.704 20 0 GCADLP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896533264 1196153776 /nfs/dbraw/zinc/15/37/76/1196153776.db2.gz HASWWWDCXSWLFA-HRCADAONSA-N 2 2 385.553 0.582 20 0 GCADLP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC000896533264 1196153778 /nfs/dbraw/zinc/15/37/78/1196153778.db2.gz HASWWWDCXSWLFA-HRCADAONSA-N 2 2 385.553 0.582 20 0 GCADLP C[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329279416 1196182441 /nfs/dbraw/zinc/18/24/41/1196182441.db2.gz MMRFJJIMIQCZTL-IAGOWNOFSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329279418 1196182511 /nfs/dbraw/zinc/18/25/11/1196182511.db2.gz MMRFJJIMIQCZTL-SJORKVTESA-N 2 2 380.533 0.498 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1=O ZINC000329352231 1196188198 /nfs/dbraw/zinc/18/81/98/1196188198.db2.gz DTMFFAUCDIOVTR-MKXGPGLRSA-N 2 2 392.544 0.641 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1=O ZINC000329352231 1196188201 /nfs/dbraw/zinc/18/82/01/1196188201.db2.gz DTMFFAUCDIOVTR-MKXGPGLRSA-N 2 2 392.544 0.641 20 0 GCADLP CCC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000329436802 1196195440 /nfs/dbraw/zinc/19/54/40/1196195440.db2.gz MAJUPLXULRIGDV-UHFFFAOYSA-N 2 2 394.560 0.890 20 0 GCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329474406 1196199475 /nfs/dbraw/zinc/19/94/75/1196199475.db2.gz NNVDVLAHHPCTIM-KURKYZTESA-N 2 2 378.517 0.252 20 0 GCADLP CC[C@@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329487014 1196200352 /nfs/dbraw/zinc/20/03/52/1196200352.db2.gz GMAPRCKGABVZEY-PKOBYXMFSA-N 2 2 394.560 0.888 20 0 GCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012121 1196216898 /nfs/dbraw/zinc/21/68/98/1196216898.db2.gz UACSLADUFDIFJO-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012121 1196216900 /nfs/dbraw/zinc/21/69/00/1196216900.db2.gz UACSLADUFDIFJO-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012121 1196216901 /nfs/dbraw/zinc/21/69/01/1196216901.db2.gz UACSLADUFDIFJO-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012121 1196216903 /nfs/dbraw/zinc/21/69/03/1196216903.db2.gz UACSLADUFDIFJO-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329775732 1196230751 /nfs/dbraw/zinc/23/07/51/1196230751.db2.gz NITQEHBNVJUEOF-KURKYZTESA-N 2 2 378.517 0.252 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329775732 1196230754 /nfs/dbraw/zinc/23/07/54/1196230754.db2.gz NITQEHBNVJUEOF-KURKYZTESA-N 2 2 378.517 0.252 20 0 GCADLP CCc1cncc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000329885651 1196236504 /nfs/dbraw/zinc/23/65/04/1196236504.db2.gz UYENBTPOHCKEPL-UHFFFAOYSA-N 2 2 387.528 0.954 20 0 GCADLP CN(C(=O)[C@@H]1CCNC(=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329924002 1196239345 /nfs/dbraw/zinc/23/93/45/1196239345.db2.gz HJMBWNWOVNCNKE-OAHLLOKOSA-N 2 2 379.505 0.050 20 0 GCADLP CN(C(=O)Cc1cncs1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329937736 1196241062 /nfs/dbraw/zinc/24/10/62/1196241062.db2.gz SDHGWSAQGMVCLW-UHFFFAOYSA-N 2 2 379.530 0.382 20 0 GCADLP CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000896886459 1196256127 /nfs/dbraw/zinc/25/61/27/1196256127.db2.gz ZRCLIRZTDSLGBH-UHFFFAOYSA-N 2 2 390.528 0.586 20 0 GCADLP CC[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330255460 1196261989 /nfs/dbraw/zinc/26/19/89/1196261989.db2.gz PRPRAIRHAXZHFT-OALUTQOASA-N 2 2 394.560 0.888 20 0 GCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330336276 1196290647 /nfs/dbraw/zinc/29/06/47/1196290647.db2.gz ZKIPVDXWUBMKIQ-OAHLLOKOSA-N 2 2 378.502 0.981 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000444170968 1196355843 /nfs/dbraw/zinc/35/58/43/1196355843.db2.gz UNUNUNVHONOEBD-ZWKOTPCHSA-N 2 2 384.484 0.833 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000444170968 1196355847 /nfs/dbraw/zinc/35/58/47/1196355847.db2.gz UNUNUNVHONOEBD-ZWKOTPCHSA-N 2 2 384.484 0.833 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088111716 1196364173 /nfs/dbraw/zinc/36/41/73/1196364173.db2.gz PYPUYVSNBWNUDS-XMTFNYHQSA-N 2 2 385.512 0.926 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088111716 1196364177 /nfs/dbraw/zinc/36/41/77/1196364177.db2.gz PYPUYVSNBWNUDS-XMTFNYHQSA-N 2 2 385.512 0.926 20 0 GCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1(C)C ZINC000444274107 1196370318 /nfs/dbraw/zinc/37/03/18/1196370318.db2.gz XRSHWWUBMNVRBB-KXBFYZLASA-N 2 2 376.505 0.247 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000985144113 1196372915 /nfs/dbraw/zinc/37/29/15/1196372915.db2.gz MAURKAFARXFEBK-YYIAUSFCSA-N 2 2 377.489 0.406 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000985144113 1196372918 /nfs/dbraw/zinc/37/29/18/1196372918.db2.gz MAURKAFARXFEBK-YYIAUSFCSA-N 2 2 377.489 0.406 20 0 GCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475157902 1196385540 /nfs/dbraw/zinc/38/55/40/1196385540.db2.gz SHUDCCKAXBHACG-DLBZAZTESA-N 2 2 382.530 0.419 20 0 GCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475157902 1196385546 /nfs/dbraw/zinc/38/55/46/1196385546.db2.gz SHUDCCKAXBHACG-DLBZAZTESA-N 2 2 382.530 0.419 20 0 GCADLP CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000182675273 1196411825 /nfs/dbraw/zinc/41/18/25/1196411825.db2.gz AXHCFPFMWWGUKW-IAGOWNOFSA-N 2 2 378.521 0.377 20 0 GCADLP CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182675273 1196411826 /nfs/dbraw/zinc/41/18/26/1196411826.db2.gz AXHCFPFMWWGUKW-IAGOWNOFSA-N 2 2 378.521 0.377 20 0 GCADLP COCCNc1nc(NC2CC[NH+](C)CC2)nc(NC2CC[NH+](C)CC2)[nH+]1 ZINC000301771401 1196434272 /nfs/dbraw/zinc/43/42/72/1196434272.db2.gz JJZLDCMUZPZUET-UHFFFAOYSA-N 3 2 378.525 0.942 20 0 GCADLP COCCNc1nc(NC2CC[NH+](C)CC2)[nH+]c(NC2CC[NH+](C)CC2)n1 ZINC000301771401 1196434275 /nfs/dbraw/zinc/43/42/75/1196434275.db2.gz JJZLDCMUZPZUET-UHFFFAOYSA-N 3 2 378.525 0.942 20 0 GCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000301983339 1196437486 /nfs/dbraw/zinc/43/74/86/1196437486.db2.gz YKEIJYQABIDTKY-DOTOQJQBSA-N 2 2 388.516 0.604 20 0 GCADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000301983339 1196437489 /nfs/dbraw/zinc/43/74/89/1196437489.db2.gz YKEIJYQABIDTKY-DOTOQJQBSA-N 2 2 388.516 0.604 20 0 GCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000301983342 1196437749 /nfs/dbraw/zinc/43/77/49/1196437749.db2.gz YKEIJYQABIDTKY-RDJZCZTQSA-N 2 2 388.516 0.604 20 0 GCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000301983342 1196437750 /nfs/dbraw/zinc/43/77/50/1196437750.db2.gz YKEIJYQABIDTKY-RDJZCZTQSA-N 2 2 388.516 0.604 20 0 GCADLP O=S1(=O)NC[C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN21 ZINC000897282093 1196438479 /nfs/dbraw/zinc/43/84/79/1196438479.db2.gz AYCOCNFXHVOJTA-KRWDZBQOSA-N 2 2 380.514 0.495 20 0 GCADLP O=S1(=O)NC[C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN21 ZINC000897282093 1196438482 /nfs/dbraw/zinc/43/84/82/1196438482.db2.gz AYCOCNFXHVOJTA-KRWDZBQOSA-N 2 2 380.514 0.495 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000523655190 1196542511 /nfs/dbraw/zinc/54/25/11/1196542511.db2.gz NMHCJAKESRCQNO-CALCHBBNSA-N 2 2 378.517 0.646 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000523655190 1196542515 /nfs/dbraw/zinc/54/25/15/1196542515.db2.gz NMHCJAKESRCQNO-CALCHBBNSA-N 2 2 378.517 0.646 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000445167356 1196556354 /nfs/dbraw/zinc/55/63/54/1196556354.db2.gz RGVXQYUQWJGJOO-MRXNPFEDSA-N 2 2 388.512 0.787 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000445167356 1196556358 /nfs/dbraw/zinc/55/63/58/1196556358.db2.gz RGVXQYUQWJGJOO-MRXNPFEDSA-N 2 2 388.512 0.787 20 0 GCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000897340504 1196576558 /nfs/dbraw/zinc/57/65/58/1196576558.db2.gz SCRISSFBOYWNCM-CVEARBPZSA-N 2 2 392.500 0.633 20 0 GCADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000897340504 1196576559 /nfs/dbraw/zinc/57/65/59/1196576559.db2.gz SCRISSFBOYWNCM-CVEARBPZSA-N 2 2 392.500 0.633 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925174405 1196596269 /nfs/dbraw/zinc/59/62/69/1196596269.db2.gz CUMUVNUMKQOFIS-JTDSTZFVSA-N 2 2 398.573 0.481 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925174405 1196596271 /nfs/dbraw/zinc/59/62/71/1196596271.db2.gz CUMUVNUMKQOFIS-JTDSTZFVSA-N 2 2 398.573 0.481 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925174405 1196596274 /nfs/dbraw/zinc/59/62/74/1196596274.db2.gz CUMUVNUMKQOFIS-JTDSTZFVSA-N 2 2 398.573 0.481 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925174405 1196596278 /nfs/dbraw/zinc/59/62/78/1196596278.db2.gz CUMUVNUMKQOFIS-JTDSTZFVSA-N 2 2 398.573 0.481 20 0 GCADLP C[C@H]1C[N@H+](C)C[C@@H](c2nnc(N3CCC(C)([NH+]4CCOCC4)CC3)n2C)O1 ZINC000624792147 1196781900 /nfs/dbraw/zinc/78/19/00/1196781900.db2.gz OOUYBNDJCPYRCL-HOTGVXAUSA-N 2 2 378.521 0.898 20 0 GCADLP C[C@H]1C[N@@H+](C)C[C@@H](c2nnc(N3CCC(C)([NH+]4CCOCC4)CC3)n2C)O1 ZINC000624792147 1196781902 /nfs/dbraw/zinc/78/19/02/1196781902.db2.gz OOUYBNDJCPYRCL-HOTGVXAUSA-N 2 2 378.521 0.898 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000529321369 1196914694 /nfs/dbraw/zinc/91/46/94/1196914694.db2.gz NUOOUHSSXUNKKQ-ULQDDVLXSA-N 2 2 382.892 0.999 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000529321369 1196914696 /nfs/dbraw/zinc/91/46/96/1196914696.db2.gz NUOOUHSSXUNKKQ-ULQDDVLXSA-N 2 2 382.892 0.999 20 0 GCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H](C)[N@H+]1CCO ZINC000451658131 1197007487 /nfs/dbraw/zinc/00/74/87/1197007487.db2.gz BOCDXXQLYNJRLZ-CALCHBBNSA-N 2 2 380.558 0.779 20 0 GCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000451658131 1197007491 /nfs/dbraw/zinc/00/74/91/1197007491.db2.gz BOCDXXQLYNJRLZ-CALCHBBNSA-N 2 2 380.558 0.779 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000530719779 1197011512 /nfs/dbraw/zinc/01/15/12/1197011512.db2.gz LOYZFVUGNOXHPZ-RBUKOAKNSA-N 2 2 376.501 0.445 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000530719779 1197011515 /nfs/dbraw/zinc/01/15/15/1197011515.db2.gz LOYZFVUGNOXHPZ-RBUKOAKNSA-N 2 2 376.501 0.445 20 0 GCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530835462 1197020260 /nfs/dbraw/zinc/02/02/60/1197020260.db2.gz VKPDRMDWDVAHIJ-LAUBAEHRSA-N 2 2 389.496 0.719 20 0 GCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530835462 1197020263 /nfs/dbraw/zinc/02/02/63/1197020263.db2.gz VKPDRMDWDVAHIJ-LAUBAEHRSA-N 2 2 389.496 0.719 20 0 GCADLP COC[C@]1(CO)CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000451930345 1197024673 /nfs/dbraw/zinc/02/46/73/1197024673.db2.gz QRLGDTVXZBGYFJ-LJQANCHMSA-N 2 2 383.533 0.469 20 0 GCADLP COC[C@]1(CO)CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000451930345 1197024678 /nfs/dbraw/zinc/02/46/78/1197024678.db2.gz QRLGDTVXZBGYFJ-LJQANCHMSA-N 2 2 383.533 0.469 20 0 GCADLP CCCn1c(N)c(C(=O)C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)c(=O)[nH]c1=O ZINC000451979346 1197028474 /nfs/dbraw/zinc/02/84/74/1197028474.db2.gz GPKMXMOBQBNKDY-UHFFFAOYSA-N 2 2 394.520 0.130 20 0 GCADLP CN(C)C(=O)N[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)C1 ZINC000452025437 1197033506 /nfs/dbraw/zinc/03/35/06/1197033506.db2.gz XASFXEVBCHUCPW-IAGOWNOFSA-N 2 2 382.553 0.848 20 0 GCADLP CN(C)C(=O)N[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)C1 ZINC000452025437 1197033509 /nfs/dbraw/zinc/03/35/09/1197033509.db2.gz XASFXEVBCHUCPW-IAGOWNOFSA-N 2 2 382.553 0.848 20 0 GCADLP Cc1cc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n(C2CC[NH+](C)CC2)n1 ZINC000531199627 1197052888 /nfs/dbraw/zinc/05/28/88/1197052888.db2.gz TUWGAAJOXBKWPM-KRWDZBQOSA-N 2 2 394.520 0.615 20 0 GCADLP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531938503 1197104777 /nfs/dbraw/zinc/10/47/77/1197104777.db2.gz YWDOKXJMMABSTP-WMZOPIPTSA-N 2 2 393.557 0.606 20 0 GCADLP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064039994 1197140793 /nfs/dbraw/zinc/14/07/93/1197140793.db2.gz XUACIRYHQVAGJK-IBGZPJMESA-N 2 2 394.560 0.746 20 0 GCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064039994 1197140795 /nfs/dbraw/zinc/14/07/95/1197140795.db2.gz XUACIRYHQVAGJK-IBGZPJMESA-N 2 2 394.560 0.746 20 0 GCADLP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000360093459 1197156245 /nfs/dbraw/zinc/15/62/45/1197156245.db2.gz RYVBFIMDMBPVLK-OALUTQOASA-N 2 2 394.560 0.795 20 0 GCADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000360093459 1197156247 /nfs/dbraw/zinc/15/62/47/1197156247.db2.gz RYVBFIMDMBPVLK-OALUTQOASA-N 2 2 394.560 0.795 20 0 GCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000475704484 1197177012 /nfs/dbraw/zinc/17/70/12/1197177012.db2.gz HEJFRHRGIWCZCM-SFHVURJKSA-N 2 2 394.520 0.430 20 0 GCADLP O=C1NC[C@@H]2C[NH+](Cc3ccc(C[N@@H+]4CCN5C(=O)NC[C@H]5C4)cc3)CCN12 ZINC000175883927 1197184790 /nfs/dbraw/zinc/18/47/90/1197184790.db2.gz PTJHOVAKPTXJEG-HDICACEKSA-N 2 2 384.484 0.105 20 0 GCADLP O=C1NC[C@@H]2C[NH+](Cc3ccc(C[N@H+]4CCN5C(=O)NC[C@H]5C4)cc3)CCN12 ZINC000175883927 1197184792 /nfs/dbraw/zinc/18/47/92/1197184792.db2.gz PTJHOVAKPTXJEG-HDICACEKSA-N 2 2 384.484 0.105 20 0 GCADLP O=C1NC[C@@H]2C[NH+](Cc3ccc(C[N@@H+]4CCN5C(=O)NC[C@@H]5C4)cc3)CCN12 ZINC000175883911 1197185054 /nfs/dbraw/zinc/18/50/54/1197185054.db2.gz PTJHOVAKPTXJEG-QZTJIDSGSA-N 2 2 384.484 0.105 20 0 GCADLP O=C1NC[C@@H]2C[NH+](Cc3ccc(C[N@H+]4CCN5C(=O)NC[C@@H]5C4)cc3)CCN12 ZINC000175883911 1197185057 /nfs/dbraw/zinc/18/50/57/1197185057.db2.gz PTJHOVAKPTXJEG-QZTJIDSGSA-N 2 2 384.484 0.105 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000176294278 1197186444 /nfs/dbraw/zinc/18/64/44/1197186444.db2.gz NPEGNDMBWJVHRT-LJQANCHMSA-N 2 2 385.472 0.124 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000176294278 1197186446 /nfs/dbraw/zinc/18/64/46/1197186446.db2.gz NPEGNDMBWJVHRT-LJQANCHMSA-N 2 2 385.472 0.124 20 0 GCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C[C@@H]21 ZINC000453923683 1197187083 /nfs/dbraw/zinc/18/70/83/1197187083.db2.gz IHZXDCUAFCVHNV-AEFFLSMTSA-N 2 2 399.495 0.175 20 0 GCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C[C@@H]21 ZINC000453923683 1197187085 /nfs/dbraw/zinc/18/70/85/1197187085.db2.gz IHZXDCUAFCVHNV-AEFFLSMTSA-N 2 2 399.495 0.175 20 0 GCADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022972 1197203276 /nfs/dbraw/zinc/20/32/76/1197203276.db2.gz VVWMNVIPFJGQHY-ZWKOTPCHSA-N 2 2 380.533 0.690 20 0 GCADLP O=C1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CN1CC[NH+]1CCOCC1 ZINC000183293250 1197209376 /nfs/dbraw/zinc/20/93/76/1197209376.db2.gz JSPWAGIQNSAYTA-OAHLLOKOSA-N 2 2 378.439 0.536 20 0 GCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000645692220 1197235886 /nfs/dbraw/zinc/23/58/86/1197235886.db2.gz NYBWVFNEWPHPEN-AEFFLSMTSA-N 2 2 379.530 0.745 20 0 GCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000729605857 1197261599 /nfs/dbraw/zinc/26/15/99/1197261599.db2.gz MNJCJMVCEWWBAR-GUDVDZBRSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000729605857 1197261601 /nfs/dbraw/zinc/26/16/01/1197261601.db2.gz MNJCJMVCEWWBAR-GUDVDZBRSA-N 2 2 381.565 0.907 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000028422225 1197268550 /nfs/dbraw/zinc/26/85/50/1197268550.db2.gz WHWCTTWBMHXSDM-UHFFFAOYSA-N 2 2 387.528 0.767 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171199937 1197315387 /nfs/dbraw/zinc/31/53/87/1197315387.db2.gz FYDURNDSMMBQST-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171199937 1197315390 /nfs/dbraw/zinc/31/53/90/1197315390.db2.gz FYDURNDSMMBQST-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000897467328 1197340338 /nfs/dbraw/zinc/34/03/38/1197340338.db2.gz AHGUCFVVGHPWRV-PKOBYXMFSA-N 2 2 387.528 0.524 20 0 GCADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000897467328 1197340341 /nfs/dbraw/zinc/34/03/41/1197340341.db2.gz AHGUCFVVGHPWRV-PKOBYXMFSA-N 2 2 387.528 0.524 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418838350 1197364668 /nfs/dbraw/zinc/36/46/68/1197364668.db2.gz VAFPBZWGCZQPOR-GHTZIAJQSA-N 2 2 386.496 0.216 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418838350 1197364672 /nfs/dbraw/zinc/36/46/72/1197364672.db2.gz VAFPBZWGCZQPOR-GHTZIAJQSA-N 2 2 386.496 0.216 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000129829528 1197369446 /nfs/dbraw/zinc/36/94/46/1197369446.db2.gz CMUXRPBQIJHKMK-IRXDYDNUSA-N 2 2 399.561 0.942 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000129829528 1197369450 /nfs/dbraw/zinc/36/94/50/1197369450.db2.gz CMUXRPBQIJHKMK-IRXDYDNUSA-N 2 2 399.561 0.942 20 0 GCADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000666692022 1197375427 /nfs/dbraw/zinc/37/54/27/1197375427.db2.gz SPHNSHUWLNSSDR-QGZVFWFLSA-N 2 2 388.468 0.430 20 0 GCADLP CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000050798503 1197381347 /nfs/dbraw/zinc/38/13/47/1197381347.db2.gz PDRQWVHLGJZUJE-UHFFFAOYSA-N 2 2 384.502 0.476 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1Cl ZINC000418872693 1197387721 /nfs/dbraw/zinc/38/77/21/1197387721.db2.gz GSKGXJHLZIHWBG-XJKSGUPXSA-N 2 2 382.892 0.554 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1Cl ZINC000418872692 1197387888 /nfs/dbraw/zinc/38/78/88/1197387888.db2.gz GSKGXJHLZIHWBG-CZUORRHYSA-N 2 2 382.892 0.554 20 0 GCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000139773455 1197394858 /nfs/dbraw/zinc/39/48/58/1197394858.db2.gz UZYVJSHKAJNIIA-RDJZCZTQSA-N 2 2 386.562 0.621 20 0 GCADLP C[N@H+]1CCC[C@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000139773455 1197394861 /nfs/dbraw/zinc/39/48/61/1197394861.db2.gz UZYVJSHKAJNIIA-RDJZCZTQSA-N 2 2 386.562 0.621 20 0 GCADLP O=C(CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000238032640 1197401863 /nfs/dbraw/zinc/40/18/63/1197401863.db2.gz VBYFCMUXOLDAFJ-IBGZPJMESA-N 2 2 393.491 0.951 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000532794469 1197412673 /nfs/dbraw/zinc/41/26/73/1197412673.db2.gz NMADWSMMZKYYGY-KRWDZBQOSA-N 2 2 388.516 0.902 20 0 GCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069294897 1197468533 /nfs/dbraw/zinc/46/85/33/1197468533.db2.gz OERCGKIOGHWCDW-FCGDIQPGSA-N 2 2 394.560 0.650 20 0 GCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069294897 1197468535 /nfs/dbraw/zinc/46/85/35/1197468535.db2.gz OERCGKIOGHWCDW-FCGDIQPGSA-N 2 2 394.560 0.650 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000069475377 1197468697 /nfs/dbraw/zinc/46/86/97/1197468697.db2.gz PATMTYZHQOUWAO-KRWDZBQOSA-N 2 2 386.562 0.765 20 0 GCADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000247911637 1197477591 /nfs/dbraw/zinc/47/75/91/1197477591.db2.gz AJABIKWWGVTVRG-CMKODMSKSA-N 2 2 376.501 0.814 20 0 GCADLP C[N@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000247911637 1197477592 /nfs/dbraw/zinc/47/75/92/1197477592.db2.gz AJABIKWWGVTVRG-CMKODMSKSA-N 2 2 376.501 0.814 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000248186651 1197478416 /nfs/dbraw/zinc/47/84/16/1197478416.db2.gz XLEQBROTBCDQEX-IEBWSBKVSA-N 2 2 379.476 0.942 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000248186651 1197478419 /nfs/dbraw/zinc/47/84/19/1197478419.db2.gz XLEQBROTBCDQEX-IEBWSBKVSA-N 2 2 379.476 0.942 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000988746304 1197499914 /nfs/dbraw/zinc/49/99/14/1197499914.db2.gz DBEKDWBLEPEEKU-DZUCGIPZSA-N 2 2 389.500 0.730 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000988746304 1197499915 /nfs/dbraw/zinc/49/99/15/1197499915.db2.gz DBEKDWBLEPEEKU-DZUCGIPZSA-N 2 2 389.500 0.730 20 0 GCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000261743858 1197513094 /nfs/dbraw/zinc/51/30/94/1197513094.db2.gz KYMQXCULVOPWEM-QGZVFWFLSA-N 2 2 388.541 0.772 20 0 GCADLP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000261896055 1197517856 /nfs/dbraw/zinc/51/78/56/1197517856.db2.gz RCBMDVQTMHWYRO-RDJZCZTQSA-N 2 2 399.495 0.552 20 0 GCADLP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000261896055 1197517859 /nfs/dbraw/zinc/51/78/59/1197517859.db2.gz RCBMDVQTMHWYRO-RDJZCZTQSA-N 2 2 399.495 0.552 20 0 GCADLP Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000261956524 1197520393 /nfs/dbraw/zinc/52/03/93/1197520393.db2.gz AFSSRAAQBAAUMG-UHFFFAOYSA-N 2 2 394.541 0.432 20 0 GCADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000262046634 1197523664 /nfs/dbraw/zinc/52/36/64/1197523664.db2.gz ZBZOSJVSWLTZFJ-MRXNPFEDSA-N 2 2 377.489 0.459 20 0 GCADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000262046634 1197523667 /nfs/dbraw/zinc/52/36/67/1197523667.db2.gz ZBZOSJVSWLTZFJ-MRXNPFEDSA-N 2 2 377.489 0.459 20 0 GCADLP C[NH+](C)CCn1nccc1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000455670117 1197563982 /nfs/dbraw/zinc/56/39/82/1197563982.db2.gz QCDKSALPDXFOTL-KRWDZBQOSA-N 2 2 382.534 0.774 20 0 GCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999561085 1198949320 /nfs/dbraw/zinc/94/93/20/1198949320.db2.gz PHDNSKZPBSBEMX-QZWWFDLISA-N 2 2 375.473 0.310 20 0 GCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999561085 1198949326 /nfs/dbraw/zinc/94/93/26/1198949326.db2.gz PHDNSKZPBSBEMX-QZWWFDLISA-N 2 2 375.473 0.310 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010165 1199002775 /nfs/dbraw/zinc/00/27/75/1199002775.db2.gz UITUJQSKQAFGSL-VQIMIIECSA-N 3 2 393.576 0.460 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010165 1199002782 /nfs/dbraw/zinc/00/27/82/1199002782.db2.gz UITUJQSKQAFGSL-VQIMIIECSA-N 3 2 393.576 0.460 20 0 GCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795399 1199014275 /nfs/dbraw/zinc/01/42/75/1199014275.db2.gz ZINLUABTMDZDIQ-WCIQWLHISA-N 2 2 383.496 0.427 20 0 GCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795399 1199014281 /nfs/dbraw/zinc/01/42/81/1199014281.db2.gz ZINLUABTMDZDIQ-WCIQWLHISA-N 2 2 383.496 0.427 20 0 GCADLP CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672029514 1199016047 /nfs/dbraw/zinc/01/60/47/1199016047.db2.gz JUAZWGMBCNXNAR-CGTJXYLNSA-N 2 2 380.533 0.545 20 0 GCADLP CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672029514 1199016050 /nfs/dbraw/zinc/01/60/50/1199016050.db2.gz JUAZWGMBCNXNAR-CGTJXYLNSA-N 2 2 380.533 0.545 20 0 GCADLP O=C(NCCCCn1cc[nH+]c1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057376839 1199048898 /nfs/dbraw/zinc/04/88/98/1199048898.db2.gz WXYUBHQGMDBBAG-UHFFFAOYSA-N 2 2 386.504 0.965 20 0 GCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000921704338 1199050725 /nfs/dbraw/zinc/05/07/25/1199050725.db2.gz DCYBPXJLWBHDSK-KRWDZBQOSA-N 2 2 379.505 0.932 20 0 GCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000542849544 1199075293 /nfs/dbraw/zinc/07/52/93/1199075293.db2.gz CXHUMHSQOOBVRF-LPHOPBHVSA-N 2 2 376.501 0.773 20 0 GCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000542849544 1199075295 /nfs/dbraw/zinc/07/52/95/1199075295.db2.gz CXHUMHSQOOBVRF-LPHOPBHVSA-N 2 2 376.501 0.773 20 0 GCADLP C[C@H]1COCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542849544 1199075298 /nfs/dbraw/zinc/07/52/98/1199075298.db2.gz CXHUMHSQOOBVRF-LPHOPBHVSA-N 2 2 376.501 0.773 20 0 GCADLP C[C@H]1COCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542849544 1199075304 /nfs/dbraw/zinc/07/53/04/1199075304.db2.gz CXHUMHSQOOBVRF-LPHOPBHVSA-N 2 2 376.501 0.773 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465842457 1199080824 /nfs/dbraw/zinc/08/08/24/1199080824.db2.gz MMNIPPUQEMLNQY-QZTJIDSGSA-N 2 2 395.548 0.435 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465842457 1199080829 /nfs/dbraw/zinc/08/08/29/1199080829.db2.gz MMNIPPUQEMLNQY-QZTJIDSGSA-N 2 2 395.548 0.435 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000656059503 1199082394 /nfs/dbraw/zinc/08/23/94/1199082394.db2.gz BHPVSQLOQLVYTB-KRWDZBQOSA-N 2 2 380.533 0.642 20 0 GCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000465887851 1199153214 /nfs/dbraw/zinc/15/32/14/1199153214.db2.gz LDSRZJXABIBPHF-MRXNPFEDSA-N 2 2 391.520 0.491 20 0 GCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2CC[NH+](CCO)CC2)[nH+]cn1 ZINC000465887851 1199153216 /nfs/dbraw/zinc/15/32/16/1199153216.db2.gz LDSRZJXABIBPHF-MRXNPFEDSA-N 2 2 391.520 0.491 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206934 1199160675 /nfs/dbraw/zinc/16/06/75/1199160675.db2.gz AXCOYTODSOXOQE-CRAIPNDOSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C1CC1 ZINC000672206934 1199160670 /nfs/dbraw/zinc/16/06/70/1199160670.db2.gz AXCOYTODSOXOQE-CRAIPNDOSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C1CC1 ZINC000672206934 1199160673 /nfs/dbraw/zinc/16/06/73/1199160673.db2.gz AXCOYTODSOXOQE-CRAIPNDOSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206934 1199160677 /nfs/dbraw/zinc/16/06/77/1199160677.db2.gz AXCOYTODSOXOQE-CRAIPNDOSA-N 3 2 379.549 0.212 20 0 GCADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000265782885 1199186702 /nfs/dbraw/zinc/18/67/02/1199186702.db2.gz GYXPRGRXBHQCHV-UHFFFAOYSA-N 3 2 390.576 0.936 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656360222 1199192232 /nfs/dbraw/zinc/19/22/32/1199192232.db2.gz SHDSHSLEIDPBAD-KURKYZTESA-N 2 2 378.517 0.443 20 0 GCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656360222 1199192235 /nfs/dbraw/zinc/19/22/35/1199192235.db2.gz SHDSHSLEIDPBAD-KURKYZTESA-N 2 2 378.517 0.443 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672305371 1199198228 /nfs/dbraw/zinc/19/82/28/1199198228.db2.gz MIANWHXWXPFHDT-HKUYNNGSSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672305371 1199198232 /nfs/dbraw/zinc/19/82/32/1199198232.db2.gz MIANWHXWXPFHDT-HKUYNNGSSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672305371 1199198234 /nfs/dbraw/zinc/19/82/34/1199198234.db2.gz MIANWHXWXPFHDT-HKUYNNGSSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672305371 1199198238 /nfs/dbraw/zinc/19/82/38/1199198238.db2.gz MIANWHXWXPFHDT-HKUYNNGSSA-N 3 2 391.560 0.214 20 0 GCADLP CN(C(=O)C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672329682 1199209802 /nfs/dbraw/zinc/20/98/02/1199209802.db2.gz JQRIDMYHCQFNTJ-IBGZPJMESA-N 3 2 393.576 0.604 20 0 GCADLP CN(C(=O)C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672329682 1199209807 /nfs/dbraw/zinc/20/98/07/1199209807.db2.gz JQRIDMYHCQFNTJ-IBGZPJMESA-N 3 2 393.576 0.604 20 0 GCADLP CN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672329682 1199209809 /nfs/dbraw/zinc/20/98/09/1199209809.db2.gz JQRIDMYHCQFNTJ-IBGZPJMESA-N 3 2 393.576 0.604 20 0 GCADLP CN(C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672329682 1199209812 /nfs/dbraw/zinc/20/98/12/1199209812.db2.gz JQRIDMYHCQFNTJ-IBGZPJMESA-N 3 2 393.576 0.604 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000672358614 1199218943 /nfs/dbraw/zinc/21/89/43/1199218943.db2.gz IVXZHPZWAFRJMU-KRWDZBQOSA-N 2 2 389.500 0.443 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000672358614 1199218946 /nfs/dbraw/zinc/21/89/46/1199218946.db2.gz IVXZHPZWAFRJMU-KRWDZBQOSA-N 2 2 389.500 0.443 20 0 GCADLP CO[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212451459 1199227219 /nfs/dbraw/zinc/22/72/19/1199227219.db2.gz XODGSFZBILWLBW-VBSBHUPXSA-N 2 2 391.512 0.990 20 0 GCADLP CO[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212451459 1199227223 /nfs/dbraw/zinc/22/72/23/1199227223.db2.gz XODGSFZBILWLBW-VBSBHUPXSA-N 2 2 391.512 0.990 20 0 GCADLP CO[C@@H]1C[NH+](CCCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001212451459 1199227226 /nfs/dbraw/zinc/22/72/26/1199227226.db2.gz XODGSFZBILWLBW-VBSBHUPXSA-N 2 2 391.512 0.990 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC1CC[NH+](CCO)CC1 ZINC000672411358 1199230243 /nfs/dbraw/zinc/23/02/43/1199230243.db2.gz BRFFTEHCMLEDPS-QGZVFWFLSA-N 2 2 388.512 0.292 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC1CC[NH+](CCO)CC1 ZINC000672411358 1199230247 /nfs/dbraw/zinc/23/02/47/1199230247.db2.gz BRFFTEHCMLEDPS-QGZVFWFLSA-N 2 2 388.512 0.292 20 0 GCADLP Cc1nc(C)c(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672487544 1199244967 /nfs/dbraw/zinc/24/49/67/1199244967.db2.gz OCBRIFKJRRCKFB-OAHLLOKOSA-N 2 2 393.557 0.703 20 0 GCADLP Cc1nc(C)c(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672487544 1199244970 /nfs/dbraw/zinc/24/49/70/1199244970.db2.gz OCBRIFKJRRCKFB-OAHLLOKOSA-N 2 2 393.557 0.703 20 0 GCADLP Cc1cccc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672534399 1199263478 /nfs/dbraw/zinc/26/34/78/1199263478.db2.gz QKBFONVOXMHMTE-LJQANCHMSA-N 2 2 387.528 0.676 20 0 GCADLP Cc1cccc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672534399 1199263485 /nfs/dbraw/zinc/26/34/85/1199263485.db2.gz QKBFONVOXMHMTE-LJQANCHMSA-N 2 2 387.528 0.676 20 0 GCADLP CC(C)C[C@@H](CCO)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638507 1199288796 /nfs/dbraw/zinc/28/87/96/1199288796.db2.gz RCUVMUQXAWXKSM-SJORKVTESA-N 2 2 382.549 0.432 20 0 GCADLP CC(C)C[C@@H](CCO)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638507 1199288799 /nfs/dbraw/zinc/28/87/99/1199288799.db2.gz RCUVMUQXAWXKSM-SJORKVTESA-N 2 2 382.549 0.432 20 0 GCADLP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672638447 1199289050 /nfs/dbraw/zinc/28/90/50/1199289050.db2.gz SQAACALFNOUSKB-BQFCYCMXSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672638447 1199289052 /nfs/dbraw/zinc/28/90/52/1199289052.db2.gz SQAACALFNOUSKB-BQFCYCMXSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672638453 1199289168 /nfs/dbraw/zinc/28/91/68/1199289168.db2.gz SQAACALFNOUSKB-NUJGCVRESA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672638453 1199289174 /nfs/dbraw/zinc/28/91/74/1199289174.db2.gz SQAACALFNOUSKB-NUJGCVRESA-N 2 2 380.533 0.591 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C2)CC1 ZINC000672637333 1199289444 /nfs/dbraw/zinc/28/94/44/1199289444.db2.gz FAHJCBXESLGMID-KRWDZBQOSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C2)CC1 ZINC000672637333 1199289451 /nfs/dbraw/zinc/28/94/51/1199289451.db2.gz FAHJCBXESLGMID-KRWDZBQOSA-N 3 2 391.560 0.358 20 0 GCADLP COCC1(C)CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638146 1199289590 /nfs/dbraw/zinc/28/95/90/1199289590.db2.gz MVRKHUPZTWRLAY-INIZCTEOSA-N 2 2 380.533 0.546 20 0 GCADLP COCC1(C)CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638146 1199289595 /nfs/dbraw/zinc/28/95/95/1199289595.db2.gz MVRKHUPZTWRLAY-INIZCTEOSA-N 2 2 380.533 0.546 20 0 GCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637962 1199291339 /nfs/dbraw/zinc/29/13/39/1199291339.db2.gz BCLVISYFYOSOGC-KRWDZBQOSA-N 3 2 379.549 0.071 20 0 GCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637962 1199291347 /nfs/dbraw/zinc/29/13/47/1199291347.db2.gz BCLVISYFYOSOGC-KRWDZBQOSA-N 3 2 379.549 0.071 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638229 1199291559 /nfs/dbraw/zinc/29/15/59/1199291559.db2.gz RBDGFKPQBPTDSG-ROUUACIJSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638229 1199291563 /nfs/dbraw/zinc/29/15/63/1199291563.db2.gz RBDGFKPQBPTDSG-ROUUACIJSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638229 1199291565 /nfs/dbraw/zinc/29/15/65/1199291565.db2.gz RBDGFKPQBPTDSG-ROUUACIJSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638229 1199291568 /nfs/dbraw/zinc/29/15/68/1199291568.db2.gz RBDGFKPQBPTDSG-ROUUACIJSA-N 3 2 393.576 0.652 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638642 1199291997 /nfs/dbraw/zinc/29/19/97/1199291997.db2.gz GEEFLIURIGZHEI-QZTJIDSGSA-N 3 2 393.576 0.509 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638642 1199292000 /nfs/dbraw/zinc/29/20/00/1199292000.db2.gz GEEFLIURIGZHEI-QZTJIDSGSA-N 3 2 393.576 0.509 20 0 GCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637963 1199292073 /nfs/dbraw/zinc/29/20/73/1199292073.db2.gz BCLVISYFYOSOGC-QGZVFWFLSA-N 3 2 379.549 0.071 20 0 GCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637963 1199292077 /nfs/dbraw/zinc/29/20/77/1199292077.db2.gz BCLVISYFYOSOGC-QGZVFWFLSA-N 3 2 379.549 0.071 20 0 GCADLP Cc1csc([C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672640429 1199292921 /nfs/dbraw/zinc/29/29/21/1199292921.db2.gz IPTBEROSGHSKES-ZFWWWQNUSA-N 2 2 393.557 0.956 20 0 GCADLP Cc1csc([C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672640429 1199292925 /nfs/dbraw/zinc/29/29/25/1199292925.db2.gz IPTBEROSGHSKES-ZFWWWQNUSA-N 2 2 393.557 0.956 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)C2)CC1 ZINC000672639130 1199293201 /nfs/dbraw/zinc/29/32/01/1199293201.db2.gz ZRSINLZJSKPHOV-HOTGVXAUSA-N 2 2 388.516 0.400 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)C2)CC1 ZINC000672639130 1199293209 /nfs/dbraw/zinc/29/32/09/1199293209.db2.gz ZRSINLZJSKPHOV-HOTGVXAUSA-N 2 2 388.516 0.400 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640418 1199293419 /nfs/dbraw/zinc/29/34/19/1199293419.db2.gz DSHBYTKSWRQXOM-NVXWUHKLSA-N 3 2 377.533 0.038 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640418 1199293425 /nfs/dbraw/zinc/29/34/25/1199293425.db2.gz DSHBYTKSWRQXOM-NVXWUHKLSA-N 3 2 377.533 0.038 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640418 1199293431 /nfs/dbraw/zinc/29/34/31/1199293431.db2.gz DSHBYTKSWRQXOM-NVXWUHKLSA-N 3 2 377.533 0.038 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640418 1199293439 /nfs/dbraw/zinc/29/34/39/1199293439.db2.gz DSHBYTKSWRQXOM-NVXWUHKLSA-N 3 2 377.533 0.038 20 0 GCADLP Cc1csc([C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672640427 1199293787 /nfs/dbraw/zinc/29/37/87/1199293787.db2.gz IPTBEROSGHSKES-HIFRSBDPSA-N 2 2 393.557 0.956 20 0 GCADLP Cc1csc([C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672640427 1199293793 /nfs/dbraw/zinc/29/37/93/1199293793.db2.gz IPTBEROSGHSKES-HIFRSBDPSA-N 2 2 393.557 0.956 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638938 1199294219 /nfs/dbraw/zinc/29/42/19/1199294219.db2.gz WIYZCLTZQMUMJE-SFHVURJKSA-N 3 2 393.576 0.461 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638938 1199294220 /nfs/dbraw/zinc/29/42/20/1199294220.db2.gz WIYZCLTZQMUMJE-SFHVURJKSA-N 3 2 393.576 0.461 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639405 1199294607 /nfs/dbraw/zinc/29/46/07/1199294607.db2.gz BZTOXRNUJCDBCZ-IRXDYDNUSA-N 3 2 379.549 0.262 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639405 1199294611 /nfs/dbraw/zinc/29/46/11/1199294611.db2.gz BZTOXRNUJCDBCZ-IRXDYDNUSA-N 3 2 379.549 0.262 20 0 GCADLP Cc1cnc([C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640295 1199294680 /nfs/dbraw/zinc/29/46/80/1199294680.db2.gz YZIWHRAGCMHADI-HIFRSBDPSA-N 2 2 393.557 0.956 20 0 GCADLP Cc1cnc([C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640295 1199294684 /nfs/dbraw/zinc/29/46/84/1199294684.db2.gz YZIWHRAGCMHADI-HIFRSBDPSA-N 2 2 393.557 0.956 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCCC4)C3)C2)CC1 ZINC000672639961 1199295646 /nfs/dbraw/zinc/29/56/46/1199295646.db2.gz UWSGRWNOCBUWGF-MRXNPFEDSA-N 2 2 378.517 0.443 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCCC4)C3)C2)CC1 ZINC000672639961 1199295650 /nfs/dbraw/zinc/29/56/50/1199295650.db2.gz UWSGRWNOCBUWGF-MRXNPFEDSA-N 2 2 378.517 0.443 20 0 GCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640242 1199296185 /nfs/dbraw/zinc/29/61/85/1199296185.db2.gz YDHZVODNMOJDQX-IAGOWNOFSA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640242 1199296189 /nfs/dbraw/zinc/29/61/89/1199296189.db2.gz YDHZVODNMOJDQX-IAGOWNOFSA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640242 1199296191 /nfs/dbraw/zinc/29/61/91/1199296191.db2.gz YDHZVODNMOJDQX-IAGOWNOFSA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640242 1199296194 /nfs/dbraw/zinc/29/61/94/1199296194.db2.gz YDHZVODNMOJDQX-IAGOWNOFSA-N 3 2 379.549 0.071 20 0 GCADLP C[C@H](CCc1cccn1C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640105 1199296673 /nfs/dbraw/zinc/29/66/73/1199296673.db2.gz VKKZHKSNEXDQNL-IAGOWNOFSA-N 2 2 389.544 0.747 20 0 GCADLP C[C@H](CCc1cccn1C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640105 1199296677 /nfs/dbraw/zinc/29/66/77/1199296677.db2.gz VKKZHKSNEXDQNL-IAGOWNOFSA-N 2 2 389.544 0.747 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@@H]43)C2)CC1 ZINC000672640262 1199296720 /nfs/dbraw/zinc/29/67/20/1199296720.db2.gz UZECEMJDZHUADM-AOIWGVFYSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@@H]43)C2)CC1 ZINC000672640262 1199296724 /nfs/dbraw/zinc/29/67/24/1199296724.db2.gz UZECEMJDZHUADM-AOIWGVFYSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640262 1199296726 /nfs/dbraw/zinc/29/67/26/1199296726.db2.gz UZECEMJDZHUADM-AOIWGVFYSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640262 1199296731 /nfs/dbraw/zinc/29/67/31/1199296731.db2.gz UZECEMJDZHUADM-AOIWGVFYSA-N 3 2 391.560 0.214 20 0 GCADLP CCOCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641228 1199297451 /nfs/dbraw/zinc/29/74/51/1199297451.db2.gz OBOSOLIASFQUPP-MRXNPFEDSA-N 2 2 380.533 0.594 20 0 GCADLP CCOCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641228 1199297455 /nfs/dbraw/zinc/29/74/55/1199297455.db2.gz OBOSOLIASFQUPP-MRXNPFEDSA-N 2 2 380.533 0.594 20 0 GCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640977 1199297965 /nfs/dbraw/zinc/29/79/65/1199297965.db2.gz HXJLNVHYIGFGFA-SJLPKXTDSA-N 3 2 395.592 0.754 20 0 GCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640977 1199297970 /nfs/dbraw/zinc/29/79/70/1199297970.db2.gz HXJLNVHYIGFGFA-SJLPKXTDSA-N 3 2 395.592 0.754 20 0 GCADLP C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641372 1199298426 /nfs/dbraw/zinc/29/84/26/1199298426.db2.gz PQBICWVFZZVSGX-XYJFISCASA-N 2 2 380.533 0.423 20 0 GCADLP C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641372 1199298429 /nfs/dbraw/zinc/29/84/29/1199298429.db2.gz PQBICWVFZZVSGX-XYJFISCASA-N 2 2 380.533 0.423 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641027 1199298568 /nfs/dbraw/zinc/29/85/68/1199298568.db2.gz KDNCJZSXYOZXFK-AOIWGVFYSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641027 1199298572 /nfs/dbraw/zinc/29/85/72/1199298572.db2.gz KDNCJZSXYOZXFK-AOIWGVFYSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641027 1199298573 /nfs/dbraw/zinc/29/85/73/1199298573.db2.gz KDNCJZSXYOZXFK-AOIWGVFYSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641027 1199298577 /nfs/dbraw/zinc/29/85/77/1199298577.db2.gz KDNCJZSXYOZXFK-AOIWGVFYSA-N 3 2 391.560 0.214 20 0 GCADLP CCOCCC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641227 1199298794 /nfs/dbraw/zinc/29/87/94/1199298794.db2.gz OBOSOLIASFQUPP-INIZCTEOSA-N 2 2 380.533 0.594 20 0 GCADLP CCOCCC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641227 1199298800 /nfs/dbraw/zinc/29/88/00/1199298800.db2.gz OBOSOLIASFQUPP-INIZCTEOSA-N 2 2 380.533 0.594 20 0 GCADLP CC(C)C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640815 1199298816 /nfs/dbraw/zinc/29/88/16/1199298816.db2.gz AVXFBXMUTHYOLL-SJLPKXTDSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640815 1199298821 /nfs/dbraw/zinc/29/88/21/1199298821.db2.gz AVXFBXMUTHYOLL-SJLPKXTDSA-N 2 2 380.533 0.545 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)C2)CC1 ZINC000672641088 1199298962 /nfs/dbraw/zinc/29/89/62/1199298962.db2.gz KZGRIJDDVFIGLC-SOLBZPMBSA-N 2 2 394.560 0.981 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)C2)CC1 ZINC000672641088 1199298967 /nfs/dbraw/zinc/29/89/67/1199298967.db2.gz KZGRIJDDVFIGLC-SOLBZPMBSA-N 2 2 394.560 0.981 20 0 GCADLP CC(C)c1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672640949 1199299150 /nfs/dbraw/zinc/29/91/50/1199299150.db2.gz MMVKWSNVZOCXER-CQSZACIVSA-N 2 2 377.489 0.699 20 0 GCADLP CC(C)c1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672640949 1199299152 /nfs/dbraw/zinc/29/91/52/1199299152.db2.gz MMVKWSNVZOCXER-CQSZACIVSA-N 2 2 377.489 0.699 20 0 GCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672642503 1199300273 /nfs/dbraw/zinc/30/02/73/1199300273.db2.gz MSCRGSLXOQOOLT-NUJGCVRESA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672642503 1199300276 /nfs/dbraw/zinc/30/02/76/1199300276.db2.gz MSCRGSLXOQOOLT-NUJGCVRESA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642503 1199300281 /nfs/dbraw/zinc/30/02/81/1199300281.db2.gz MSCRGSLXOQOOLT-NUJGCVRESA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642503 1199300284 /nfs/dbraw/zinc/30/02/84/1199300284.db2.gz MSCRGSLXOQOOLT-NUJGCVRESA-N 3 2 379.549 0.070 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC[C@@H]3CCCCO3)C2)CC1 ZINC000672642131 1199301107 /nfs/dbraw/zinc/30/11/07/1199301107.db2.gz YMRXDRZGABGPEX-WMZOPIPTSA-N 2 2 380.533 0.737 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC[C@@H]3CCCCO3)C2)CC1 ZINC000672642131 1199301113 /nfs/dbraw/zinc/30/11/13/1199301113.db2.gz YMRXDRZGABGPEX-WMZOPIPTSA-N 2 2 380.533 0.737 20 0 GCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672642502 1199301695 /nfs/dbraw/zinc/30/16/95/1199301695.db2.gz MSCRGSLXOQOOLT-JFIYKMOQSA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672642502 1199301700 /nfs/dbraw/zinc/30/17/00/1199301700.db2.gz MSCRGSLXOQOOLT-JFIYKMOQSA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642502 1199301707 /nfs/dbraw/zinc/30/17/07/1199301707.db2.gz MSCRGSLXOQOOLT-JFIYKMOQSA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642502 1199301710 /nfs/dbraw/zinc/30/17/10/1199301710.db2.gz MSCRGSLXOQOOLT-JFIYKMOQSA-N 3 2 379.549 0.070 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)C2)CC1 ZINC000672643224 1199302722 /nfs/dbraw/zinc/30/27/22/1199302722.db2.gz VDMMGPMWTLHOCT-LLLHUVSDSA-N 2 2 378.517 0.201 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)C2)CC1 ZINC000672643224 1199302726 /nfs/dbraw/zinc/30/27/26/1199302726.db2.gz VDMMGPMWTLHOCT-LLLHUVSDSA-N 2 2 378.517 0.201 20 0 GCADLP COCCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[C@@H](C)C1 ZINC000672641748 1199302957 /nfs/dbraw/zinc/30/29/57/1199302957.db2.gz SYBWTFRVWQYCII-ZHALLVOQSA-N 2 2 394.560 0.935 20 0 GCADLP COCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[C@@H](C)C1 ZINC000672641748 1199302961 /nfs/dbraw/zinc/30/29/61/1199302961.db2.gz SYBWTFRVWQYCII-ZHALLVOQSA-N 2 2 394.560 0.935 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672642614 1199302972 /nfs/dbraw/zinc/30/29/72/1199302972.db2.gz PTOYEVIUAZBXNZ-KRWDZBQOSA-N 2 2 379.549 0.071 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642951 1199303448 /nfs/dbraw/zinc/30/34/48/1199303448.db2.gz YNFGHJIABVSBOJ-KURKYZTESA-N 3 2 393.576 0.508 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642951 1199303455 /nfs/dbraw/zinc/30/34/55/1199303455.db2.gz YNFGHJIABVSBOJ-KURKYZTESA-N 3 2 393.576 0.508 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642951 1199303458 /nfs/dbraw/zinc/30/34/58/1199303458.db2.gz YNFGHJIABVSBOJ-KURKYZTESA-N 3 2 393.576 0.508 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642951 1199303462 /nfs/dbraw/zinc/30/34/62/1199303462.db2.gz YNFGHJIABVSBOJ-KURKYZTESA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641889 1199304298 /nfs/dbraw/zinc/30/42/98/1199304298.db2.gz ZRWWMVBPXJEVTR-APWZRJJASA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641889 1199304306 /nfs/dbraw/zinc/30/43/06/1199304306.db2.gz ZRWWMVBPXJEVTR-APWZRJJASA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641889 1199304314 /nfs/dbraw/zinc/30/43/14/1199304314.db2.gz ZRWWMVBPXJEVTR-APWZRJJASA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641889 1199304324 /nfs/dbraw/zinc/30/43/24/1199304324.db2.gz ZRWWMVBPXJEVTR-APWZRJJASA-N 3 2 391.560 0.404 20 0 GCADLP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641889 1199304331 /nfs/dbraw/zinc/30/43/31/1199304331.db2.gz ZRWWMVBPXJEVTR-APWZRJJASA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641889 1199304334 /nfs/dbraw/zinc/30/43/34/1199304334.db2.gz ZRWWMVBPXJEVTR-APWZRJJASA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641889 1199304342 /nfs/dbraw/zinc/30/43/42/1199304342.db2.gz ZRWWMVBPXJEVTR-APWZRJJASA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641889 1199304348 /nfs/dbraw/zinc/30/43/48/1199304348.db2.gz ZRWWMVBPXJEVTR-APWZRJJASA-N 2 2 391.560 0.404 20 0 GCADLP CCc1cnc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672642718 1199305048 /nfs/dbraw/zinc/30/50/48/1199305048.db2.gz FTULETGMXYUIJN-CYBMUJFWSA-N 2 2 379.530 0.606 20 0 GCADLP CCc1cnc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672642718 1199305050 /nfs/dbraw/zinc/30/50/50/1199305050.db2.gz FTULETGMXYUIJN-CYBMUJFWSA-N 2 2 379.530 0.606 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643052 1199305234 /nfs/dbraw/zinc/30/52/34/1199305234.db2.gz NNLLWSQBRZWBBZ-MJGOQNOKSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643052 1199305239 /nfs/dbraw/zinc/30/52/39/1199305239.db2.gz NNLLWSQBRZWBBZ-MJGOQNOKSA-N 3 2 391.560 0.358 20 0 GCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000077549860 1199313984 /nfs/dbraw/zinc/31/39/84/1199313984.db2.gz WKIYEXMLSHHESO-UHFFFAOYSA-N 2 2 381.565 0.766 20 0 GCADLP CSCC(=O)N1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)c[nH+]2)C1 ZINC001272962855 1199316969 /nfs/dbraw/zinc/31/69/69/1199316969.db2.gz OUWACTAOGKHWLN-HUUCEWRRSA-N 2 2 379.530 0.536 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000672822545 1199342215 /nfs/dbraw/zinc/34/22/15/1199342215.db2.gz SQKMKJPKWKZPGN-KRWDZBQOSA-N 2 2 389.500 0.333 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000672822545 1199342222 /nfs/dbraw/zinc/34/22/22/1199342222.db2.gz SQKMKJPKWKZPGN-KRWDZBQOSA-N 2 2 389.500 0.333 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COCCNC(=O)c3ccccc3)C2)CC1 ZINC000680191162 1199356725 /nfs/dbraw/zinc/35/67/25/1199356725.db2.gz MHCWRZALYLHXSN-GOSISDBHSA-N 2 2 388.512 0.718 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COCCNC(=O)c3ccccc3)C2)CC1 ZINC000680191162 1199356730 /nfs/dbraw/zinc/35/67/30/1199356730.db2.gz MHCWRZALYLHXSN-GOSISDBHSA-N 2 2 388.512 0.718 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000672974928 1199378467 /nfs/dbraw/zinc/37/84/67/1199378467.db2.gz HSGVBTCYOXQXRA-CGTJXYLNSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000672974928 1199378472 /nfs/dbraw/zinc/37/84/72/1199378472.db2.gz HSGVBTCYOXQXRA-CGTJXYLNSA-N 2 2 380.533 0.687 20 0 GCADLP CN(C(=O)C(=O)NCC[C@H]1CCCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673113516 1199429581 /nfs/dbraw/zinc/42/95/81/1199429581.db2.gz XMHHLRYISDIDIH-QZTJIDSGSA-N 2 2 380.533 0.689 20 0 GCADLP CN(C(=O)C(=O)NCC[C@H]1CCCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673113516 1199429584 /nfs/dbraw/zinc/42/95/84/1199429584.db2.gz XMHHLRYISDIDIH-QZTJIDSGSA-N 2 2 380.533 0.689 20 0 GCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2c[nH+]cc2C)C1 ZINC001003192681 1199449186 /nfs/dbraw/zinc/44/91/86/1199449186.db2.gz CRBRRIUGFFPQEF-WCXIOVBPSA-N 2 2 375.473 0.160 20 0 GCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2c[nH+]cc2C)C1 ZINC001003192681 1199449190 /nfs/dbraw/zinc/44/91/90/1199449190.db2.gz CRBRRIUGFFPQEF-WCXIOVBPSA-N 2 2 375.473 0.160 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)CCCO)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673157217 1199460457 /nfs/dbraw/zinc/46/04/57/1199460457.db2.gz IDYFNFAZUVKRNB-KRWDZBQOSA-N 2 2 382.549 0.528 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)CCCO)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673157217 1199460461 /nfs/dbraw/zinc/46/04/61/1199460461.db2.gz IDYFNFAZUVKRNB-KRWDZBQOSA-N 2 2 382.549 0.528 20 0 GCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673287440 1199517469 /nfs/dbraw/zinc/51/74/69/1199517469.db2.gz YTBFVEMIPOAQLE-MAUKXSAKSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673287440 1199517471 /nfs/dbraw/zinc/51/74/71/1199517471.db2.gz YTBFVEMIPOAQLE-MAUKXSAKSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287440 1199517475 /nfs/dbraw/zinc/51/74/75/1199517475.db2.gz YTBFVEMIPOAQLE-MAUKXSAKSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287440 1199517480 /nfs/dbraw/zinc/51/74/80/1199517480.db2.gz YTBFVEMIPOAQLE-MAUKXSAKSA-N 2 2 388.512 0.593 20 0 GCADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302747 1199528352 /nfs/dbraw/zinc/52/83/52/1199528352.db2.gz VRLWNVCUXFLFMR-INIZCTEOSA-N 2 2 389.500 0.346 20 0 GCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673303856 1199528868 /nfs/dbraw/zinc/52/88/68/1199528868.db2.gz LBSUFDOEQXADQS-SJORKVTESA-N 2 2 389.500 0.346 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCO1 ZINC000673301675 1199533151 /nfs/dbraw/zinc/53/31/51/1199533151.db2.gz GSZZXSSWEJCUHX-SJORKVTESA-N 2 2 389.500 0.394 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCO1 ZINC000673301675 1199533155 /nfs/dbraw/zinc/53/31/55/1199533155.db2.gz GSZZXSSWEJCUHX-SJORKVTESA-N 2 2 389.500 0.394 20 0 GCADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000080012667 1199564068 /nfs/dbraw/zinc/56/40/68/1199564068.db2.gz YJEMSQHPKZWZEW-QGZVFWFLSA-N 2 2 377.537 0.874 20 0 GCADLP COCCC(C)(C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673408052 1199599396 /nfs/dbraw/zinc/59/93/96/1199599396.db2.gz NKRHKGFPCJERJK-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP COCCC(C)(C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673408052 1199599400 /nfs/dbraw/zinc/59/94/00/1199599400.db2.gz NKRHKGFPCJERJK-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673434495 1199643984 /nfs/dbraw/zinc/64/39/84/1199643984.db2.gz NRFMZNFNXOPZQB-AOIWGVFYSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673434495 1199643988 /nfs/dbraw/zinc/64/39/88/1199643988.db2.gz NRFMZNFNXOPZQB-AOIWGVFYSA-N 2 2 394.560 0.935 20 0 GCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)C1 ZINC001003752152 1199655666 /nfs/dbraw/zinc/65/56/66/1199655666.db2.gz FIULSQAGRJYDAZ-WCXIOVBPSA-N 2 2 375.473 0.240 20 0 GCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)C1 ZINC001003752152 1199655671 /nfs/dbraw/zinc/65/56/71/1199655671.db2.gz FIULSQAGRJYDAZ-WCXIOVBPSA-N 2 2 375.473 0.240 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673473048 1199690688 /nfs/dbraw/zinc/69/06/88/1199690688.db2.gz UEGSKXUMPBQYBR-YTQUADARSA-N 2 2 392.544 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673473048 1199690690 /nfs/dbraw/zinc/69/06/90/1199690690.db2.gz UEGSKXUMPBQYBR-YTQUADARSA-N 2 2 392.544 0.687 20 0 GCADLP CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000922342819 1199735668 /nfs/dbraw/zinc/73/56/68/1199735668.db2.gz IQCVJPHNUDKDDA-FQEVSTJZSA-N 2 2 395.592 0.315 20 0 GCADLP CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000922342819 1199735673 /nfs/dbraw/zinc/73/56/73/1199735673.db2.gz IQCVJPHNUDKDDA-FQEVSTJZSA-N 2 2 395.592 0.315 20 0 GCADLP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000673534076 1199739868 /nfs/dbraw/zinc/73/98/68/1199739868.db2.gz PWVBSXJLKLJEMK-QGZVFWFLSA-N 2 2 388.468 0.003 20 0 GCADLP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000673534076 1199739874 /nfs/dbraw/zinc/73/98/74/1199739874.db2.gz PWVBSXJLKLJEMK-QGZVFWFLSA-N 2 2 388.468 0.003 20 0 GCADLP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000673534076 1199739877 /nfs/dbraw/zinc/73/98/77/1199739877.db2.gz PWVBSXJLKLJEMK-QGZVFWFLSA-N 2 2 388.468 0.003 20 0 GCADLP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000673534076 1199739882 /nfs/dbraw/zinc/73/98/82/1199739882.db2.gz PWVBSXJLKLJEMK-QGZVFWFLSA-N 2 2 388.468 0.003 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001004214472 1199817212 /nfs/dbraw/zinc/81/72/12/1199817212.db2.gz BSUNTEMZVNAURP-IDCNUPLLSA-N 2 2 382.468 0.899 20 0 GCADLP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000673582942 1199829363 /nfs/dbraw/zinc/82/93/63/1199829363.db2.gz XZMVMVYNSKBOLP-IRXDYDNUSA-N 2 2 389.500 0.610 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](CC)C[C@@H]3C)O2)[C@H](C)C1 ZINC000329383987 1199840358 /nfs/dbraw/zinc/84/03/58/1199840358.db2.gz OUGKLBFZNAGWAQ-FZDBZEDMSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](CC)C[C@@H]3C)O2)[C@H](C)C1 ZINC000329383987 1199840368 /nfs/dbraw/zinc/84/03/68/1199840368.db2.gz OUGKLBFZNAGWAQ-FZDBZEDMSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](CC)C[C@H]3C)O2)[C@@H](C)C1 ZINC000329383987 1199840374 /nfs/dbraw/zinc/84/03/74/1199840374.db2.gz OUGKLBFZNAGWAQ-FZDBZEDMSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](CC)C[C@H]3C)O2)[C@@H](C)C1 ZINC000329383987 1199840380 /nfs/dbraw/zinc/84/03/80/1199840380.db2.gz OUGKLBFZNAGWAQ-FZDBZEDMSA-N 2 2 380.533 0.639 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)O2)CC[NH+]1C ZINC000330266818 1199855028 /nfs/dbraw/zinc/85/50/28/1199855028.db2.gz AHMIWDAZIUWHSM-LMMHAMTPSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)O2)CC[NH+]1C ZINC000330266818 1199855031 /nfs/dbraw/zinc/85/50/31/1199855031.db2.gz AHMIWDAZIUWHSM-LMMHAMTPSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)O2)CC[NH+]1C ZINC000330266818 1199855033 /nfs/dbraw/zinc/85/50/33/1199855033.db2.gz AHMIWDAZIUWHSM-LMMHAMTPSA-N 2 2 380.533 0.636 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)O2)CC[NH+]1C ZINC000330266818 1199855036 /nfs/dbraw/zinc/85/50/36/1199855036.db2.gz AHMIWDAZIUWHSM-LMMHAMTPSA-N 2 2 380.533 0.636 20 0 GCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Oc3ccc(S(N)(=O)=O)cc3)ncn2)CC1 ZINC001168735923 1199885501 /nfs/dbraw/zinc/88/55/01/1199885501.db2.gz WFFOIGDFTCDHMV-UHFFFAOYSA-N 2 2 391.457 0.510 20 0 GCADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000673873079 1199964223 /nfs/dbraw/zinc/96/42/23/1199964223.db2.gz VAELLYWUTQKIDM-UHFFFAOYSA-N 2 2 390.532 0.996 20 0 GCADLP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133457471 1200079756 /nfs/dbraw/zinc/07/97/56/1200079756.db2.gz HEPXRXFMTJRCOU-KRWDZBQOSA-N 2 2 386.500 0.467 20 0 GCADLP O=C1CNC(=O)N1CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133457471 1200079760 /nfs/dbraw/zinc/07/97/60/1200079760.db2.gz HEPXRXFMTJRCOU-KRWDZBQOSA-N 2 2 386.500 0.467 20 0 GCADLP COC1CC[NH+](CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000674327117 1200221207 /nfs/dbraw/zinc/22/12/07/1200221207.db2.gz LBXCQSKIZYUVHZ-UHFFFAOYSA-N 3 2 381.565 0.955 20 0 GCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@H]2C1 ZINC000670526891 1200404326 /nfs/dbraw/zinc/40/43/26/1200404326.db2.gz FGXJZHOEUCDFJT-MSOLQXFVSA-N 2 2 392.544 0.690 20 0 GCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@H]2C1 ZINC000670526891 1200404328 /nfs/dbraw/zinc/40/43/28/1200404328.db2.gz FGXJZHOEUCDFJT-MSOLQXFVSA-N 2 2 392.544 0.690 20 0 GCADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000175075930 1200416008 /nfs/dbraw/zinc/41/60/08/1200416008.db2.gz WOBHTVIAZZRRAG-HKUYNNGSSA-N 2 2 380.533 0.994 20 0 GCADLP CN(C(=O)Cn1c2ccccc2c(=O)[nH]c1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605464 1200437401 /nfs/dbraw/zinc/43/74/01/1200437401.db2.gz MJKWFSHXLDUQQA-INIZCTEOSA-N 2 2 399.495 0.729 20 0 GCADLP CN(C(=O)Cn1c2ccccc2c(=O)[nH]c1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605464 1200437405 /nfs/dbraw/zinc/43/74/05/1200437405.db2.gz MJKWFSHXLDUQQA-INIZCTEOSA-N 2 2 399.495 0.729 20 0 GCADLP CN(C(=O)Cn1c2ccccc2c(=O)[nH]c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605465 1200437659 /nfs/dbraw/zinc/43/76/59/1200437659.db2.gz MJKWFSHXLDUQQA-MRXNPFEDSA-N 2 2 399.495 0.729 20 0 GCADLP CN(C(=O)Cn1c2ccccc2c(=O)[nH]c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605465 1200437664 /nfs/dbraw/zinc/43/76/64/1200437664.db2.gz MJKWFSHXLDUQQA-MRXNPFEDSA-N 2 2 399.495 0.729 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000675620809 1200444781 /nfs/dbraw/zinc/44/47/81/1200444781.db2.gz MQBGBEPTCKDFTA-MRXNPFEDSA-N 2 2 385.534 0.696 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000675620809 1200444786 /nfs/dbraw/zinc/44/47/86/1200444786.db2.gz MQBGBEPTCKDFTA-MRXNPFEDSA-N 2 2 385.534 0.696 20 0 GCADLP OCCn1ncc2c1CCC[C@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000675767157 1200459042 /nfs/dbraw/zinc/45/90/42/1200459042.db2.gz AZVYYQGZMFAICS-LJQANCHMSA-N 2 2 377.533 0.639 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676043890 1200480231 /nfs/dbraw/zinc/48/02/31/1200480231.db2.gz YGNLFILZPMWLHP-IAOVAPTHSA-N 2 2 396.919 0.894 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676043890 1200480253 /nfs/dbraw/zinc/48/02/53/1200480253.db2.gz YGNLFILZPMWLHP-IAOVAPTHSA-N 2 2 396.919 0.894 20 0 GCADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241857 1200512789 /nfs/dbraw/zinc/51/27/89/1200512789.db2.gz IPURJUDRPODTHT-SJORKVTESA-N 2 2 391.520 0.007 20 0 GCADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241857 1200512797 /nfs/dbraw/zinc/51/27/97/1200512797.db2.gz IPURJUDRPODTHT-SJORKVTESA-N 2 2 391.520 0.007 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)[C@H]1C[NH+](C)CCO1 ZINC000676241425 1200513193 /nfs/dbraw/zinc/51/31/93/1200513193.db2.gz PLCOHJAIYLNSKV-JCGIZDLHSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)[C@H]1C[NH+](C)CCO1 ZINC000676241425 1200513197 /nfs/dbraw/zinc/51/31/97/1200513197.db2.gz PLCOHJAIYLNSKV-JCGIZDLHSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676241425 1200513206 /nfs/dbraw/zinc/51/32/06/1200513206.db2.gz PLCOHJAIYLNSKV-JCGIZDLHSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241425 1200513211 /nfs/dbraw/zinc/51/32/11/1200513211.db2.gz PLCOHJAIYLNSKV-JCGIZDLHSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241856 1200513547 /nfs/dbraw/zinc/51/35/47/1200513547.db2.gz IPURJUDRPODTHT-IRXDYDNUSA-N 2 2 391.520 0.007 20 0 GCADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241856 1200513554 /nfs/dbraw/zinc/51/35/54/1200513554.db2.gz IPURJUDRPODTHT-IRXDYDNUSA-N 2 2 391.520 0.007 20 0 GCADLP C[C@@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676297699 1200539966 /nfs/dbraw/zinc/53/99/66/1200539966.db2.gz RTVKGHAIZHIPIS-NVXWUHKLSA-N 2 2 397.564 0.631 20 0 GCADLP C[C@@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676297699 1200539970 /nfs/dbraw/zinc/53/99/70/1200539970.db2.gz RTVKGHAIZHIPIS-NVXWUHKLSA-N 2 2 397.564 0.631 20 0 GCADLP CN(C)C(=O)Cn1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000548737045 1200611673 /nfs/dbraw/zinc/61/16/73/1200611673.db2.gz ARKZVNYYWFWCAU-UHFFFAOYSA-N 2 2 391.520 0.651 20 0 GCADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000558373062 1200706309 /nfs/dbraw/zinc/70/63/09/1200706309.db2.gz PQHQRHQONYZJMR-DLBZAZTESA-N 2 2 376.505 1.306 20 0 GCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000477024202 1200776819 /nfs/dbraw/zinc/77/68/19/1200776819.db2.gz AKGMSWLDYRCHJG-MRXNPFEDSA-N 3 2 381.565 0.508 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000477079749 1200816512 /nfs/dbraw/zinc/81/65/12/1200816512.db2.gz CTWGVEPIPUXUIA-KRWDZBQOSA-N 2 2 397.564 0.236 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000477079749 1200816522 /nfs/dbraw/zinc/81/65/22/1200816522.db2.gz CTWGVEPIPUXUIA-KRWDZBQOSA-N 2 2 397.564 0.236 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000477079750 1200816589 /nfs/dbraw/zinc/81/65/89/1200816589.db2.gz CTWGVEPIPUXUIA-QGZVFWFLSA-N 2 2 397.564 0.236 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000477079750 1200816594 /nfs/dbraw/zinc/81/65/94/1200816594.db2.gz CTWGVEPIPUXUIA-QGZVFWFLSA-N 2 2 397.564 0.236 20 0 GCADLP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331744 1200956262 /nfs/dbraw/zinc/95/62/62/1200956262.db2.gz FXTGXEFOQHYMGJ-DLBZAZTESA-N 2 2 377.485 0.721 20 0 GCADLP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331744 1200956265 /nfs/dbraw/zinc/95/62/65/1200956265.db2.gz FXTGXEFOQHYMGJ-DLBZAZTESA-N 2 2 377.485 0.721 20 0 GCADLP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331748 1200956632 /nfs/dbraw/zinc/95/66/32/1200956632.db2.gz FXTGXEFOQHYMGJ-IAGOWNOFSA-N 2 2 377.485 0.721 20 0 GCADLP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331748 1200956634 /nfs/dbraw/zinc/95/66/34/1200956634.db2.gz FXTGXEFOQHYMGJ-IAGOWNOFSA-N 2 2 377.485 0.721 20 0 GCADLP Cc1nc(NCc2cccc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c2)cc[nH+]1 ZINC000567365846 1201039825 /nfs/dbraw/zinc/03/98/25/1201039825.db2.gz NIGHGVXSJQNAAB-CQSZACIVSA-N 2 2 384.484 1.193 20 0 GCADLP CS[C@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1[NH+](C)C ZINC000329570434 1201045218 /nfs/dbraw/zinc/04/52/18/1201045218.db2.gz MGSXFVVGURSMSQ-GJZGRUSLSA-N 2 2 382.534 0.725 20 0 GCADLP CS[C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1[NH+](C)C ZINC000329570437 1201045449 /nfs/dbraw/zinc/04/54/49/1201045449.db2.gz MGSXFVVGURSMSQ-LSDHHAIUSA-N 2 2 382.534 0.725 20 0 GCADLP NC(=O)C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000544460692 1201049878 /nfs/dbraw/zinc/04/98/78/1201049878.db2.gz UTRGPRTVVOILKW-LJQANCHMSA-N 2 2 388.512 0.591 20 0 GCADLP CN(C(=O)C(=O)Nc1cc2n(n1)CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376839621 1201060492 /nfs/dbraw/zinc/06/04/92/1201060492.db2.gz RVKHQPDIDRHFKL-KRWDZBQOSA-N 2 2 388.516 0.785 20 0 GCADLP CN(C(=O)C(=O)Nc1cc2n(n1)CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376839621 1201060501 /nfs/dbraw/zinc/06/05/01/1201060501.db2.gz RVKHQPDIDRHFKL-KRWDZBQOSA-N 2 2 388.516 0.785 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000411818654 1201076521 /nfs/dbraw/zinc/07/65/21/1201076521.db2.gz BIGGKXPACXSCLW-QGZVFWFLSA-N 2 2 398.511 1.116 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000411818654 1201076525 /nfs/dbraw/zinc/07/65/25/1201076525.db2.gz BIGGKXPACXSCLW-QGZVFWFLSA-N 2 2 398.511 1.116 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848253 1201308513 /nfs/dbraw/zinc/30/85/13/1201308513.db2.gz UXJCSJGFCTYXBZ-UTRMSSBJSA-N 2 2 377.485 0.213 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848253 1201308518 /nfs/dbraw/zinc/30/85/18/1201308518.db2.gz UXJCSJGFCTYXBZ-UTRMSSBJSA-N 2 2 377.485 0.213 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848253 1201308523 /nfs/dbraw/zinc/30/85/23/1201308523.db2.gz UXJCSJGFCTYXBZ-UTRMSSBJSA-N 2 2 377.485 0.213 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848253 1201308531 /nfs/dbraw/zinc/30/85/31/1201308531.db2.gz UXJCSJGFCTYXBZ-UTRMSSBJSA-N 2 2 377.485 0.213 20 0 GCADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590338 1201340416 /nfs/dbraw/zinc/34/04/16/1201340416.db2.gz QLDXZUMAEJLEOV-MUIFIZLQSA-N 2 2 378.521 0.652 20 0 GCADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590338 1201340419 /nfs/dbraw/zinc/34/04/19/1201340419.db2.gz QLDXZUMAEJLEOV-MUIFIZLQSA-N 2 2 378.521 0.652 20 0 GCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C)on1 ZINC001082657398 1201343123 /nfs/dbraw/zinc/34/31/23/1201343123.db2.gz WNWCXOMXHPVMNZ-OPNNQBFTSA-N 2 2 392.500 0.799 20 0 GCADLP COc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@H]3C2)c1 ZINC001083119184 1201379585 /nfs/dbraw/zinc/37/95/85/1201379585.db2.gz HDKIUQOWPUERMO-XWPNQZOQSA-N 2 2 389.496 0.826 20 0 GCADLP COc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@H]3C2)c1 ZINC001083119184 1201379591 /nfs/dbraw/zinc/37/95/91/1201379591.db2.gz HDKIUQOWPUERMO-XWPNQZOQSA-N 2 2 389.496 0.826 20 0 GCADLP COc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@H]3C2)c1 ZINC001083119184 1201379597 /nfs/dbraw/zinc/37/95/97/1201379597.db2.gz HDKIUQOWPUERMO-XWPNQZOQSA-N 2 2 389.496 0.826 20 0 GCADLP COc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@H]3C2)c1 ZINC001083119184 1201379601 /nfs/dbraw/zinc/37/96/01/1201379601.db2.gz HDKIUQOWPUERMO-XWPNQZOQSA-N 2 2 389.496 0.826 20 0 GCADLP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@H]3C2)n1 ZINC001083119228 1201380306 /nfs/dbraw/zinc/38/03/06/1201380306.db2.gz IPOGBLRIGOEPMQ-FCGDIQPGSA-N 2 2 391.516 0.131 20 0 GCADLP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@H]3C2)n1 ZINC001083119228 1201380308 /nfs/dbraw/zinc/38/03/08/1201380308.db2.gz IPOGBLRIGOEPMQ-FCGDIQPGSA-N 2 2 391.516 0.131 20 0 GCADLP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@H]3C2)n1 ZINC001083119228 1201380311 /nfs/dbraw/zinc/38/03/11/1201380311.db2.gz IPOGBLRIGOEPMQ-FCGDIQPGSA-N 2 2 391.516 0.131 20 0 GCADLP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@H]3C2)n1 ZINC001083119228 1201380316 /nfs/dbraw/zinc/38/03/16/1201380316.db2.gz IPOGBLRIGOEPMQ-FCGDIQPGSA-N 2 2 391.516 0.131 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@@H]32)CC[N@@H+]1C ZINC001083087341 1201383631 /nfs/dbraw/zinc/38/36/31/1201383631.db2.gz DFPUYMFKVVAEQF-XWTMOSNGSA-N 2 2 378.517 0.249 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@@H]32)CC[N@H+]1C ZINC001083087341 1201383638 /nfs/dbraw/zinc/38/36/38/1201383638.db2.gz DFPUYMFKVVAEQF-XWTMOSNGSA-N 2 2 378.517 0.249 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N(C)C4CC4)C[C@@H]32)CC[NH+]1C ZINC001083087341 1201383642 /nfs/dbraw/zinc/38/36/42/1201383642.db2.gz DFPUYMFKVVAEQF-XWTMOSNGSA-N 2 2 378.517 0.249 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@@H]32)CC[NH+]1C ZINC001083087341 1201383646 /nfs/dbraw/zinc/38/36/46/1201383646.db2.gz DFPUYMFKVVAEQF-XWTMOSNGSA-N 2 2 378.517 0.249 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N4CCCCC4)C[C@@H]32)CC[N@@H+]1C ZINC001083085895 1201383745 /nfs/dbraw/zinc/38/37/45/1201383745.db2.gz RXOWXINVUBBCSC-ZJPYXAASSA-N 2 2 378.517 0.251 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N4CCCCC4)C[C@@H]32)CC[N@H+]1C ZINC001083085895 1201383757 /nfs/dbraw/zinc/38/37/57/1201383757.db2.gz RXOWXINVUBBCSC-ZJPYXAASSA-N 2 2 378.517 0.251 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@@H]32)CC[NH+]1C ZINC001083085895 1201383763 /nfs/dbraw/zinc/38/37/63/1201383763.db2.gz RXOWXINVUBBCSC-ZJPYXAASSA-N 2 2 378.517 0.251 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@@H]32)CC[NH+]1C ZINC001083085895 1201383771 /nfs/dbraw/zinc/38/37/71/1201383771.db2.gz RXOWXINVUBBCSC-ZJPYXAASSA-N 2 2 378.517 0.251 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCO[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC001083151165 1201392699 /nfs/dbraw/zinc/39/26/99/1201392699.db2.gz LVPVNONZKANCDE-FUMNGEBKSA-N 2 2 393.528 0.578 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCO[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001083151165 1201392703 /nfs/dbraw/zinc/39/27/03/1201392703.db2.gz LVPVNONZKANCDE-FUMNGEBKSA-N 2 2 393.528 0.578 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)O1 ZINC001084446911 1201413573 /nfs/dbraw/zinc/41/35/73/1201413573.db2.gz WMHRHYXSJHRRJF-UTRMSSBJSA-N 2 2 386.496 0.537 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)O1 ZINC001084446911 1201413575 /nfs/dbraw/zinc/41/35/75/1201413575.db2.gz WMHRHYXSJHRRJF-UTRMSSBJSA-N 2 2 386.496 0.537 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)O1 ZINC001084446911 1201413578 /nfs/dbraw/zinc/41/35/78/1201413578.db2.gz WMHRHYXSJHRRJF-UTRMSSBJSA-N 2 2 386.496 0.537 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)O1 ZINC001084446911 1201413581 /nfs/dbraw/zinc/41/35/81/1201413581.db2.gz WMHRHYXSJHRRJF-UTRMSSBJSA-N 2 2 386.496 0.537 20 0 GCADLP CN(C(=O)CSC(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980225 1201422602 /nfs/dbraw/zinc/42/26/02/1201422602.db2.gz OPJAZMQIFPWXMX-UHFFFAOYSA-N 2 2 396.479 0.936 20 0 GCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCCN(C(N)=O)CC3)cc2)CC1 ZINC000732408512 1201542362 /nfs/dbraw/zinc/54/23/62/1201542362.db2.gz JBPPXGJTGSJLHG-UHFFFAOYSA-N 2 2 388.516 0.853 20 0 GCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCCN(C(N)=O)CC3)cc2)CC1 ZINC000732408512 1201542364 /nfs/dbraw/zinc/54/23/64/1201542364.db2.gz JBPPXGJTGSJLHG-UHFFFAOYSA-N 2 2 388.516 0.853 20 0 GCADLP CN(C(=O)/C=C\C1CCOCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000732659604 1201554176 /nfs/dbraw/zinc/55/41/76/1201554176.db2.gz FCYPWIXSDNRSJJ-ARJAWSKDSA-N 2 2 392.544 0.666 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2CCF)O1 ZINC001085242819 1201647713 /nfs/dbraw/zinc/64/77/13/1201647713.db2.gz IZZHZBFKJWZVGI-KLHDSHLOSA-N 2 2 382.484 0.484 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2CCF)O1 ZINC001085242819 1201647715 /nfs/dbraw/zinc/64/77/15/1201647715.db2.gz IZZHZBFKJWZVGI-KLHDSHLOSA-N 2 2 382.484 0.484 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2noc3c2COCC3)O1 ZINC001085242985 1201648066 /nfs/dbraw/zinc/64/80/66/1201648066.db2.gz PRHWTGFSPDZCKA-NVQRDWNXSA-N 2 2 392.500 0.983 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2noc3c2COCC3)O1 ZINC001085242985 1201648067 /nfs/dbraw/zinc/64/80/67/1201648067.db2.gz PRHWTGFSPDZCKA-NVQRDWNXSA-N 2 2 392.500 0.983 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000734487679 1201653320 /nfs/dbraw/zinc/65/33/20/1201653320.db2.gz ULKNEBCCQXYGQX-QZTJIDSGSA-N 2 2 395.548 0.387 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000734487679 1201653323 /nfs/dbraw/zinc/65/33/23/1201653323.db2.gz ULKNEBCCQXYGQX-QZTJIDSGSA-N 2 2 395.548 0.387 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085338243 1201677172 /nfs/dbraw/zinc/67/71/72/1201677172.db2.gz WCCSWBWQLHMDCP-KBUPBQIOSA-N 2 2 388.472 0.092 20 0 GCADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000738208907 1201735431 /nfs/dbraw/zinc/73/54/31/1201735431.db2.gz LLGFUFRCRROIOC-UHFFFAOYSA-N 2 2 388.468 0.978 20 0 GCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000743978689 1201831825 /nfs/dbraw/zinc/83/18/25/1201831825.db2.gz NBWBJXNYWYVYHJ-KRWDZBQOSA-N 2 2 387.528 0.973 20 0 GCADLP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000743978689 1201831827 /nfs/dbraw/zinc/83/18/27/1201831827.db2.gz NBWBJXNYWYVYHJ-KRWDZBQOSA-N 2 2 387.528 0.973 20 0 GCADLP Cc1noc(C)c1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041460 1201918622 /nfs/dbraw/zinc/91/86/22/1201918622.db2.gz SBSOIACUZSOZEX-UHFFFAOYSA-N 2 2 391.516 0.531 20 0 GCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)c(F)cc1C(=O)N1CCOCC1 ZINC001169071798 1201932144 /nfs/dbraw/zinc/93/21/44/1201932144.db2.gz LNJZRQBCKQCAAV-SNVBAGLBSA-N 2 2 383.811 0.394 20 0 GCADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169163005 1201934066 /nfs/dbraw/zinc/93/40/66/1201934066.db2.gz WLVNFANKQDYMFA-HNNXBMFYSA-N 2 2 378.521 0.924 20 0 GCADLP CC[NH+](CC)CC[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169163007 1201934139 /nfs/dbraw/zinc/93/41/39/1201934139.db2.gz WLVNFANKQDYMFA-OAHLLOKOSA-N 2 2 378.521 0.924 20 0 GCADLP CC[NH+]1CCC(N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CC1 ZINC001169254918 1201941149 /nfs/dbraw/zinc/94/11/49/1201941149.db2.gz KOOCFQDHGGLPTG-UHFFFAOYSA-N 2 2 385.516 0.889 20 0 GCADLP CC(=O)N1CC[C@H]([NH+]2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)C1 ZINC001169546351 1201951497 /nfs/dbraw/zinc/95/14/97/1201951497.db2.gz RZKKLCRVWKIANM-FQEVSTJZSA-N 2 2 392.544 0.642 20 0 GCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001109223275 1202006414 /nfs/dbraw/zinc/00/64/14/1202006414.db2.gz SNBYNBARLXCKBT-WCVJEAGWSA-N 2 2 375.473 0.047 20 0 GCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001109223275 1202006417 /nfs/dbraw/zinc/00/64/17/1202006417.db2.gz SNBYNBARLXCKBT-WCVJEAGWSA-N 2 2 375.473 0.047 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109401722 1202038287 /nfs/dbraw/zinc/03/82/87/1202038287.db2.gz CZTOFEXMFQZVKK-WBTNSWJXSA-N 2 2 379.505 0.284 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109401722 1202038290 /nfs/dbraw/zinc/03/82/90/1202038290.db2.gz CZTOFEXMFQZVKK-WBTNSWJXSA-N 2 2 379.505 0.284 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@H]2CCOC2)CCC1 ZINC001109400676 1202038651 /nfs/dbraw/zinc/03/86/51/1202038651.db2.gz QESUWMYDEHPSEU-NCOADZHNSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@H]2CCOC2)CCC1 ZINC001109400676 1202038655 /nfs/dbraw/zinc/03/86/55/1202038655.db2.gz QESUWMYDEHPSEU-NCOADZHNSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@H]2CCCO2)CCC1 ZINC001109403722 1202038804 /nfs/dbraw/zinc/03/88/04/1202038804.db2.gz UZCATYYITQBAPO-NCOADZHNSA-N 2 2 378.517 0.487 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@H]2CCCO2)CCC1 ZINC001109403722 1202038805 /nfs/dbraw/zinc/03/88/05/1202038805.db2.gz UZCATYYITQBAPO-NCOADZHNSA-N 2 2 378.517 0.487 20 0 GCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109418108 1202041508 /nfs/dbraw/zinc/04/15/08/1202041508.db2.gz XOAJRIMVLOUUEK-WCVJEAGWSA-N 2 2 379.505 0.428 20 0 GCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109418108 1202041511 /nfs/dbraw/zinc/04/15/11/1202041511.db2.gz XOAJRIMVLOUUEK-WCVJEAGWSA-N 2 2 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379.423 0.744 20 0 GCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)CC(F)(F)F ZINC001109847721 1202134957 /nfs/dbraw/zinc/13/49/57/1202134957.db2.gz DLLTVCZIPBTQBB-QPSCCSFWSA-N 2 2 379.423 0.744 20 0 GCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)COCCOCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000771392752 1202139620 /nfs/dbraw/zinc/13/96/20/1202139620.db2.gz AIFNHGLSSGPWDB-FZDBZEDMSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)COCCOCC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000771392752 1202139622 /nfs/dbraw/zinc/13/96/22/1202139622.db2.gz AIFNHGLSSGPWDB-FZDBZEDMSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COCCOCC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000771392752 1202139623 /nfs/dbraw/zinc/13/96/23/1202139623.db2.gz AIFNHGLSSGPWDB-FZDBZEDMSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)COCCOCC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000771392752 1202139625 /nfs/dbraw/zinc/13/96/25/1202139625.db2.gz AIFNHGLSSGPWDB-FZDBZEDMSA-N 2 2 398.548 0.122 20 0 GCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918570 1202148387 /nfs/dbraw/zinc/14/83/87/1202148387.db2.gz PAWDFBUYAHWHJO-PMPSAXMXSA-N 2 2 379.505 0.284 20 0 GCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918570 1202148389 /nfs/dbraw/zinc/14/83/89/1202148389.db2.gz PAWDFBUYAHWHJO-PMPSAXMXSA-N 2 2 379.505 0.284 20 0 GCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)NC[C@H]1CCCO1 ZINC001109981310 1202166674 /nfs/dbraw/zinc/16/66/74/1202166674.db2.gz OJQRERWFNHBTKX-NCOADZHNSA-N 2 2 376.501 0.099 20 0 GCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)NC[C@H]1CCCO1 ZINC001109981310 1202166677 /nfs/dbraw/zinc/16/66/77/1202166677.db2.gz OJQRERWFNHBTKX-NCOADZHNSA-N 2 2 376.501 0.099 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110002741 1202173114 /nfs/dbraw/zinc/17/31/14/1202173114.db2.gz RXBAVHVSLQESTE-BDXSIMOUSA-N 2 2 380.533 0.593 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110002741 1202173115 /nfs/dbraw/zinc/17/31/15/1202173115.db2.gz RXBAVHVSLQESTE-BDXSIMOUSA-N 2 2 380.533 0.593 20 0 GCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110014678 1202175186 /nfs/dbraw/zinc/17/51/86/1202175186.db2.gz CZJQLVXKNPZOQY-OWSLCNJRSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110014678 1202175189 /nfs/dbraw/zinc/17/51/89/1202175189.db2.gz CZJQLVXKNPZOQY-OWSLCNJRSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110014678 1202175192 /nfs/dbraw/zinc/17/51/92/1202175192.db2.gz CZJQLVXKNPZOQY-OWSLCNJRSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110014678 1202175195 /nfs/dbraw/zinc/17/51/95/1202175195.db2.gz CZJQLVXKNPZOQY-OWSLCNJRSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001110021470 1202176012 /nfs/dbraw/zinc/17/60/12/1202176012.db2.gz DUVRYEOERDAWKT-FZKCQIBNSA-N 2 2 381.521 0.672 20 0 GCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001110021470 1202176016 /nfs/dbraw/zinc/17/60/16/1202176016.db2.gz DUVRYEOERDAWKT-FZKCQIBNSA-N 2 2 381.521 0.672 20 0 GCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001110021470 1202176018 /nfs/dbraw/zinc/17/60/18/1202176018.db2.gz DUVRYEOERDAWKT-FZKCQIBNSA-N 2 2 381.521 0.672 20 0 GCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001110021470 1202176022 /nfs/dbraw/zinc/17/60/22/1202176022.db2.gz DUVRYEOERDAWKT-FZKCQIBNSA-N 2 2 381.521 0.672 20 0 GCADLP C[NH+](C)CCOCCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000788013941 1205411751 /nfs/dbraw/zinc/41/17/51/1205411751.db2.gz OIQJVJSIGKMMNY-HNNXBMFYSA-N 2 2 387.525 0.415 20 0 GCADLP C[NH+](C)CCOCCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000788013941 1205411753 /nfs/dbraw/zinc/41/17/53/1205411753.db2.gz OIQJVJSIGKMMNY-HNNXBMFYSA-N 2 2 387.525 0.415 20 0 GCADLP CCOC1CC(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000788844275 1205431055 /nfs/dbraw/zinc/43/10/55/1205431055.db2.gz VBHXARJCEGFRDV-UHFFFAOYSA-N 2 2 394.560 0.888 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC001086589263 1205467675 /nfs/dbraw/zinc/46/76/75/1205467675.db2.gz PURHFARXGBQIKX-OQIJWPOYSA-N 2 2 393.553 0.955 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC001086589263 1205467677 /nfs/dbraw/zinc/46/76/77/1205467677.db2.gz PURHFARXGBQIKX-OQIJWPOYSA-N 2 2 393.553 0.955 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001086589263 1205467678 /nfs/dbraw/zinc/46/76/78/1205467678.db2.gz PURHFARXGBQIKX-OQIJWPOYSA-N 2 2 393.553 0.955 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001086589263 1205467680 /nfs/dbraw/zinc/46/76/80/1205467680.db2.gz PURHFARXGBQIKX-OQIJWPOYSA-N 2 2 393.553 0.955 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000793729576 1205505318 /nfs/dbraw/zinc/50/53/18/1205505318.db2.gz XXYUNZGNGCFPBZ-HOTGVXAUSA-N 2 2 382.505 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000793729576 1205505320 /nfs/dbraw/zinc/50/53/20/1205505320.db2.gz XXYUNZGNGCFPBZ-HOTGVXAUSA-N 2 2 382.505 0.073 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000793738017 1205505481 /nfs/dbraw/zinc/50/54/81/1205505481.db2.gz MUHOHKUMWCNXQU-KRWDZBQOSA-N 3 2 393.576 0.650 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000793738017 1205505483 /nfs/dbraw/zinc/50/54/83/1205505483.db2.gz MUHOHKUMWCNXQU-KRWDZBQOSA-N 3 2 393.576 0.650 20 0 GCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793865349 1205508014 /nfs/dbraw/zinc/50/80/14/1205508014.db2.gz KUFNGDDALGEFOY-HOTGVXAUSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793865349 1205508016 /nfs/dbraw/zinc/50/80/16/1205508016.db2.gz KUFNGDDALGEFOY-HOTGVXAUSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793865349 1205508017 /nfs/dbraw/zinc/50/80/17/1205508017.db2.gz KUFNGDDALGEFOY-HOTGVXAUSA-N 2 2 392.525 0.202 20 0 GCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793865349 1205508019 /nfs/dbraw/zinc/50/80/19/1205508019.db2.gz KUFNGDDALGEFOY-HOTGVXAUSA-N 2 2 392.525 0.202 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794398512 1205514119 /nfs/dbraw/zinc/51/41/19/1205514119.db2.gz CPDABCXNLIPWOY-HOTGVXAUSA-N 2 2 384.521 0.501 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794398512 1205514120 /nfs/dbraw/zinc/51/41/20/1205514120.db2.gz CPDABCXNLIPWOY-HOTGVXAUSA-N 2 2 384.521 0.501 20 0 GCADLP CCN(CCc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806209772 1205551510 /nfs/dbraw/zinc/55/15/10/1205551510.db2.gz BAPZHBYTOXSSCT-SFHVURJKSA-N 2 2 387.528 0.757 20 0 GCADLP CCN(CCc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806209772 1205551511 /nfs/dbraw/zinc/55/15/11/1205551511.db2.gz BAPZHBYTOXSSCT-SFHVURJKSA-N 2 2 387.528 0.757 20 0 GCADLP Cc1ncc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000806211863 1205551634 /nfs/dbraw/zinc/55/16/34/1205551634.db2.gz ONMQJNFWUJAXMO-CQSZACIVSA-N 2 2 379.530 0.395 20 0 GCADLP Cc1ncc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000806211863 1205551636 /nfs/dbraw/zinc/55/16/36/1205551636.db2.gz ONMQJNFWUJAXMO-CQSZACIVSA-N 2 2 379.530 0.395 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC1(C)OCCO1 ZINC000806210744 1205551728 /nfs/dbraw/zinc/55/17/28/1205551728.db2.gz ZBQNIRFMXLDSEO-CVEARBPZSA-N 2 2 396.532 0.177 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC1(C)OCCO1 ZINC000806210744 1205551729 /nfs/dbraw/zinc/55/17/29/1205551729.db2.gz ZBQNIRFMXLDSEO-CVEARBPZSA-N 2 2 396.532 0.177 20 0 GCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103131 1205608043 /nfs/dbraw/zinc/60/80/43/1205608043.db2.gz GBNMBOMKVCTTFF-FZKCQIBNSA-N 2 2 379.505 0.426 20 0 GCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103131 1205608044 /nfs/dbraw/zinc/60/80/44/1205608044.db2.gz GBNMBOMKVCTTFF-FZKCQIBNSA-N 2 2 379.505 0.426 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955224 1205632089 /nfs/dbraw/zinc/63/20/89/1205632089.db2.gz STFFVZVDCLLHRH-BEFAXECRSA-N 2 2 384.521 0.501 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955224 1205632090 /nfs/dbraw/zinc/63/20/90/1205632090.db2.gz STFFVZVDCLLHRH-BEFAXECRSA-N 2 2 384.521 0.501 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810068992 1205633929 /nfs/dbraw/zinc/63/39/29/1205633929.db2.gz DHGQTCCVMLJQKZ-UONOGXRCSA-N 2 2 378.439 0.930 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810068992 1205633930 /nfs/dbraw/zinc/63/39/30/1205633930.db2.gz DHGQTCCVMLJQKZ-UONOGXRCSA-N 2 2 378.439 0.930 20 0 GCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(=O)n4[nH]ccc4n3)C2)CC[N@@H+]1C ZINC001086699696 1205659738 /nfs/dbraw/zinc/65/97/38/1205659738.db2.gz ASLNOKBFHJUYPP-JYYAWHABSA-N 2 2 386.500 0.737 20 0 GCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(=O)n4[nH]ccc4n3)C2)CC[N@H+]1C ZINC001086699696 1205659740 /nfs/dbraw/zinc/65/97/40/1205659740.db2.gz ASLNOKBFHJUYPP-JYYAWHABSA-N 2 2 386.500 0.737 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110103487 1205679989 /nfs/dbraw/zinc/67/99/89/1205679989.db2.gz XDDCLQSTHMYLHO-NCOADZHNSA-N 2 2 375.473 0.208 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110103487 1205679990 /nfs/dbraw/zinc/67/99/90/1205679990.db2.gz XDDCLQSTHMYLHO-NCOADZHNSA-N 2 2 375.473 0.208 20 0 GCADLP CCN1CC[C@H]([N@@H+]2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)CC1=O ZINC001172037305 1205712182 /nfs/dbraw/zinc/71/21/82/1205712182.db2.gz OSXVGPNLSKFTJF-WMZOPIPTSA-N 2 2 390.532 0.838 20 0 GCADLP CCN1CC[C@H]([N@H+]2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)CC1=O ZINC001172037305 1205712184 /nfs/dbraw/zinc/71/21/84/1205712184.db2.gz OSXVGPNLSKFTJF-WMZOPIPTSA-N 2 2 390.532 0.838 20 0 GCADLP COCCC[NH+]1CCC([NH+]2CCC3(CC2)C(=O)N(CCOC)CCN3C)CC1 ZINC001172250712 1205715338 /nfs/dbraw/zinc/71/53/38/1205715338.db2.gz FXGVRXNYVPMJQM-UHFFFAOYSA-N 2 2 396.576 0.742 20 0 GCADLP COC(=O)[C@@H]1CCC[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001172612061 1205716522 /nfs/dbraw/zinc/71/65/22/1205716522.db2.gz RBBWGTKBTQESGV-VDERGJSUSA-N 2 2 391.472 0.134 20 0 GCADLP CC(C)N(C(=O)Cc1c[nH]c[nH+]1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001176828988 1205755842 /nfs/dbraw/zinc/75/58/42/1205755842.db2.gz IKXWHONINUPBJG-UHFFFAOYSA-N 2 2 399.499 0.709 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCn3cccc3)CC2)C1=O ZINC001176935058 1205758271 /nfs/dbraw/zinc/75/82/71/1205758271.db2.gz UWMUHKYHZUQDGW-UHFFFAOYSA-N 2 2 375.517 0.575 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCn3cccc3)CC2)C1=O ZINC001176935058 1205758272 /nfs/dbraw/zinc/75/82/72/1205758272.db2.gz UWMUHKYHZUQDGW-UHFFFAOYSA-N 2 2 375.517 0.575 20 0 GCADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177083387 1205760593 /nfs/dbraw/zinc/76/05/93/1205760593.db2.gz BNSUSOZJIVIAKI-LSDHHAIUSA-N 2 2 381.477 0.635 20 0 GCADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177083387 1205760595 /nfs/dbraw/zinc/76/05/95/1205760595.db2.gz BNSUSOZJIVIAKI-LSDHHAIUSA-N 2 2 381.477 0.635 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3cncc(F)c3)CC2)C1=O ZINC001177383899 1205768014 /nfs/dbraw/zinc/76/80/14/1205768014.db2.gz LEOHYBKQEDWMOH-UHFFFAOYSA-N 2 2 391.491 0.460 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3cncc(F)c3)CC2)C1=O ZINC001177383899 1205768017 /nfs/dbraw/zinc/76/80/17/1205768017.db2.gz LEOHYBKQEDWMOH-UHFFFAOYSA-N 2 2 391.491 0.460 20 0 GCADLP CN(CC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)c1cccc[nH+]1 ZINC001177410277 1205769730 /nfs/dbraw/zinc/76/97/30/1205769730.db2.gz JRAZAJYHADUXRJ-UHFFFAOYSA-N 2 2 386.456 0.382 20 0 GCADLP NC(=O)COc1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001177565476 1205772183 /nfs/dbraw/zinc/77/21/83/1205772183.db2.gz CBLOUDIGNFCVOU-UHFFFAOYSA-N 2 2 397.479 0.774 20 0 GCADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC001177735859 1205775592 /nfs/dbraw/zinc/77/55/92/1205775592.db2.gz VRPCLZGPUMYPSH-KRWDZBQOSA-N 2 2 382.574 0.826 20 0 GCADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC001177735859 1205775593 /nfs/dbraw/zinc/77/55/93/1205775593.db2.gz VRPCLZGPUMYPSH-KRWDZBQOSA-N 2 2 382.574 0.826 20 0 GCADLP C[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)c1cccnc1 ZINC001177785880 1205776847 /nfs/dbraw/zinc/77/68/47/1205776847.db2.gz CVJYPRNZQLKKNC-QGZVFWFLSA-N 2 2 387.528 0.882 20 0 GCADLP C[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)c1cccnc1 ZINC001177785880 1205776848 /nfs/dbraw/zinc/77/68/48/1205776848.db2.gz CVJYPRNZQLKKNC-QGZVFWFLSA-N 2 2 387.528 0.882 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)C1=O ZINC001179311627 1205808079 /nfs/dbraw/zinc/80/80/79/1205808079.db2.gz CTTNSIMQESESRM-KRWDZBQOSA-N 2 2 392.544 0.500 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)C1=O ZINC001179311627 1205808081 /nfs/dbraw/zinc/80/80/81/1205808081.db2.gz CTTNSIMQESESRM-KRWDZBQOSA-N 2 2 392.544 0.500 20 0 GCADLP CC[NH+](CC)CC(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001180386715 1205823349 /nfs/dbraw/zinc/82/33/49/1205823349.db2.gz AOWGPAOOLJTKIP-KRWDZBQOSA-N 2 2 393.532 0.537 20 0 GCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC001180410581 1205825124 /nfs/dbraw/zinc/82/51/24/1205825124.db2.gz RPSBOUIQPHWDSI-NZSAHSFTSA-N 2 2 389.496 0.745 20 0 GCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC001180410581 1205825126 /nfs/dbraw/zinc/82/51/26/1205825126.db2.gz RPSBOUIQPHWDSI-NZSAHSFTSA-N 2 2 389.496 0.745 20 0 GCADLP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001180410581 1205825129 /nfs/dbraw/zinc/82/51/29/1205825129.db2.gz RPSBOUIQPHWDSI-NZSAHSFTSA-N 2 2 389.496 0.745 20 0 GCADLP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001180410581 1205825130 /nfs/dbraw/zinc/82/51/30/1205825130.db2.gz RPSBOUIQPHWDSI-NZSAHSFTSA-N 2 2 389.496 0.745 20 0 GCADLP NC(=O)C1CC[NH+](CCC(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001180608585 1205828356 /nfs/dbraw/zinc/82/83/56/1205828356.db2.gz FGPPDYAWRHHEIA-UHFFFAOYSA-N 2 2 386.456 0.392 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)C1 ZINC001180760257 1205831523 /nfs/dbraw/zinc/83/15/23/1205831523.db2.gz SFPZXFHHGTVEQP-GOSISDBHSA-N 2 2 396.495 0.697 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)C1 ZINC001180760257 1205831525 /nfs/dbraw/zinc/83/15/25/1205831525.db2.gz SFPZXFHHGTVEQP-GOSISDBHSA-N 2 2 396.495 0.697 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCCC[C@H]3O)CC2)C1=O ZINC001181088880 1205838514 /nfs/dbraw/zinc/83/85/14/1205838514.db2.gz XDVYXPOFJYMFGQ-DLBZAZTESA-N 2 2 380.533 0.234 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCCC[C@H]3O)CC2)C1=O ZINC001181088880 1205838516 /nfs/dbraw/zinc/83/85/16/1205838516.db2.gz XDVYXPOFJYMFGQ-DLBZAZTESA-N 2 2 380.533 0.234 20 0 GCADLP COC1CC(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC001181221839 1205840938 /nfs/dbraw/zinc/84/09/38/1205840938.db2.gz BSEAQKWVAVYSLM-KLAILNCOSA-N 2 2 375.517 0.848 20 0 GCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(C1)COCC[NH+](CC(=O)NC)C2 ZINC001181991545 1205852944 /nfs/dbraw/zinc/85/29/44/1205852944.db2.gz ALAYOTWEDQZRQT-FXAWDEMLSA-N 2 2 380.533 0.548 20 0 GCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(C1)COCC[NH+](CC(=O)NC)C2 ZINC001181991545 1205852946 /nfs/dbraw/zinc/85/29/46/1205852946.db2.gz ALAYOTWEDQZRQT-FXAWDEMLSA-N 2 2 380.533 0.548 20 0 GCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001181991545 1205852951 /nfs/dbraw/zinc/85/29/51/1205852951.db2.gz ALAYOTWEDQZRQT-FXAWDEMLSA-N 2 2 380.533 0.548 20 0 GCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001181991545 1205852953 /nfs/dbraw/zinc/85/29/53/1205852953.db2.gz ALAYOTWEDQZRQT-FXAWDEMLSA-N 2 2 380.533 0.548 20 0 GCADLP C[NH+]1CCC(O)(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)CC1 ZINC001182030478 1205853781 /nfs/dbraw/zinc/85/37/81/1205853781.db2.gz DERXJQAJPIJGJG-INIZCTEOSA-N 2 2 385.468 0.772 20 0 GCADLP COC(=O)CC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001182610523 1205877950 /nfs/dbraw/zinc/87/79/50/1205877950.db2.gz JLIJPDSEKRQCKJ-UHFFFAOYSA-N 2 2 396.532 0.273 20 0 GCADLP COC(=O)CC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001182610523 1205877951 /nfs/dbraw/zinc/87/79/51/1205877951.db2.gz JLIJPDSEKRQCKJ-UHFFFAOYSA-N 2 2 396.532 0.273 20 0 GCADLP CC(C)C[C@@](C)(O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001183966642 1205903513 /nfs/dbraw/zinc/90/35/13/1205903513.db2.gz KPMGJRZTDBJPGB-LJQANCHMSA-N 2 2 382.549 0.480 20 0 GCADLP CC(C)C[C@@](C)(O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001183966642 1205903514 /nfs/dbraw/zinc/90/35/14/1205903514.db2.gz KPMGJRZTDBJPGB-LJQANCHMSA-N 2 2 382.549 0.480 20 0 GCADLP CCOC(=O)C1=C(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)NC(=O)N[C@H]1C ZINC000774732680 1205906862 /nfs/dbraw/zinc/90/68/62/1205906862.db2.gz YDAUKSVPKZZJIL-AWEZNQCLSA-N 2 2 381.521 0.463 20 0 GCADLP CCOC(=O)C1=C(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)NC(=O)N[C@H]1C ZINC000774732680 1205906864 /nfs/dbraw/zinc/90/68/64/1205906864.db2.gz YDAUKSVPKZZJIL-AWEZNQCLSA-N 2 2 381.521 0.463 20 0 GCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001186038178 1205933596 /nfs/dbraw/zinc/93/35/96/1205933596.db2.gz NPHJOWHGBNJKLW-OAHLLOKOSA-N 2 2 386.500 0.285 20 0 GCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001186038178 1205933597 /nfs/dbraw/zinc/93/35/97/1205933597.db2.gz NPHJOWHGBNJKLW-OAHLLOKOSA-N 2 2 386.500 0.285 20 0 GCADLP Cc1ccc(N(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001186039286 1205933607 /nfs/dbraw/zinc/93/36/07/1205933607.db2.gz WWBFFDYGXAEFTH-BXWFABGCSA-N 2 2 375.473 0.096 20 0 GCADLP Cc1ccc(N(C(=O)C[N@H+]2CC[C@H](O)C2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001186039286 1205933608 /nfs/dbraw/zinc/93/36/08/1205933608.db2.gz WWBFFDYGXAEFTH-BXWFABGCSA-N 2 2 375.473 0.096 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)NCC(F)(F)F)CC2)C1=O ZINC001187067314 1205954583 /nfs/dbraw/zinc/95/45/83/1205954583.db2.gz BAQHRDGHKGVYBH-UHFFFAOYSA-N 2 2 379.427 0.429 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)NCC(F)(F)F)CC2)C1=O ZINC001187067314 1205954584 /nfs/dbraw/zinc/95/45/84/1205954584.db2.gz BAQHRDGHKGVYBH-UHFFFAOYSA-N 2 2 379.427 0.429 20 0 GCADLP Cc1nnsc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001187876403 1205971100 /nfs/dbraw/zinc/97/11/00/1205971100.db2.gz HFXXNMQGKCOPGE-UHFFFAOYSA-N 2 2 380.518 0.157 20 0 GCADLP Cc1nnsc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001187876403 1205971101 /nfs/dbraw/zinc/97/11/01/1205971101.db2.gz HFXXNMQGKCOPGE-UHFFFAOYSA-N 2 2 380.518 0.157 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]32)CC[N@@H+]1C ZINC001187958005 1205972065 /nfs/dbraw/zinc/97/20/65/1205972065.db2.gz DCRDIWBUJFMRRI-LXTVHRRPSA-N 2 2 390.450 0.880 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]32)CC[N@H+]1C ZINC001187958005 1205972067 /nfs/dbraw/zinc/97/20/67/1205972067.db2.gz DCRDIWBUJFMRRI-LXTVHRRPSA-N 2 2 390.450 0.880 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]32)CC[NH+]1C ZINC001187958005 1205972070 /nfs/dbraw/zinc/97/20/70/1205972070.db2.gz DCRDIWBUJFMRRI-LXTVHRRPSA-N 2 2 390.450 0.880 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]32)CC[NH+]1C ZINC001187958005 1205972072 /nfs/dbraw/zinc/97/20/72/1205972072.db2.gz DCRDIWBUJFMRRI-LXTVHRRPSA-N 2 2 390.450 0.880 20 0 GCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001187951362 1205972350 /nfs/dbraw/zinc/97/23/50/1205972350.db2.gz CGRRWQJEFILHTN-FCGDIQPGSA-N 2 2 388.512 0.696 20 0 GCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001187951362 1205972352 /nfs/dbraw/zinc/97/23/52/1205972352.db2.gz CGRRWQJEFILHTN-FCGDIQPGSA-N 2 2 388.512 0.696 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cccc(F)n3)CC2)C1=O ZINC001188714469 1205990239 /nfs/dbraw/zinc/99/02/39/1205990239.db2.gz SQLRVLIRJWTTPP-UHFFFAOYSA-N 2 2 377.464 0.531 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cccc(F)n3)CC2)C1=O ZINC001188714469 1205990241 /nfs/dbraw/zinc/99/02/41/1205990241.db2.gz SQLRVLIRJWTTPP-UHFFFAOYSA-N 2 2 377.464 0.531 20 0 GCADLP Cc1nc(N)sc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001189282217 1206001319 /nfs/dbraw/zinc/00/13/19/1206001319.db2.gz GSOVOALYUZILQF-UHFFFAOYSA-N 2 2 394.545 0.344 20 0 GCADLP Cc1nc(N)sc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001189282217 1206001323 /nfs/dbraw/zinc/00/13/23/1206001323.db2.gz GSOVOALYUZILQF-UHFFFAOYSA-N 2 2 394.545 0.344 20 0 GCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001164633143 719161470 /nfs/dbraw/zinc/16/14/70/719161470.db2.gz GUFTTWLYNJYDIR-GJZGRUSLSA-N 2 2 377.493 0.074 20 0 GCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001164633143 719161475 /nfs/dbraw/zinc/16/14/75/719161475.db2.gz GUFTTWLYNJYDIR-GJZGRUSLSA-N 2 2 377.493 0.074 20 0 GCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CC[NH2+]CC2 ZINC001164697348 719838780 /nfs/dbraw/zinc/83/87/80/719838780.db2.gz CSHBFCYBOJXULW-FOIQADDNSA-N 2 2 389.500 0.398 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CC[NH2+]CC2 ZINC001164697351 719838802 /nfs/dbraw/zinc/83/88/02/719838802.db2.gz CSHBFCYBOJXULW-QRWLVFNGSA-N 2 2 389.500 0.398 20 0 GCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CC[NH2+]C2 ZINC001164707160 719846194 /nfs/dbraw/zinc/84/61/94/719846194.db2.gz ZSDFYZYSZQFXHB-AUUYWEPGSA-N 2 2 375.473 0.355 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)C4CCC4)[C@H]4COC[C@H]43)[nH+]2)CC1 ZINC001164846217 720802392 /nfs/dbraw/zinc/80/23/92/720802392.db2.gz IOYYVJGYUPXMPU-FGTMMUONSA-N 2 2 385.512 0.953 20 0 GCADLP C[NH+]1CCN(c2ccc(N3CCc4[nH+]cc(Cn5cccn5)n4CC3)nn2)CC1 ZINC001164861175 721031374 /nfs/dbraw/zinc/03/13/74/721031374.db2.gz DYBQXBOQOMVXEZ-UHFFFAOYSA-N 2 2 393.499 0.732 20 0 GCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3[nH+]cnc4c3ccn4C)CC2)C1 ZINC001164869316 721265436 /nfs/dbraw/zinc/26/54/36/721265436.db2.gz JQCNYWGJQGXTGK-UHFFFAOYSA-N 2 2 386.500 0.975 20 0 GCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+]cnc4c3ccn4C)CC2)C1 ZINC001164869316 721265440 /nfs/dbraw/zinc/26/54/40/721265440.db2.gz JQCNYWGJQGXTGK-UHFFFAOYSA-N 2 2 386.500 0.975 20 0 GCADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ncc5c(n4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164912866 721773723 /nfs/dbraw/zinc/77/37/23/721773723.db2.gz RCHBRQHXFGOTAO-OAQYLSRUSA-N 2 2 396.495 0.625 20 0 GCADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ncc5c(n4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164912866 721773725 /nfs/dbraw/zinc/77/37/25/721773725.db2.gz RCHBRQHXFGOTAO-OAQYLSRUSA-N 2 2 396.495 0.625 20 0 GCADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cc5c(nn4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164916625 721789811 /nfs/dbraw/zinc/78/98/11/721789811.db2.gz RETJAYHVTMYGDK-NRFANRHFSA-N 2 2 396.495 0.625 20 0 GCADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cc5c(nn4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164916625 721789814 /nfs/dbraw/zinc/78/98/14/721789814.db2.gz RETJAYHVTMYGDK-NRFANRHFSA-N 2 2 396.495 0.625 20 0 GCADLP Cn1cc(N2C[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3C2=O)cn1 ZINC001164980235 722095052 /nfs/dbraw/zinc/09/50/52/722095052.db2.gz LTKKJZDVFQSHIP-WBVHZDCISA-N 2 2 381.484 0.666 20 0 GCADLP O=C(NC[C@H]1CC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F)C12CC[NH+](CC1)C2 ZINC001571260423 945414143 /nfs/dbraw/zinc/41/41/43/945414143.db2.gz SGLBZMPOUCCMEQ-OAHLLOKOSA-N 2 2 385.447 0.792 20 0 GCADLP O=C(NC[C@H]1CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F)C12CC[NH+](CC1)C2 ZINC001571260423 945414150 /nfs/dbraw/zinc/41/41/50/945414150.db2.gz SGLBZMPOUCCMEQ-OAHLLOKOSA-N 2 2 385.447 0.792 20 0 GCADLP C[NH+](C)C1(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)Cc2ccccc2C1 ZINC000821581513 945722941 /nfs/dbraw/zinc/72/29/41/945722941.db2.gz NQINCVRASOYXLH-AWEZNQCLSA-N 2 2 393.499 0.794 20 0 GCADLP Cn1cc(-c2nn[nH]n2)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000821621769 945750772 /nfs/dbraw/zinc/75/07/72/945750772.db2.gz FYAQMRZAHQZYDD-UHFFFAOYSA-N 2 2 386.504 0.885 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571293288 946101734 /nfs/dbraw/zinc/10/17/34/946101734.db2.gz DHRJUDSECIINTN-CZUORRHYSA-N 2 2 389.435 0.027 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571293288 946101737 /nfs/dbraw/zinc/10/17/37/946101737.db2.gz DHRJUDSECIINTN-CZUORRHYSA-N 2 2 389.435 0.027 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571293982 946123708 /nfs/dbraw/zinc/12/37/08/946123708.db2.gz XKKUFAYFCQEBMZ-HOCLYGCPSA-N 2 2 389.435 0.027 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571293982 946123714 /nfs/dbraw/zinc/12/37/14/946123714.db2.gz XKKUFAYFCQEBMZ-HOCLYGCPSA-N 2 2 389.435 0.027 20 0 GCADLP O=C(NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001571316897 946592365 /nfs/dbraw/zinc/59/23/65/946592365.db2.gz PHTOAAJOBNVHPV-KRWDZBQOSA-N 2 2 392.467 0.874 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824412674 946693507 /nfs/dbraw/zinc/69/35/07/946693507.db2.gz DJIBOOBSZXIEJA-INIZCTEOSA-N 2 2 399.499 0.479 20 0 GCADLP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711450 949535932 /nfs/dbraw/zinc/53/59/32/949535932.db2.gz HJNKIFLGEVRDPV-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711450 949535938 /nfs/dbraw/zinc/53/59/38/949535938.db2.gz HJNKIFLGEVRDPV-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574471433 949537275 /nfs/dbraw/zinc/53/72/75/949537275.db2.gz MTXUUOJYSHPZAL-HSBZDZAISA-N 2 2 381.444 0.933 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574958240 949661440 /nfs/dbraw/zinc/66/14/40/949661440.db2.gz HKEBZEJKIHEMNU-YNEHKIRRSA-N 2 2 381.444 0.385 20 0 GCADLP C[C@@H](CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cc[nH+]c1 ZINC001574490417 949997308 /nfs/dbraw/zinc/99/73/08/949997308.db2.gz RGNONSIAINFISQ-BLLLJJGKSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575901680 950237369 /nfs/dbraw/zinc/23/73/69/950237369.db2.gz PSRVZXZGJPAGLB-MLGOLLRUSA-N 2 2 384.419 0.982 20 0 GCADLP C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574499740 950305584 /nfs/dbraw/zinc/30/55/84/950305584.db2.gz WQIHAGZLRQGXBM-HIFRSBDPSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575908435 950363723 /nfs/dbraw/zinc/36/37/23/950363723.db2.gz BZRRKPOYZLOGTQ-GUYCJALGSA-N 2 2 380.456 0.922 20 0 GCADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575908431 950364176 /nfs/dbraw/zinc/36/41/76/950364176.db2.gz BZRRKPOYZLOGTQ-CXAGYDPISA-N 2 2 380.456 0.922 20 0 GCADLP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576197421 950389527 /nfs/dbraw/zinc/38/95/27/950389527.db2.gz NJKPJAXIPYRTMN-WMLDXEAASA-N 2 2 384.488 0.674 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001576204924 950483328 /nfs/dbraw/zinc/48/33/28/950483328.db2.gz DQRFVSXJMQQLMT-DARAHFNDSA-N 2 2 382.472 0.402 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001576204924 950483354 /nfs/dbraw/zinc/48/33/54/950483354.db2.gz DQRFVSXJMQQLMT-DARAHFNDSA-N 2 2 382.472 0.402 20 0 GCADLP CC1CC[NH+](CC(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576205217 950504072 /nfs/dbraw/zinc/50/40/72/950504072.db2.gz HIJYFTYZCCSOMC-UHFFFAOYSA-N 2 2 384.488 0.722 20 0 GCADLP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576206043 950552326 /nfs/dbraw/zinc/55/23/26/950552326.db2.gz TVVBNLHALKGDSM-QGZVFWFLSA-N 2 2 386.504 0.968 20 0 GCADLP C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)n1cc[nH+]c1 ZINC001574518747 950658759 /nfs/dbraw/zinc/65/87/59/950658759.db2.gz QUFZAYXRVPSZDB-CVGURMSBSA-N 2 2 379.428 0.660 20 0 GCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575079923 951699165 /nfs/dbraw/zinc/69/91/65/951699165.db2.gz SXTRVXCAPXEMQG-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575079923 951699171 /nfs/dbraw/zinc/69/91/71/951699171.db2.gz SXTRVXCAPXEMQG-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575089472 951748493 /nfs/dbraw/zinc/74/84/93/951748493.db2.gz GDLIGIULQWYTBT-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575089472 951748502 /nfs/dbraw/zinc/74/85/02/951748502.db2.gz GDLIGIULQWYTBT-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575092199 951791275 /nfs/dbraw/zinc/79/12/75/951791275.db2.gz YZPLKAKRLBXFST-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575092199 951791283 /nfs/dbraw/zinc/79/12/83/951791283.db2.gz YZPLKAKRLBXFST-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571142740 952646395 /nfs/dbraw/zinc/64/63/95/952646395.db2.gz XDLAJVLPZXKXDI-IAGOWNOFSA-N 2 2 378.440 0.796 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571142740 952646397 /nfs/dbraw/zinc/64/63/97/952646397.db2.gz XDLAJVLPZXKXDI-IAGOWNOFSA-N 2 2 378.440 0.796 20 0 GCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571172064 952801129 /nfs/dbraw/zinc/80/11/29/952801129.db2.gz LKSNCOSKHCYMOH-INIZCTEOSA-N 2 2 380.456 0.924 20 0 GCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571172065 952801324 /nfs/dbraw/zinc/80/13/24/952801324.db2.gz LKSNCOSKHCYMOH-MRXNPFEDSA-N 2 2 380.456 0.924 20 0 GCADLP Cc1cc(N2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187806 952910264 /nfs/dbraw/zinc/91/02/64/952910264.db2.gz CEGCJCLWMGUHAP-ZDUSSCGKSA-N 2 2 381.444 0.583 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571188206 952913692 /nfs/dbraw/zinc/91/36/92/952913692.db2.gz IDOHIEORJILFMW-UHFFFAOYSA-N 2 2 381.444 0.600 20 0 GCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571189268 952928150 /nfs/dbraw/zinc/92/81/50/952928150.db2.gz UHADHKYYQXOPDT-ZDUSSCGKSA-N 2 2 381.444 0.669 20 0 GCADLP Cc1cc(N(C)C2CCN(C(=O)Cn3cc[nH+]c3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189492 952929219 /nfs/dbraw/zinc/92/92/19/952929219.db2.gz VYEREJJWOMBONL-UHFFFAOYSA-N 2 2 381.444 0.894 20 0 GCADLP Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189499 952930881 /nfs/dbraw/zinc/93/08/81/952930881.db2.gz WETQWESMWSPAFD-JSGCOSHPSA-N 2 2 381.444 0.655 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571189658 952932248 /nfs/dbraw/zinc/93/22/48/952932248.db2.gz ZQPWZGWZASWIGP-AWEZNQCLSA-N 2 2 381.444 0.600 20 0 GCADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571241673 953248910 /nfs/dbraw/zinc/24/89/10/953248910.db2.gz HWOFQDVVOZILLS-UHFFFAOYSA-N 2 2 384.419 0.887 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571241988 953252370 /nfs/dbraw/zinc/25/23/70/953252370.db2.gz RWVLHSRZGBMJHZ-CQSZACIVSA-N 2 2 384.419 0.673 20 0 GCADLP CC[C@H](C(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)[NH+](C)C ZINC001571251042 953314183 /nfs/dbraw/zinc/31/41/83/953314183.db2.gz VGTYWISBTHRBPN-IJEWVQPXSA-N 2 2 384.488 0.887 20 0 GCADLP C[C@H](C(=O)NCCCNC(=O)[C@H](C)[NH+]1CCSCC1)[NH+]1CCSCC1 ZINC000557648443 530198682 /nfs/dbraw/zinc/19/86/82/530198682.db2.gz WWPKLWSEFCZQRP-GASCZTMLSA-N 2 2 388.603 0.484 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707503 530241790 /nfs/dbraw/zinc/24/17/90/530241790.db2.gz BGNNBRUZVNLZPE-GZBFAFLISA-N 2 2 393.285 0.946 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707503 530241791 /nfs/dbraw/zinc/24/17/91/530241791.db2.gz BGNNBRUZVNLZPE-GZBFAFLISA-N 2 2 393.285 0.946 20 0 GCADLP NC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000269689527 530245270 /nfs/dbraw/zinc/24/52/70/530245270.db2.gz JWEJWSVYSIBIAD-AWEZNQCLSA-N 2 2 383.290 0.732 20 0 GCADLP C[NH+](CCS(C)(=O)=O)Cc1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000076308104 530218292 /nfs/dbraw/zinc/21/82/92/530218292.db2.gz KSVZNWFWLZTNCK-UHFFFAOYSA-N 2 2 376.544 0.639 20 0 GCADLP C[NH+](CCS(C)(=O)=O)Cc1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000076308104 530218293 /nfs/dbraw/zinc/21/82/93/530218293.db2.gz KSVZNWFWLZTNCK-UHFFFAOYSA-N 2 2 376.544 0.639 20 0 GCADLP C[N@H+]1CCN(C(=O)COc2cccc(I)c2)[C@@H](C[NH3+])C1 ZINC000570799500 530325262 /nfs/dbraw/zinc/32/52/62/530325262.db2.gz RIRTUTSMGIBVFH-LBPRGKRZSA-N 2 2 389.237 0.771 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132901 530368023 /nfs/dbraw/zinc/36/80/23/530368023.db2.gz BTOATMMTWOBWGB-CHWSQXEVSA-N 2 2 392.257 0.201 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132901 530368025 /nfs/dbraw/zinc/36/80/25/530368025.db2.gz BTOATMMTWOBWGB-CHWSQXEVSA-N 2 2 392.257 0.201 20 0 GCADLP C[N@@H+]1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)[C@H](C[NH3+])C1 ZINC000162489612 530333738 /nfs/dbraw/zinc/33/37/38/530333738.db2.gz PGPBLJAMZWINES-GFCCVEGCSA-N 2 2 397.273 0.276 20 0 GCADLP C[N@H+]1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)[C@H](C[NH3+])C1 ZINC000162489612 530333740 /nfs/dbraw/zinc/33/37/40/530333740.db2.gz PGPBLJAMZWINES-GFCCVEGCSA-N 2 2 397.273 0.276 20 0 GCADLP C[N@@H+]1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)[C@@H](C[NH3+])C1 ZINC000162489719 530333884 /nfs/dbraw/zinc/33/38/84/530333884.db2.gz PGPBLJAMZWINES-LBPRGKRZSA-N 2 2 397.273 0.276 20 0 GCADLP C[N@H+]1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)[C@@H](C[NH3+])C1 ZINC000162489719 530333886 /nfs/dbraw/zinc/33/38/86/530333886.db2.gz PGPBLJAMZWINES-LBPRGKRZSA-N 2 2 397.273 0.276 20 0 GCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000562996535 530346700 /nfs/dbraw/zinc/34/67/00/530346700.db2.gz LLSDWCOUIPPCRJ-NFAWXSAZSA-N 2 2 391.559 0.395 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3cccs3)C2)CC1 ZINC000364209866 530386770 /nfs/dbraw/zinc/38/67/70/530386770.db2.gz XWDHIYMGJVZHJS-ZDUSSCGKSA-N 2 2 386.543 0.311 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3cccs3)C2)CC1 ZINC000364209866 530386771 /nfs/dbraw/zinc/38/67/71/530386771.db2.gz XWDHIYMGJVZHJS-ZDUSSCGKSA-N 2 2 386.543 0.311 20 0 GCADLP C[N@@H+]1CCN(C(=O)COc2ccc(I)cc2)[C@H](C[NH3+])C1 ZINC000592308926 530415301 /nfs/dbraw/zinc/41/53/01/530415301.db2.gz JPGKQAZGSSOFDR-GFCCVEGCSA-N 2 2 389.237 0.771 20 0 GCADLP C[N@H+]1CCN(C(=O)COc2ccc(I)cc2)[C@H](C[NH3+])C1 ZINC000592308926 530415302 /nfs/dbraw/zinc/41/53/02/530415302.db2.gz JPGKQAZGSSOFDR-GFCCVEGCSA-N 2 2 389.237 0.771 20 0 GCADLP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000638774271 530500837 /nfs/dbraw/zinc/50/08/37/530500837.db2.gz ZPEBTPSZOVCSEE-CQSZACIVSA-N 2 2 376.544 0.708 20 0 GCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000365971520 530515110 /nfs/dbraw/zinc/51/51/10/530515110.db2.gz TWLXHEZFNWJJHN-INIZCTEOSA-N 2 2 375.535 0.224 20 0 GCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000365971520 530515111 /nfs/dbraw/zinc/51/51/11/530515111.db2.gz TWLXHEZFNWJJHN-INIZCTEOSA-N 2 2 375.535 0.224 20 0 GCADLP Cn1c[nH+]cc1CCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000563352017 530524532 /nfs/dbraw/zinc/52/45/32/530524532.db2.gz FULHJSGHUUVCOC-UHFFFAOYSA-N 2 2 383.440 0.803 20 0 GCADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000569021164 530565798 /nfs/dbraw/zinc/56/57/98/530565798.db2.gz OLFYXKUPVZOLFU-CHWSQXEVSA-N 2 2 393.535 0.190 20 0 GCADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000569021164 530565799 /nfs/dbraw/zinc/56/57/99/530565799.db2.gz OLFYXKUPVZOLFU-CHWSQXEVSA-N 2 2 393.535 0.190 20 0 GCADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CCOC)CC1 ZINC000573016221 530574019 /nfs/dbraw/zinc/57/40/19/530574019.db2.gz KSOPZIRZRLXXIM-NVXWUHKLSA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC)CC1 ZINC000573016221 530574021 /nfs/dbraw/zinc/57/40/21/530574021.db2.gz KSOPZIRZRLXXIM-NVXWUHKLSA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000573016221 530574025 /nfs/dbraw/zinc/57/40/25/530574025.db2.gz KSOPZIRZRLXXIM-NVXWUHKLSA-N 2 2 379.567 0.308 20 0 GCADLP CCS(=O)(=O)N1CCC([C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000573016221 530574027 /nfs/dbraw/zinc/57/40/27/530574027.db2.gz KSOPZIRZRLXXIM-NVXWUHKLSA-N 2 2 379.567 0.308 20 0 GCADLP [NH3+]CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000575181767 530598196 /nfs/dbraw/zinc/59/81/96/530598196.db2.gz ZDCZBFZFYWDCAI-UHFFFAOYSA-N 2 2 392.319 0.731 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000574071930 530586865 /nfs/dbraw/zinc/58/68/65/530586865.db2.gz OHRMDRFJNIVVPA-HZSPNIEDSA-N 2 2 377.532 0.086 20 0 GCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000574071930 530586866 /nfs/dbraw/zinc/58/68/66/530586866.db2.gz OHRMDRFJNIVVPA-HZSPNIEDSA-N 2 2 377.532 0.086 20 0 GCADLP C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768189 530664249 /nfs/dbraw/zinc/66/42/49/530664249.db2.gz SRXWDIDWTOLREX-ZDUSSCGKSA-N 2 2 376.548 0.415 20 0 GCADLP C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768189 530664253 /nfs/dbraw/zinc/66/42/53/530664253.db2.gz SRXWDIDWTOLREX-ZDUSSCGKSA-N 2 2 376.548 0.415 20 0 GCADLP CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000467553792 530675150 /nfs/dbraw/zinc/67/51/50/530675150.db2.gz LLTKXSPGFVQWSG-GDBMZVCRSA-N 2 2 376.567 0.435 20 0 GCADLP CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467553792 530675154 /nfs/dbraw/zinc/67/51/54/530675154.db2.gz LLTKXSPGFVQWSG-GDBMZVCRSA-N 2 2 376.567 0.435 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)S(C)(=O)=O ZINC000372990101 530775540 /nfs/dbraw/zinc/77/55/40/530775540.db2.gz MPEZJJRTHUIHMK-INIZCTEOSA-N 2 2 376.567 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)S(C)(=O)=O ZINC000372990101 530775543 /nfs/dbraw/zinc/77/55/43/530775543.db2.gz MPEZJJRTHUIHMK-INIZCTEOSA-N 2 2 376.567 0.579 20 0 GCADLP O=c1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)nc2ccc(Br)cn12 ZINC000392681081 530800047 /nfs/dbraw/zinc/80/00/47/530800047.db2.gz SHBQMNIJKJECLK-OAHLLOKOSA-N 2 2 392.301 0.937 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCCCS(C)(=O)=O ZINC000483791732 530790927 /nfs/dbraw/zinc/79/09/27/530790927.db2.gz KSWWPPBEUHEQCH-UHFFFAOYSA-N 2 2 376.567 0.869 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCCCS(C)(=O)=O ZINC000483791732 530790930 /nfs/dbraw/zinc/79/09/30/530790930.db2.gz KSWWPPBEUHEQCH-UHFFFAOYSA-N 2 2 376.567 0.869 20 0 GCADLP CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@@H]1C ZINC000583155496 530860641 /nfs/dbraw/zinc/86/06/41/530860641.db2.gz UHLNFCWLTUPCLW-QWHCGFSZSA-N 2 2 393.535 0.286 20 0 GCADLP CC[N@H+]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@@H]1C ZINC000583155496 530860644 /nfs/dbraw/zinc/86/06/44/530860644.db2.gz UHLNFCWLTUPCLW-QWHCGFSZSA-N 2 2 393.535 0.286 20 0 GCADLP CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1C ZINC000583155492 530861124 /nfs/dbraw/zinc/86/11/24/530861124.db2.gz UHLNFCWLTUPCLW-CHWSQXEVSA-N 2 2 393.535 0.286 20 0 GCADLP CC[N@H+]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1C ZINC000583155492 530861129 /nfs/dbraw/zinc/86/11/29/530861129.db2.gz UHLNFCWLTUPCLW-CHWSQXEVSA-N 2 2 393.535 0.286 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000653061392 530862297 /nfs/dbraw/zinc/86/22/97/530862297.db2.gz NVQIHGAFQPWWBZ-GFCCVEGCSA-N 2 2 382.408 0.745 20 0 GCADLP CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000657071835 530872476 /nfs/dbraw/zinc/87/24/76/530872476.db2.gz HYSCGCINLFQLIE-ZDUSSCGKSA-N 2 2 390.575 0.935 20 0 GCADLP CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000657071835 530872478 /nfs/dbraw/zinc/87/24/78/530872478.db2.gz HYSCGCINLFQLIE-ZDUSSCGKSA-N 2 2 390.575 0.935 20 0 GCADLP CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656374602 530839978 /nfs/dbraw/zinc/83/99/78/530839978.db2.gz ASKXUOCOSWNIEH-ZDUSSCGKSA-N 2 2 393.535 0.287 20 0 GCADLP CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656374602 530839981 /nfs/dbraw/zinc/83/99/81/530839981.db2.gz ASKXUOCOSWNIEH-ZDUSSCGKSA-N 2 2 393.535 0.287 20 0 GCADLP C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000656382808 530842455 /nfs/dbraw/zinc/84/24/55/530842455.db2.gz SBBQXWZQQHVWMN-CHWSQXEVSA-N 2 2 393.535 0.334 20 0 GCADLP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000657601077 530898407 /nfs/dbraw/zinc/89/84/07/530898407.db2.gz AWBQOLABRLZBBW-NVXWUHKLSA-N 2 2 387.933 0.993 20 0 GCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000584537608 530918877 /nfs/dbraw/zinc/91/88/77/530918877.db2.gz NOKIQTYBZJISDY-CYBMUJFWSA-N 2 2 375.457 0.587 20 0 GCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000584537608 530918879 /nfs/dbraw/zinc/91/88/79/530918879.db2.gz NOKIQTYBZJISDY-CYBMUJFWSA-N 2 2 375.457 0.587 20 0 GCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420129737 530965760 /nfs/dbraw/zinc/96/57/60/530965760.db2.gz XGNHHRBWUKUPPG-GXFFZTMASA-N 2 2 394.273 0.827 20 0 GCADLP [NH3+][C@H](CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000419857122 530963333 /nfs/dbraw/zinc/96/33/33/530963333.db2.gz FZAKPYYUTKELGP-GFCCVEGCSA-N 2 2 380.246 0.567 20 0 GCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419850131 530963380 /nfs/dbraw/zinc/96/33/80/530963380.db2.gz ZYQDHVVRFRLMLR-NSHDSACASA-N 2 2 380.246 0.581 20 0 GCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420007200 530964471 /nfs/dbraw/zinc/96/44/71/530964471.db2.gz ZCWDVFQMPLTEIT-GFCCVEGCSA-N 2 2 394.273 0.971 20 0 GCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000631672302 530945132 /nfs/dbraw/zinc/94/51/32/530945132.db2.gz HODFXJHREOYHBB-UHFFFAOYSA-N 2 2 386.587 0.833 20 0 GCADLP C[C@@H]1C[NH+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000631702093 530945896 /nfs/dbraw/zinc/94/58/96/530945896.db2.gz MNVGUAGIOHNTGO-IAGOWNOFSA-N 2 2 376.567 0.043 20 0 GCADLP C[C@H]1C[NH+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000631702097 530945959 /nfs/dbraw/zinc/94/59/59/530945959.db2.gz MNVGUAGIOHNTGO-IRXDYDNUSA-N 2 2 376.567 0.043 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000513970778 530952525 /nfs/dbraw/zinc/95/25/25/530952525.db2.gz XJYWOQLWQOFANE-OAHLLOKOSA-N 2 2 380.505 0.922 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)[nH+]c12 ZINC000419044383 530953245 /nfs/dbraw/zinc/95/32/45/530953245.db2.gz PQMZEAWGLRYZPR-NSHDSACASA-N 2 2 394.273 0.842 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N(C)CC[NH3+])[nH+]c12 ZINC000419046270 530953346 /nfs/dbraw/zinc/95/33/46/530953346.db2.gz VCYNEXZFNQJFQC-UHFFFAOYSA-N 2 2 382.262 0.481 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)[nH+]c12 ZINC000419042205 530953662 /nfs/dbraw/zinc/95/36/62/530953662.db2.gz LDXCUKKBPLNBTM-LLVKDONJSA-N 2 2 380.246 0.500 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)[nH+]c12 ZINC000419047718 530953711 /nfs/dbraw/zinc/95/37/11/530953711.db2.gz YRJFKIOUMWPZSL-GFCCVEGCSA-N 2 2 394.273 0.890 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)[nH+]c12 ZINC000419041939 530953771 /nfs/dbraw/zinc/95/37/71/530953771.db2.gz KUZRDUZFTMMCFS-GFCCVEGCSA-N 2 2 394.273 0.542 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)[nH+]c12 ZINC000419048055 530954151 /nfs/dbraw/zinc/95/41/51/530954151.db2.gz ZKVDEBZYXVWUEE-GFCCVEGCSA-N 2 2 394.273 0.624 20 0 GCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000631979906 530954349 /nfs/dbraw/zinc/95/43/49/530954349.db2.gz YIXVSHZGZWIMDL-UHFFFAOYSA-N 2 2 385.559 0.653 20 0 GCADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350304 530967458 /nfs/dbraw/zinc/96/74/58/530967458.db2.gz GLJKOSRTXFGSTR-SKDRFNHKSA-N 2 2 377.226 0.870 20 0 GCADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350304 530967459 /nfs/dbraw/zinc/96/74/59/530967459.db2.gz GLJKOSRTXFGSTR-SKDRFNHKSA-N 2 2 377.226 0.870 20 0 GCADLP O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(F)cc1F ZINC000423099258 531016656 /nfs/dbraw/zinc/01/66/56/531016656.db2.gz LUTZIFFEBRVPRG-ZBFHGGJFSA-N 2 2 375.441 0.600 20 0 GCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662483197 531022167 /nfs/dbraw/zinc/02/21/67/531022167.db2.gz SKQLRQPJNBXAMW-CYBMUJFWSA-N 2 2 383.290 0.857 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662678445 531022453 /nfs/dbraw/zinc/02/24/53/531022453.db2.gz FRNCOOXMNNYUBA-HNNXBMFYSA-N 2 2 383.290 0.729 20 0 GCADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000538875196 531036926 /nfs/dbraw/zinc/03/69/26/531036926.db2.gz UWVIBTHUSYLSFS-CQSZACIVSA-N 2 2 387.933 0.995 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000547329970 531096736 /nfs/dbraw/zinc/09/67/36/531096736.db2.gz RBHYLWASYJFKCO-UHFFFAOYSA-N 2 2 375.535 0.665 20 0 GCADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430622519 531113618 /nfs/dbraw/zinc/11/36/18/531113618.db2.gz FNDNQQIVNWBANC-TZMCWYRMSA-N 2 2 383.290 0.762 20 0 GCADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430622519 531113620 /nfs/dbraw/zinc/11/36/20/531113620.db2.gz FNDNQQIVNWBANC-TZMCWYRMSA-N 2 2 383.290 0.762 20 0 GCADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000550887185 531134719 /nfs/dbraw/zinc/13/47/19/531134719.db2.gz VCBNKYWNHMIUDP-JSGCOSHPSA-N 2 2 385.306 0.929 20 0 GCADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000550887185 531134720 /nfs/dbraw/zinc/13/47/20/531134720.db2.gz VCBNKYWNHMIUDP-JSGCOSHPSA-N 2 2 385.306 0.929 20 0 GCADLP C[C@H](C(=O)N(C)CCNC(=O)[C@H](C)[NH+]1CCSCC1)[NH+]1CCSCC1 ZINC000438360885 531154009 /nfs/dbraw/zinc/15/40/09/531154009.db2.gz DKFQFKLMVYTCBG-LSDHHAIUSA-N 2 2 388.603 0.436 20 0 GCADLP C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000566485869 531198641 /nfs/dbraw/zinc/19/86/41/531198641.db2.gz CGLDMVLQISIDLU-STQMWFEESA-N 2 2 393.535 0.143 20 0 GCADLP C[N@H+](CCO)C1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736802612 598350458 /nfs/dbraw/zinc/35/04/58/598350458.db2.gz UVRXVSAYNZFWCB-UHFFFAOYSA-N 2 2 379.490 0.645 20 0 GCADLP C[N@@H+](CCO)C1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736802612 598350459 /nfs/dbraw/zinc/35/04/59/598350459.db2.gz UVRXVSAYNZFWCB-UHFFFAOYSA-N 2 2 379.490 0.645 20 0 GCADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737875319 598524893 /nfs/dbraw/zinc/52/48/93/598524893.db2.gz IVIKRKIABDVEOF-UHFFFAOYSA-N 2 2 391.501 0.911 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737878471 598685826 /nfs/dbraw/zinc/68/58/26/598685826.db2.gz PUVSGGPOHMIGPL-UHFFFAOYSA-N 2 2 399.499 0.876 20 0 GCADLP CN(C(=O)COc1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736852983 598743747 /nfs/dbraw/zinc/74/37/47/598743747.db2.gz UQWXBWIPZSAZDR-MRXNPFEDSA-N 2 2 399.499 0.872 20 0 GCADLP CN(C(=O)COc1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736852983 598743748 /nfs/dbraw/zinc/74/37/48/598743748.db2.gz UQWXBWIPZSAZDR-MRXNPFEDSA-N 2 2 399.499 0.872 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736851710 598769036 /nfs/dbraw/zinc/76/90/36/598769036.db2.gz KUNPOFJJZWQENH-INIZCTEOSA-N 2 2 384.488 0.563 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736851710 598769037 /nfs/dbraw/zinc/76/90/37/598769037.db2.gz KUNPOFJJZWQENH-INIZCTEOSA-N 2 2 384.488 0.563 20 0 GCADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000826033561 607519367 /nfs/dbraw/zinc/51/93/67/607519367.db2.gz HCHBJTNJOHIRQC-UHFFFAOYSA-N 2 2 384.488 0.638 20 0 GCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821601438 607121052 /nfs/dbraw/zinc/12/10/52/607121052.db2.gz HNDRJWIGZSJUQH-HNNXBMFYSA-N 2 2 380.412 0.717 20 0 GCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821601438 607121055 /nfs/dbraw/zinc/12/10/55/607121055.db2.gz HNDRJWIGZSJUQH-HNNXBMFYSA-N 2 2 380.412 0.717 20 0 GCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1-c1nn[nH]n1 ZINC000826073101 608019355 /nfs/dbraw/zinc/01/93/55/608019355.db2.gz DWKPRXALONMEIY-OAHLLOKOSA-N 2 2 383.460 0.983 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824984936 608170670 /nfs/dbraw/zinc/17/06/70/608170670.db2.gz PPAYARKBTKHPTE-AYOQOUSVSA-N 2 2 385.516 0.858 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824984936 608170671 /nfs/dbraw/zinc/17/06/71/608170671.db2.gz PPAYARKBTKHPTE-AYOQOUSVSA-N 2 2 385.516 0.858 20 0 GCADLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563718 608462025 /nfs/dbraw/zinc/46/20/25/608462025.db2.gz PQJRTSGOUAXLSU-CQSZACIVSA-N 2 2 387.488 0.744 20 0 GCADLP C[C@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824993329 608739235 /nfs/dbraw/zinc/73/92/35/608739235.db2.gz QCDTYTOVLRVJOZ-MAUKXSAKSA-N 2 2 395.515 0.972 20 0 GCADLP C[C@H]1C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824993329 608739238 /nfs/dbraw/zinc/73/92/38/608739238.db2.gz QCDTYTOVLRVJOZ-MAUKXSAKSA-N 2 2 395.515 0.972 20 0 GCADLP C[C@@](O)(C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)F ZINC000905051000 639290176 /nfs/dbraw/zinc/29/01/76/639290176.db2.gz XUPUOBJWORQIFW-OAHLLOKOSA-N 2 2 378.445 0.139 20 0 GCADLP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702526 639521305 /nfs/dbraw/zinc/52/13/05/639521305.db2.gz MJSBIQNEYYWEBB-CQSZACIVSA-N 2 2 385.262 0.006 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000750734323 640366966 /nfs/dbraw/zinc/36/69/66/640366966.db2.gz CUDGEQXEPUZCEH-HOTGVXAUSA-N 2 2 391.603 0.781 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000750734323 640366968 /nfs/dbraw/zinc/36/69/68/640366968.db2.gz CUDGEQXEPUZCEH-HOTGVXAUSA-N 2 2 391.603 0.781 20 0 GCADLP COCCS(=O)(=O)CCC[NH+]1CCC(C)(CN2CC[NH+](C)CC2)CC1 ZINC000755242596 640466959 /nfs/dbraw/zinc/46/69/59/640466959.db2.gz REQYVESBBPTQOW-UHFFFAOYSA-N 2 2 375.579 0.787 20 0 GCADLP C[NH+]1CCC(CNC(=S)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000760487954 640572830 /nfs/dbraw/zinc/57/28/30/640572830.db2.gz UQXMDXHDZKZTKE-UHFFFAOYSA-N 2 2 376.592 0.301 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ncc(Cl)s3)C2)CC1 ZINC000875215485 641540443 /nfs/dbraw/zinc/54/04/43/641540443.db2.gz XLJBDDQWPVMGHR-LLVKDONJSA-N 2 2 385.921 0.697 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ncc(Cl)s3)C2)CC1 ZINC000875215485 641540449 /nfs/dbraw/zinc/54/04/49/641540449.db2.gz XLJBDDQWPVMGHR-LLVKDONJSA-N 2 2 385.921 0.697 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876722321 641569125 /nfs/dbraw/zinc/56/91/25/641569125.db2.gz RUTVLDCZNIQZJD-HNNXBMFYSA-N 2 2 383.290 0.729 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CSCCS3)C2)CC1 ZINC000806209676 641642868 /nfs/dbraw/zinc/64/28/68/641642868.db2.gz GEEOVLWSPCWRND-ZFWWWQNUSA-N 2 2 386.587 0.236 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CSCCS3)C2)CC1 ZINC000806209676 641642871 /nfs/dbraw/zinc/64/28/71/641642871.db2.gz GEEOVLWSPCWRND-ZFWWWQNUSA-N 2 2 386.587 0.236 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CSCCS3)C2)CC1 ZINC000806209674 641643013 /nfs/dbraw/zinc/64/30/13/641643013.db2.gz GEEOVLWSPCWRND-HIFRSBDPSA-N 2 2 386.587 0.236 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CSCCS3)C2)CC1 ZINC000806209674 641643014 /nfs/dbraw/zinc/64/30/14/641643014.db2.gz GEEOVLWSPCWRND-HIFRSBDPSA-N 2 2 386.587 0.236 20 0 GCADLP C[NH+](CCCCCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000247053507 642062256 /nfs/dbraw/zinc/06/22/56/642062256.db2.gz FJCMVBBIXSEQKG-IYBDPMFKSA-N 2 2 380.576 0.785 20 0 GCADLP C[NH+](CCCCCC[N@H+](C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000247053507 642062290 /nfs/dbraw/zinc/06/22/90/642062290.db2.gz FJCMVBBIXSEQKG-IYBDPMFKSA-N 2 2 380.576 0.785 20 0 GCADLP C[NH+](CCCCCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000247053507 642062303 /nfs/dbraw/zinc/06/23/03/642062303.db2.gz FJCMVBBIXSEQKG-IYBDPMFKSA-N 2 2 380.576 0.785 20 0 GCADLP C[NH+](CCCCCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000247053507 642062308 /nfs/dbraw/zinc/06/23/08/642062308.db2.gz FJCMVBBIXSEQKG-IYBDPMFKSA-N 2 2 380.576 0.785 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652281527 1192176395 /nfs/dbraw/zinc/17/63/95/1192176395.db2.gz BOJNLIQNMUOKHB-UHFFFAOYSA-N 2 2 398.446 0.993 20 0 GCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000652291739 1192179047 /nfs/dbraw/zinc/17/90/47/1192179047.db2.gz GEPKAUPQZOEMQM-UHFFFAOYSA-N 2 2 392.504 0.098 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000597431167 1192191266 /nfs/dbraw/zinc/19/12/66/1192191266.db2.gz WUKOMIYTOHPVJV-UHFFFAOYSA-N 2 2 383.537 0.339 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000597431167 1192191269 /nfs/dbraw/zinc/19/12/69/1192191269.db2.gz WUKOMIYTOHPVJV-UHFFFAOYSA-N 2 2 383.537 0.339 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000661987174 1192211877 /nfs/dbraw/zinc/21/18/77/1192211877.db2.gz NVQUOOAJERYXCG-QGZVFWFLSA-N 2 2 384.521 0.228 20 0 GCADLP C[C@H](CO)C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000652433142 1192221669 /nfs/dbraw/zinc/22/16/69/1192221669.db2.gz TZWWPTSKCMRNAD-VQIMIIECSA-N 2 2 394.560 0.480 20 0 GCADLP C[C@H](CO)C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000652433142 1192221670 /nfs/dbraw/zinc/22/16/70/1192221670.db2.gz TZWWPTSKCMRNAD-VQIMIIECSA-N 2 2 394.560 0.480 20 0 GCADLP 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]3c3c[nH+]cn3C)C2)O1 ZINC000978964485 1192243757 /nfs/dbraw/zinc/24/37/57/1192243757.db2.gz DQIRTKIDZQOKSY-CQSHOCRRSA-N 2 2 389.500 0.254 20 0 GCADLP 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]3c3c[nH+]cn3C)C2)O1 ZINC000978964485 1192243760 /nfs/dbraw/zinc/24/37/60/1192243760.db2.gz DQIRTKIDZQOKSY-CQSHOCRRSA-N 2 2 389.500 0.254 20 0 GCADLP O=C(CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662154436 1192247314 /nfs/dbraw/zinc/24/73/14/1192247314.db2.gz FDUFBAPFBVCPQO-GOSISDBHSA-N 2 2 392.569 0.923 20 0 GCADLP O=C(CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662154436 1192247318 /nfs/dbraw/zinc/24/73/18/1192247318.db2.gz FDUFBAPFBVCPQO-GOSISDBHSA-N 2 2 392.569 0.923 20 0 GCADLP [NH3+]Cc1ccc(CNC(=O)N=c2ccn(CC[NH+]3CCOCC3)[nH]2)c(F)c1 ZINC000652579312 1192250596 /nfs/dbraw/zinc/25/05/96/1192250596.db2.gz ULCBJFISXOALQS-UHFFFAOYSA-N 2 2 376.436 0.557 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000662286989 1192276999 /nfs/dbraw/zinc/27/69/99/1192276999.db2.gz OSCAOAOECKSZQX-UHFFFAOYSA-N 2 2 375.473 0.067 20 0 GCADLP COc1ccc(CN2CCN(C(=O)C[NH2+]C3(CO)CC[NH2+]CC3)CC2)cc1 ZINC000662286519 1192277115 /nfs/dbraw/zinc/27/71/15/1192277115.db2.gz JHMDQCYYEROTCX-UHFFFAOYSA-N 2 2 376.501 0.044 20 0 GCADLP COc1ccc(C[NH+]2CCN(C(=O)CNC3(CO)CC[NH2+]CC3)CC2)cc1 ZINC000662286519 1192277117 /nfs/dbraw/zinc/27/71/17/1192277117.db2.gz JHMDQCYYEROTCX-UHFFFAOYSA-N 2 2 376.501 0.044 20 0 GCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336477 1192284664 /nfs/dbraw/zinc/28/46/64/1192284664.db2.gz XVRQQMAIQMOXMD-LSDHHAIUSA-N 2 2 384.488 0.816 20 0 GCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336477 1192284667 /nfs/dbraw/zinc/28/46/67/1192284667.db2.gz XVRQQMAIQMOXMD-LSDHHAIUSA-N 2 2 384.488 0.816 20 0 GCADLP CN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262207 1192332400 /nfs/dbraw/zinc/33/24/00/1192332400.db2.gz YTAGSXZLEUGKSY-FJIDUMEYSA-N 2 2 380.533 0.815 20 0 GCADLP CN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262207 1192332404 /nfs/dbraw/zinc/33/24/04/1192332404.db2.gz YTAGSXZLEUGKSY-FJIDUMEYSA-N 2 2 380.533 0.815 20 0 GCADLP C[C@H](CNc1cnc(NC[C@H](C)N2CC[NH+](C)CC2)cn1)N1CC[NH+](C)CC1 ZINC000663527947 1192375956 /nfs/dbraw/zinc/37/59/56/1192375956.db2.gz BEBMMXDNFARADX-HDICACEKSA-N 2 2 390.580 0.572 20 0 GCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000663556410 1192387689 /nfs/dbraw/zinc/38/76/89/1192387689.db2.gz ZGMLRVMFLQOUCW-UHFFFAOYSA-N 2 2 391.582 0.421 20 0 GCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000663556410 1192387694 /nfs/dbraw/zinc/38/76/94/1192387694.db2.gz ZGMLRVMFLQOUCW-UHFFFAOYSA-N 2 2 391.582 0.421 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000981641197 1192457706 /nfs/dbraw/zinc/45/77/06/1192457706.db2.gz JMWLVJJQTISHMS-XLNGHYISSA-N 2 2 377.489 0.312 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000981641197 1192457708 /nfs/dbraw/zinc/45/77/08/1192457708.db2.gz JMWLVJJQTISHMS-XLNGHYISSA-N 2 2 377.489 0.312 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663663940 1192464572 /nfs/dbraw/zinc/46/45/72/1192464572.db2.gz NDBXCRIDGRHNQJ-QGZVFWFLSA-N 2 2 381.521 0.093 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000279251445 1192493480 /nfs/dbraw/zinc/49/34/80/1192493480.db2.gz PLNVSQSDSAGLIX-KRWDZBQOSA-N 2 2 390.532 0.696 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000279293720 1192501407 /nfs/dbraw/zinc/50/14/07/1192501407.db2.gz LTHAGILZYRTKCG-SFHVURJKSA-N 2 2 375.517 0.773 20 0 GCADLP CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000050799993 1192501761 /nfs/dbraw/zinc/50/17/61/1192501761.db2.gz WTEZFRDIRHUOLH-UHFFFAOYSA-N 2 2 398.529 0.818 20 0 GCADLP c1nc(N2CC[NH+]([C@@H]3CCOC3)CC2)cnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663729517 1192515939 /nfs/dbraw/zinc/51/59/39/1192515939.db2.gz QXMGMIMYSQWBFM-QZTJIDSGSA-N 2 2 388.516 0.298 20 0 GCADLP CN(C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637375549 1192519180 /nfs/dbraw/zinc/51/91/80/1192519180.db2.gz MSMQNINXGTZTLH-ROUUACIJSA-N 3 2 394.564 0.136 20 0 GCADLP CN(C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637375549 1192519185 /nfs/dbraw/zinc/51/91/85/1192519185.db2.gz MSMQNINXGTZTLH-ROUUACIJSA-N 3 2 394.564 0.136 20 0 GCADLP CN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000637375549 1192519192 /nfs/dbraw/zinc/51/91/92/1192519192.db2.gz MSMQNINXGTZTLH-ROUUACIJSA-N 3 2 394.564 0.136 20 0 GCADLP CC(C)[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000432543258 1192548791 /nfs/dbraw/zinc/54/87/91/1192548791.db2.gz SRTDDJAYCMJZGI-HSALFYBXSA-N 2 2 398.592 0.627 20 0 GCADLP CC(C)[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000432543258 1192548796 /nfs/dbraw/zinc/54/87/96/1192548796.db2.gz SRTDDJAYCMJZGI-HSALFYBXSA-N 2 2 398.592 0.627 20 0 GCADLP C[C@@H](CN1CCOCC1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279676656 1192575039 /nfs/dbraw/zinc/57/50/39/1192575039.db2.gz GBJMPYYMXNBIIK-SFHVURJKSA-N 2 2 375.517 0.773 20 0 GCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279676656 1192575043 /nfs/dbraw/zinc/57/50/43/1192575043.db2.gz GBJMPYYMXNBIIK-SFHVURJKSA-N 2 2 375.517 0.773 20 0 GCADLP O=C(CCc1ccccc1)NC1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613995572 1192593938 /nfs/dbraw/zinc/59/39/38/1192593938.db2.gz JYKAGOLPHXYUAT-OALUTQOASA-N 2 2 384.524 0.878 20 0 GCADLP O=C(CN1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000613997338 1192602496 /nfs/dbraw/zinc/60/24/96/1192602496.db2.gz WUKPCUWYYZUZPQ-HZPDHXFCSA-N 2 2 389.475 0.060 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623404 1192621793 /nfs/dbraw/zinc/62/17/93/1192621793.db2.gz XCZGGTAFSBUISI-KBPBESRZSA-N 2 2 381.443 0.185 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824904 1192656831 /nfs/dbraw/zinc/65/68/31/1192656831.db2.gz DOEDZGZJGJQBOW-OALUTQOASA-N 2 2 388.512 0.604 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824904 1192656834 /nfs/dbraw/zinc/65/68/34/1192656834.db2.gz DOEDZGZJGJQBOW-OALUTQOASA-N 2 2 388.512 0.604 20 0 GCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418836322 1192658468 /nfs/dbraw/zinc/65/84/68/1192658468.db2.gz RDNOBYXQCSQLEC-RBUKOAKNSA-N 2 2 388.512 0.462 20 0 GCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418836322 1192658471 /nfs/dbraw/zinc/65/84/71/1192658471.db2.gz RDNOBYXQCSQLEC-RBUKOAKNSA-N 2 2 388.512 0.462 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824905 1192657024 /nfs/dbraw/zinc/65/70/24/1192657024.db2.gz DOEDZGZJGJQBOW-RBUKOAKNSA-N 2 2 388.512 0.604 20 0 GCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824905 1192657028 /nfs/dbraw/zinc/65/70/28/1192657028.db2.gz DOEDZGZJGJQBOW-RBUKOAKNSA-N 2 2 388.512 0.604 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1Cl ZINC000418879140 1192674720 /nfs/dbraw/zinc/67/47/20/1192674720.db2.gz SFFCMFPIHSVXCQ-INIZCTEOSA-N 2 2 381.908 0.080 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418910680 1192687390 /nfs/dbraw/zinc/68/73/90/1192687390.db2.gz KLGMWSKEVQCHAK-GOSISDBHSA-N 2 2 376.501 0.769 20 0 GCADLP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418911124 1192687575 /nfs/dbraw/zinc/68/75/75/1192687575.db2.gz KZEIJTWLSGQKPP-UHFFFAOYSA-N 2 2 376.501 0.769 20 0 GCADLP C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000418916010 1192688081 /nfs/dbraw/zinc/68/80/81/1192688081.db2.gz QWZYZKSUAOYJRF-QFBILLFUSA-N 2 2 388.512 0.721 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000418916008 1192688280 /nfs/dbraw/zinc/68/82/80/1192688280.db2.gz QWZYZKSUAOYJRF-APWZRJJASA-N 2 2 388.512 0.721 20 0 GCADLP C[C@]1(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000418919550 1192691668 /nfs/dbraw/zinc/69/16/68/1192691668.db2.gz XOUQWXFSGGCFCZ-NRFANRHFSA-N 2 2 388.512 0.641 20 0 GCADLP CO[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000418948407 1192699077 /nfs/dbraw/zinc/69/90/77/1192699077.db2.gz UCMHLNCHOAVFCI-GJZGRUSLSA-N 2 2 380.514 0.187 20 0 GCADLP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000418948407 1192699080 /nfs/dbraw/zinc/69/90/80/1192699080.db2.gz UCMHLNCHOAVFCI-GJZGRUSLSA-N 2 2 380.514 0.187 20 0 GCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410568382 1192718096 /nfs/dbraw/zinc/71/80/96/1192718096.db2.gz AZQIVCWPWKKBDP-UHFFFAOYSA-N 2 2 380.533 0.500 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419098835 1192785548 /nfs/dbraw/zinc/78/55/48/1192785548.db2.gz OURSPRLMSMZYFQ-OAHLLOKOSA-N 2 2 384.402 0.828 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419098835 1192785552 /nfs/dbraw/zinc/78/55/52/1192785552.db2.gz OURSPRLMSMZYFQ-OAHLLOKOSA-N 2 2 384.402 0.828 20 0 GCADLP [NH3+][C@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000419102676 1192786997 /nfs/dbraw/zinc/78/69/97/1192786997.db2.gz IWKHIUPCWRFTHX-QGZVFWFLSA-N 2 2 393.919 0.432 20 0 GCADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419105947 1192789033 /nfs/dbraw/zinc/78/90/33/1192789033.db2.gz MYFDPAQGXIGDGP-AWEZNQCLSA-N 2 2 381.908 0.384 20 0 GCADLP [NH3+]C1(CNC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCC1 ZINC000419110504 1192790596 /nfs/dbraw/zinc/79/05/96/1192790596.db2.gz SNCCEUQCBPFQPR-UHFFFAOYSA-N 2 2 393.919 0.576 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000419121687 1192794908 /nfs/dbraw/zinc/79/49/08/1192794908.db2.gz SGXCHKDITXICGA-LJQANCHMSA-N 2 2 388.512 0.769 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419123388 1192795722 /nfs/dbraw/zinc/79/57/22/1192795722.db2.gz VTNCQQBXVJRFSK-QRVBRYPASA-N 2 2 394.560 0.840 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000419124580 1192795960 /nfs/dbraw/zinc/79/59/60/1192795960.db2.gz XUTOHQQTUNZKPN-ZWKOTPCHSA-N 2 2 382.549 0.873 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000419124144 1192796052 /nfs/dbraw/zinc/79/60/52/1192796052.db2.gz WYMIIPHBCUMFFN-XMTFNYHQSA-N 2 2 380.533 0.354 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419110724 1192799131 /nfs/dbraw/zinc/79/91/31/1192799131.db2.gz CMIYWKUPOLNAOA-UJJTZGENSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000419159459 1192817300 /nfs/dbraw/zinc/81/73/00/1192817300.db2.gz ZDPGMBYRNZVBJF-QGZVFWFLSA-N 2 2 392.500 0.113 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000047946504 1192863407 /nfs/dbraw/zinc/86/34/07/1192863407.db2.gz OXLVXMXCDUQVGW-IBGZPJMESA-N 2 2 389.544 0.824 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)CC1 ZINC000410878647 1192910968 /nfs/dbraw/zinc/91/09/68/1192910968.db2.gz ZATYKSIRONYCRV-UHFFFAOYSA-N 2 2 376.501 0.750 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(N4CN=NC4=O)CC3)CC2)CC1 ZINC000663876991 1192917723 /nfs/dbraw/zinc/91/77/23/1192917723.db2.gz PXUOWKSWGKJLNT-UHFFFAOYSA-N 2 2 391.520 0.889 20 0 GCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419219396 1192920192 /nfs/dbraw/zinc/92/01/92/1192920192.db2.gz HIZFCWINGNVSGV-SFHVURJKSA-N 2 2 386.496 0.936 20 0 GCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419219396 1192920195 /nfs/dbraw/zinc/92/01/95/1192920195.db2.gz HIZFCWINGNVSGV-SFHVURJKSA-N 2 2 386.496 0.936 20 0 GCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246313906 1192922604 /nfs/dbraw/zinc/92/26/04/1192922604.db2.gz DPJIRBMERCAEHQ-ZNMIVQPWSA-N 2 2 382.530 0.783 20 0 GCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246313906 1192922605 /nfs/dbraw/zinc/92/26/05/1192922605.db2.gz DPJIRBMERCAEHQ-ZNMIVQPWSA-N 2 2 382.530 0.783 20 0 GCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000579713009 1184104046 /nfs/dbraw/zinc/10/40/46/1184104046.db2.gz TXCHAGJTCXOZGQ-HOCLYGCPSA-N 2 2 398.504 0.328 20 0 GCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000579713009 1184104052 /nfs/dbraw/zinc/10/40/52/1184104052.db2.gz TXCHAGJTCXOZGQ-HOCLYGCPSA-N 2 2 398.504 0.328 20 0 GCADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000579744063 1184124950 /nfs/dbraw/zinc/12/49/50/1184124950.db2.gz KUNNDAIGTKNOTD-YYIAUSFCSA-N 2 2 378.521 0.547 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000655073802 1184276118 /nfs/dbraw/zinc/27/61/18/1184276118.db2.gz BIOTXSUQHCHOLQ-VQIMIIECSA-N 2 2 377.489 0.056 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000655073802 1184276126 /nfs/dbraw/zinc/27/61/26/1184276126.db2.gz BIOTXSUQHCHOLQ-VQIMIIECSA-N 2 2 377.489 0.056 20 0 GCADLP CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O)[NH+]1CCCC1 ZINC000969511833 1184332791 /nfs/dbraw/zinc/33/27/91/1184332791.db2.gz CFUHZUDRWJKPFD-XOUADPBQSA-N 2 2 375.473 0.076 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069769302 1184375001 /nfs/dbraw/zinc/37/50/01/1184375001.db2.gz WQNBQDPSTOYSCO-ICSRJNTNSA-N 2 2 389.544 0.995 20 0 GCADLP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000533416000 1184379492 /nfs/dbraw/zinc/37/94/92/1184379492.db2.gz QVIWFIKOMOHRNQ-HZPDHXFCSA-N 2 2 382.549 0.839 20 0 GCADLP CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430255409 1184383266 /nfs/dbraw/zinc/38/32/66/1184383266.db2.gz WFNXVDJGPUGEQH-NRFANRHFSA-N 2 2 388.512 0.593 20 0 GCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430255409 1184383274 /nfs/dbraw/zinc/38/32/74/1184383274.db2.gz WFNXVDJGPUGEQH-NRFANRHFSA-N 2 2 388.512 0.593 20 0 GCADLP CN1CCN(c2cc(N3CCC(OCC[NH+]4CCCC4)CC3)[nH+]cn2)CC1=O ZINC000274946561 1184438506 /nfs/dbraw/zinc/43/85/06/1184438506.db2.gz UNWJGYONJVAZGR-UHFFFAOYSA-N 2 2 388.516 0.836 20 0 GCADLP CN1CCN(c2cc(N3CCC(OCC[NH+]4CCCC4)CC3)nc[nH+]2)CC1=O ZINC000274946561 1184438509 /nfs/dbraw/zinc/43/85/09/1184438509.db2.gz UNWJGYONJVAZGR-UHFFFAOYSA-N 2 2 388.516 0.836 20 0 GCADLP C[NH+](C)CCn1nnnc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000109419407 1184493843 /nfs/dbraw/zinc/49/38/43/1184493843.db2.gz PWKOIKFOKKZRPJ-UHFFFAOYSA-N 2 2 389.529 0.671 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000275186111 1184544458 /nfs/dbraw/zinc/54/44/58/1184544458.db2.gz BXBRDDDLQZLBCM-FQEVSTJZSA-N 2 2 399.539 0.574 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 ZINC000275190607 1184547091 /nfs/dbraw/zinc/54/70/91/1184547091.db2.gz CWZKYIBFUCSUSY-UHFFFAOYSA-N 2 2 399.539 0.357 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275398454 1184652188 /nfs/dbraw/zinc/65/21/88/1184652188.db2.gz HZQDAGQRDJJJHQ-UHFFFAOYSA-N 2 2 376.501 0.910 20 0 GCADLP Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001707870853 1184677477 /nfs/dbraw/zinc/67/74/77/1184677477.db2.gz ORBNKORNEXWMKQ-FUHWJXTLSA-N 2 2 392.548 0.854 20 0 GCADLP CC(C)CNC(=O)C1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000890898321 1184750922 /nfs/dbraw/zinc/75/09/22/1184750922.db2.gz RTSVROKJGCFZIR-IBGZPJMESA-N 2 2 396.576 0.944 20 0 GCADLP CC(C)CNC(=O)C1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000890898321 1184750927 /nfs/dbraw/zinc/75/09/27/1184750927.db2.gz RTSVROKJGCFZIR-IBGZPJMESA-N 2 2 396.576 0.944 20 0 GCADLP O=C(c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1)N1CCNC(=O)C1 ZINC000655693952 1184781199 /nfs/dbraw/zinc/78/11/99/1184781199.db2.gz BGSPURCTTPVUKW-LJQANCHMSA-N 2 2 386.496 0.602 20 0 GCADLP CCOC(=O)[C@H](CC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000413386536 1184795954 /nfs/dbraw/zinc/79/59/54/1184795954.db2.gz VEFHZESRJFMHLW-QGZVFWFLSA-N 2 2 396.532 0.273 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000275623841 1184831183 /nfs/dbraw/zinc/83/11/83/1184831183.db2.gz BDALTFXSRBNDLC-UHFFFAOYSA-N 2 2 393.463 0.348 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000275623841 1184831187 /nfs/dbraw/zinc/83/11/87/1184831187.db2.gz BDALTFXSRBNDLC-UHFFFAOYSA-N 2 2 393.463 0.348 20 0 GCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000579988348 1184891134 /nfs/dbraw/zinc/89/11/34/1184891134.db2.gz ADTYPLQXMFBSQE-AEFFLSMTSA-N 2 2 380.533 0.356 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000275716017 1184958775 /nfs/dbraw/zinc/95/87/75/1184958775.db2.gz SXYCZHHRPORDCJ-OAHLLOKOSA-N 2 2 378.473 0.091 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000275721047 1184975128 /nfs/dbraw/zinc/97/51/28/1184975128.db2.gz RVNBHDZBXJMJET-INIZCTEOSA-N 2 2 389.500 0.965 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000275721047 1184975134 /nfs/dbraw/zinc/97/51/34/1184975134.db2.gz RVNBHDZBXJMJET-INIZCTEOSA-N 2 2 389.500 0.965 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000580054153 1185035349 /nfs/dbraw/zinc/03/53/49/1185035349.db2.gz LQJSHGMIDIMTLS-MRXNPFEDSA-N 2 2 380.456 0.895 20 0 GCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000275768528 1185039349 /nfs/dbraw/zinc/03/93/49/1185039349.db2.gz SCNSFLWLOZVWLH-ZHALLVOQSA-N 2 2 389.500 0.259 20 0 GCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000275768528 1185039357 /nfs/dbraw/zinc/03/93/57/1185039357.db2.gz SCNSFLWLOZVWLH-ZHALLVOQSA-N 2 2 389.500 0.259 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000275768528 1185039365 /nfs/dbraw/zinc/03/93/65/1185039365.db2.gz SCNSFLWLOZVWLH-ZHALLVOQSA-N 2 2 389.500 0.259 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000275768528 1185039373 /nfs/dbraw/zinc/03/93/73/1185039373.db2.gz SCNSFLWLOZVWLH-ZHALLVOQSA-N 2 2 389.500 0.259 20 0 GCADLP CC(C)[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000068573747 1185230667 /nfs/dbraw/zinc/23/06/67/1185230667.db2.gz LPINUWKDYBDMTI-FCEWJHQRSA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000068573747 1185230671 /nfs/dbraw/zinc/23/06/71/1185230671.db2.gz LPINUWKDYBDMTI-FCEWJHQRSA-N 2 2 382.549 0.789 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000580634323 1185293376 /nfs/dbraw/zinc/29/33/76/1185293376.db2.gz LOLXZHUTPCHFOE-KSZLIROESA-N 2 2 392.544 0.545 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000580634323 1185293384 /nfs/dbraw/zinc/29/33/84/1185293384.db2.gz LOLXZHUTPCHFOE-KSZLIROESA-N 2 2 392.544 0.545 20 0 GCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000580644299 1185296294 /nfs/dbraw/zinc/29/62/94/1185296294.db2.gz OBBDZLXEGZUFAA-JYJNAYRXSA-N 2 2 391.520 0.707 20 0 GCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000580644299 1185296299 /nfs/dbraw/zinc/29/62/99/1185296299.db2.gz OBBDZLXEGZUFAA-JYJNAYRXSA-N 2 2 391.520 0.707 20 0 GCADLP C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CC([NH3+])C1 ZINC000580774783 1185354557 /nfs/dbraw/zinc/35/45/57/1185354557.db2.gz SFTVPDXWQGUXPP-UHFFFAOYSA-N 2 2 384.477 0.080 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CC([NH3+])C1 ZINC000580774783 1185354563 /nfs/dbraw/zinc/35/45/63/1185354563.db2.gz SFTVPDXWQGUXPP-UHFFFAOYSA-N 2 2 384.477 0.080 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000580834644 1185391423 /nfs/dbraw/zinc/39/14/23/1185391423.db2.gz OOLBNMJSKALBLR-IAOVAPTHSA-N 2 2 380.514 0.935 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000580834644 1185391428 /nfs/dbraw/zinc/39/14/28/1185391428.db2.gz OOLBNMJSKALBLR-IAOVAPTHSA-N 2 2 380.514 0.935 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314639 1185396520 /nfs/dbraw/zinc/39/65/20/1185396520.db2.gz ADDRAEUOHGRXHH-WNRNVDISSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314639 1185396527 /nfs/dbraw/zinc/39/65/27/1185396527.db2.gz ADDRAEUOHGRXHH-WNRNVDISSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314639 1185396534 /nfs/dbraw/zinc/39/65/34/1185396534.db2.gz ADDRAEUOHGRXHH-WNRNVDISSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314639 1185396539 /nfs/dbraw/zinc/39/65/39/1185396539.db2.gz ADDRAEUOHGRXHH-WNRNVDISSA-N 2 2 382.549 0.981 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000656315952 1185400844 /nfs/dbraw/zinc/40/08/44/1185400844.db2.gz NRIJLPWRGCTUAC-UHOSZYNNSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000656315952 1185400847 /nfs/dbraw/zinc/40/08/47/1185400847.db2.gz NRIJLPWRGCTUAC-UHOSZYNNSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315952 1185400854 /nfs/dbraw/zinc/40/08/54/1185400854.db2.gz NRIJLPWRGCTUAC-UHOSZYNNSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315952 1185400858 /nfs/dbraw/zinc/40/08/58/1185400858.db2.gz NRIJLPWRGCTUAC-UHOSZYNNSA-N 3 2 391.560 0.404 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000580975302 1185462025 /nfs/dbraw/zinc/46/20/25/1185462025.db2.gz ZOGMFDNWNLQBDS-OIISXLGYSA-N 2 2 389.500 0.610 20 0 GCADLP C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000656367258 1185478145 /nfs/dbraw/zinc/47/81/45/1185478145.db2.gz MPYYSUKSDAHBHZ-LPHOPBHVSA-N 2 2 386.500 0.881 20 0 GCADLP C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000656367258 1185478148 /nfs/dbraw/zinc/47/81/48/1185478148.db2.gz MPYYSUKSDAHBHZ-LPHOPBHVSA-N 2 2 386.500 0.881 20 0 GCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581079017 1185487614 /nfs/dbraw/zinc/48/76/14/1185487614.db2.gz BBUWAXPCCKDPTB-OAHLLOKOSA-N 2 2 386.456 0.498 20 0 GCADLP CN(C(=O)CC[C@@H]1CCC[NH2+]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152526 1185503609 /nfs/dbraw/zinc/50/36/09/1185503609.db2.gz XLIRICSGHSPCMM-KRWDZBQOSA-N 3 2 379.549 0.215 20 0 GCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152429 1185504208 /nfs/dbraw/zinc/50/42/08/1185504208.db2.gz DITWWIKPHURCRX-SFHVURJKSA-N 3 2 395.592 0.707 20 0 GCADLP Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)NCCOCC[NH+](C)C)CC2)no1 ZINC000471642684 1185554621 /nfs/dbraw/zinc/55/46/21/1185554621.db2.gz MQIXGKCIHHOAFX-INIZCTEOSA-N 2 2 382.509 0.952 20 0 GCADLP Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)NCCOCC[NH+](C)C)CC2)no1 ZINC000471642684 1185554624 /nfs/dbraw/zinc/55/46/24/1185554624.db2.gz MQIXGKCIHHOAFX-INIZCTEOSA-N 2 2 382.509 0.952 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430545509 1185566524 /nfs/dbraw/zinc/56/65/24/1185566524.db2.gz BILZFHYVYGHNFU-QFBILLFUSA-N 2 2 388.512 0.834 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430545509 1185566531 /nfs/dbraw/zinc/56/65/31/1185566531.db2.gz BILZFHYVYGHNFU-QFBILLFUSA-N 2 2 388.512 0.834 20 0 GCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000430549966 1185571623 /nfs/dbraw/zinc/57/16/23/1185571623.db2.gz FHEQLSQSLIUYJU-FQEVSTJZSA-N 2 2 376.501 0.738 20 0 GCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276112614 1185578495 /nfs/dbraw/zinc/57/84/95/1185578495.db2.gz RNNCSWCSRROFLV-KRWDZBQOSA-N 2 2 392.500 0.147 20 0 GCADLP C[C@@H]1CCCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H]1C[NH3+] ZINC000430564025 1185606174 /nfs/dbraw/zinc/60/61/74/1185606174.db2.gz KXDHVTQMIHFMGC-GDBMZVCRSA-N 2 2 386.504 0.071 20 0 GCADLP C[C@H]1CCCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H]1C[NH3+] ZINC000430564027 1185607515 /nfs/dbraw/zinc/60/75/15/1185607515.db2.gz KXDHVTQMIHFMGC-HOCLYGCPSA-N 2 2 386.504 0.071 20 0 GCADLP CCc1nc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)no1 ZINC001104345589 1185611890 /nfs/dbraw/zinc/61/18/90/1185611890.db2.gz JKARIYAJLAUXLE-KLHDSHLOSA-N 2 2 379.505 0.925 20 0 GCADLP CCc1nc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)no1 ZINC001104345589 1185611894 /nfs/dbraw/zinc/61/18/94/1185611894.db2.gz JKARIYAJLAUXLE-KLHDSHLOSA-N 2 2 379.505 0.925 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000430568089 1185617116 /nfs/dbraw/zinc/61/71/16/1185617116.db2.gz GZSBIDGGODECRT-HZSPNIEDSA-N 2 2 380.514 0.671 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000430568089 1185617121 /nfs/dbraw/zinc/61/71/21/1185617121.db2.gz GZSBIDGGODECRT-HZSPNIEDSA-N 2 2 380.514 0.671 20 0 GCADLP CCn1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104347132 1185620929 /nfs/dbraw/zinc/62/09/29/1185620929.db2.gz QNSQYVDPFHTHCD-YFHUEUNASA-N 2 2 378.521 0.591 20 0 GCADLP CCn1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104347132 1185620933 /nfs/dbraw/zinc/62/09/33/1185620933.db2.gz QNSQYVDPFHTHCD-YFHUEUNASA-N 2 2 378.521 0.591 20 0 GCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000430576151 1185631304 /nfs/dbraw/zinc/63/13/04/1185631304.db2.gz VYMUDYCOJMVOMD-GOSISDBHSA-N 2 2 398.529 0.609 20 0 GCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000581431423 1185689561 /nfs/dbraw/zinc/68/95/61/1185689561.db2.gz JBOCPTCOSNGFAC-HKUYNNGSSA-N 2 2 383.496 0.851 20 0 GCADLP C[NH+]1CCN(c2ccc(CNC(=O)NCCC[NH+]3CCOCC3)cn2)CC1 ZINC000071912681 1185691099 /nfs/dbraw/zinc/69/10/99/1185691099.db2.gz QTCRTSSCCSDXFT-UHFFFAOYSA-N 2 2 376.505 0.355 20 0 GCADLP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419507103 1185692725 /nfs/dbraw/zinc/69/27/25/1185692725.db2.gz OULOYMRYSXLLCP-IRXDYDNUSA-N 2 2 391.491 0.450 20 0 GCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419507105 1185693029 /nfs/dbraw/zinc/69/30/29/1185693029.db2.gz OULOYMRYSXLLCP-SJORKVTESA-N 2 2 391.491 0.450 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@@H]1C(F)(F)F ZINC000891412278 1185711712 /nfs/dbraw/zinc/71/17/12/1185711712.db2.gz WRXRZJOJAUAMHP-VNHYZAJKSA-N 2 2 396.479 0.973 20 0 GCADLP O=S(=O)(CC[NH2+]C1CC[NH+](C2CC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000581533905 1185747969 /nfs/dbraw/zinc/74/79/69/1185747969.db2.gz JVOFEHROAJSOAB-UHFFFAOYSA-N 2 2 393.557 0.750 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000581533105 1185748011 /nfs/dbraw/zinc/74/80/11/1185748011.db2.gz MMXXICQEXAILKV-QGZVFWFLSA-N 2 2 375.521 0.723 20 0 GCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000581533105 1185748014 /nfs/dbraw/zinc/74/80/14/1185748014.db2.gz MMXXICQEXAILKV-QGZVFWFLSA-N 2 2 375.521 0.723 20 0 GCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H]3COC[C@H]3OC)CC2)cc1 ZINC000581605939 1185784109 /nfs/dbraw/zinc/78/41/09/1185784109.db2.gz ICUCLTZMPPPFPT-RTBURBONSA-N 2 2 377.485 0.733 20 0 GCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H]3COC[C@H]3OC)CC2)cc1 ZINC000581605939 1185784115 /nfs/dbraw/zinc/78/41/15/1185784115.db2.gz ICUCLTZMPPPFPT-RTBURBONSA-N 2 2 377.485 0.733 20 0 GCADLP COCCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430632421 1185821936 /nfs/dbraw/zinc/82/19/36/1185821936.db2.gz XMPCRQXDOFFOBR-AWEZNQCLSA-N 2 2 383.518 0.429 20 0 GCADLP COCCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430632421 1185821942 /nfs/dbraw/zinc/82/19/42/1185821942.db2.gz XMPCRQXDOFFOBR-AWEZNQCLSA-N 2 2 383.518 0.429 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000292996676 1185903065 /nfs/dbraw/zinc/90/30/65/1185903065.db2.gz CPJNDBYAPIVNHU-HNNXBMFYSA-N 2 2 387.488 0.106 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000292996676 1185903068 /nfs/dbraw/zinc/90/30/68/1185903068.db2.gz CPJNDBYAPIVNHU-HNNXBMFYSA-N 2 2 387.488 0.106 20 0 GCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000891545275 1185913243 /nfs/dbraw/zinc/91/32/43/1185913243.db2.gz CHJPCLKQUNUJHK-PMPSAXMXSA-N 2 2 389.504 0.413 20 0 GCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000891545275 1185913245 /nfs/dbraw/zinc/91/32/45/1185913245.db2.gz CHJPCLKQUNUJHK-PMPSAXMXSA-N 2 2 389.504 0.413 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000430754548 1186025217 /nfs/dbraw/zinc/02/52/17/1186025217.db2.gz FANAWRYQIAAHTJ-FQEVSTJZSA-N 2 2 385.512 0.982 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000430878102 1186044275 /nfs/dbraw/zinc/04/42/75/1186044275.db2.gz HCJIQUSPTMHQSI-UHFFFAOYSA-N 2 2 390.528 0.873 20 0 GCADLP C[C@@H](Cc1cccnc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000933748781 1186059624 /nfs/dbraw/zinc/05/96/24/1186059624.db2.gz UDKRDCIOBQPJLX-LPHOPBHVSA-N 2 2 387.528 0.756 20 0 GCADLP C[C@@H](Cc1cccnc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000933748781 1186059627 /nfs/dbraw/zinc/05/96/27/1186059627.db2.gz UDKRDCIOBQPJLX-LPHOPBHVSA-N 2 2 387.528 0.756 20 0 GCADLP C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430967350 1186073307 /nfs/dbraw/zinc/07/33/07/1186073307.db2.gz SADBKLJASWQYON-CABCVRRESA-N 2 2 396.513 0.315 20 0 GCADLP C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430967350 1186073312 /nfs/dbraw/zinc/07/33/12/1186073312.db2.gz SADBKLJASWQYON-CABCVRRESA-N 2 2 396.513 0.315 20 0 GCADLP CCc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1C ZINC001087181379 1186117357 /nfs/dbraw/zinc/11/73/57/1186117357.db2.gz OIYBHIWYUQSLBG-WCXIOVBPSA-N 2 2 392.548 0.813 20 0 GCADLP CCc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1C ZINC001087181379 1186117362 /nfs/dbraw/zinc/11/73/62/1186117362.db2.gz OIYBHIWYUQSLBG-WCXIOVBPSA-N 2 2 392.548 0.813 20 0 GCADLP CCC(CC)[C@H](CNC(=O)NC1CC[NH+](CC(=O)NC)CC1)[NH+]1CCOCC1 ZINC000048506602 1186125322 /nfs/dbraw/zinc/12/53/22/1186125322.db2.gz HVHWVIZWRYJHIF-SFHVURJKSA-N 2 2 397.564 0.633 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000277100324 1186239812 /nfs/dbraw/zinc/23/98/12/1186239812.db2.gz TUZIYDAVQLOFBT-DLBZAZTESA-N 2 2 390.528 0.872 20 0 GCADLP Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001707915063 1186272111 /nfs/dbraw/zinc/27/21/11/1186272111.db2.gz FWKBOBLFUUZJLN-AEFFLSMTSA-N 2 2 378.521 0.466 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000151342854 1186286836 /nfs/dbraw/zinc/28/68/36/1186286836.db2.gz NTNHOTRQMRDWMK-QZTJIDSGSA-N 2 2 377.533 0.998 20 0 GCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277199548 1186292874 /nfs/dbraw/zinc/29/28/74/1186292874.db2.gz MKPCPRVIEQPOEJ-DOTOQJQBSA-N 2 2 396.557 0.797 20 0 GCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277199548 1186292880 /nfs/dbraw/zinc/29/28/80/1186292880.db2.gz MKPCPRVIEQPOEJ-DOTOQJQBSA-N 2 2 396.557 0.797 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000047882649 1186309528 /nfs/dbraw/zinc/30/95/28/1186309528.db2.gz ULHALMDZQMUDPN-MRXNPFEDSA-N 2 2 377.489 0.926 20 0 GCADLP CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000538199098 1186311233 /nfs/dbraw/zinc/31/12/33/1186311233.db2.gz QPQZEOKCZSPXFR-IRXDYDNUSA-N 2 2 383.537 0.290 20 0 GCADLP CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000538199098 1186311249 /nfs/dbraw/zinc/31/12/49/1186311249.db2.gz QPQZEOKCZSPXFR-IRXDYDNUSA-N 2 2 383.537 0.290 20 0 GCADLP CN(C(=O)Cn1c2ccccc2n(C)c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370832912 1186405470 /nfs/dbraw/zinc/40/54/70/1186405470.db2.gz ZVPNQRVLPJIFRJ-QGZVFWFLSA-N 2 2 385.512 0.967 20 0 GCADLP CN(C(=O)Cn1c2ccccc2n(C)c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370832912 1186405485 /nfs/dbraw/zinc/40/54/85/1186405485.db2.gz ZVPNQRVLPJIFRJ-QGZVFWFLSA-N 2 2 385.512 0.967 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[NH+]1CCN(C)CC1 ZINC000559611488 1186453785 /nfs/dbraw/zinc/45/37/85/1186453785.db2.gz CXLYZUYADCDYAP-GOSISDBHSA-N 2 2 393.576 0.461 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC[N@H+](C)CCO)C[C@@H](C)O1 ZINC000892221170 1186464056 /nfs/dbraw/zinc/46/40/56/1186464056.db2.gz PAJHRWGECOUMPL-HZPDHXFCSA-N 2 2 392.500 0.275 20 0 GCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC[N@@H+](C)CCO)C[C@@H](C)O1 ZINC000892221170 1186464062 /nfs/dbraw/zinc/46/40/62/1186464062.db2.gz PAJHRWGECOUMPL-HZPDHXFCSA-N 2 2 392.500 0.275 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000582255384 1186475456 /nfs/dbraw/zinc/47/54/56/1186475456.db2.gz TXDCEZGAOQGVNS-RBUKOAKNSA-N 2 2 394.560 0.794 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000582315901 1186492826 /nfs/dbraw/zinc/49/28/26/1186492826.db2.gz NNHITOURUSDOLL-OALUTQOASA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000582315901 1186492827 /nfs/dbraw/zinc/49/28/27/1186492827.db2.gz NNHITOURUSDOLL-OALUTQOASA-N 3 2 391.560 0.404 20 0 GCADLP O[C@@H](C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)Cn1cccn1 ZINC000582415847 1186525370 /nfs/dbraw/zinc/52/53/70/1186525370.db2.gz MBJYZNKIAHHFJY-IRXDYDNUSA-N 2 2 387.488 0.129 20 0 GCADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657434722 1186537733 /nfs/dbraw/zinc/53/77/33/1186537733.db2.gz IASFSXXXVPHGHW-FQEVSTJZSA-N 2 2 383.452 0.373 20 0 GCADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657434722 1186537738 /nfs/dbraw/zinc/53/77/38/1186537738.db2.gz IASFSXXXVPHGHW-FQEVSTJZSA-N 2 2 383.452 0.373 20 0 GCADLP CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668640889 1186635649 /nfs/dbraw/zinc/63/56/49/1186635649.db2.gz YTLQTEXPRUFQRV-WMLDXEAASA-N 2 2 386.562 0.378 20 0 GCADLP CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668640889 1186635651 /nfs/dbraw/zinc/63/56/51/1186635651.db2.gz YTLQTEXPRUFQRV-WMLDXEAASA-N 2 2 386.562 0.378 20 0 GCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)cc2)CC1 ZINC000582788648 1186673704 /nfs/dbraw/zinc/67/37/04/1186673704.db2.gz KGVDWDCPOXPPPM-FQEVSTJZSA-N 2 2 397.527 0.962 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642921699 1186684661 /nfs/dbraw/zinc/68/46/61/1186684661.db2.gz RQRXLNHLWSMTBA-MOPGFXCFSA-N 3 2 387.528 0.430 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642921699 1186684664 /nfs/dbraw/zinc/68/46/64/1186684664.db2.gz RQRXLNHLWSMTBA-MOPGFXCFSA-N 3 2 387.528 0.430 20 0 GCADLP [NH3+]C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000564988408 1186704386 /nfs/dbraw/zinc/70/43/86/1186704386.db2.gz LCSIUAHSZULYQE-UHFFFAOYSA-N 2 2 384.477 0.082 20 0 GCADLP O=S1(=O)CC[C@](O)(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631148183 1186736952 /nfs/dbraw/zinc/73/69/52/1186736952.db2.gz KQBIQHWISVBXQF-SFHVURJKSA-N 2 2 384.498 0.037 20 0 GCADLP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cn1 ZINC000126156351 1186759639 /nfs/dbraw/zinc/75/96/39/1186759639.db2.gz MDQNZHRDSMWHDW-UHFFFAOYSA-N 2 2 381.440 0.885 20 0 GCADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000583084179 1186766847 /nfs/dbraw/zinc/76/68/47/1186766847.db2.gz APXFVTGMZDYXQG-UHFFFAOYSA-N 2 2 384.502 0.053 20 0 GCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000583084179 1186766849 /nfs/dbraw/zinc/76/68/49/1186766849.db2.gz APXFVTGMZDYXQG-UHFFFAOYSA-N 2 2 384.502 0.053 20 0 GCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000685080604 1186773467 /nfs/dbraw/zinc/77/34/67/1186773467.db2.gz JRTJBQXMROIEEF-MOPGFXCFSA-N 2 2 394.560 0.794 20 0 GCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000685080604 1186773471 /nfs/dbraw/zinc/77/34/71/1186773471.db2.gz JRTJBQXMROIEEF-MOPGFXCFSA-N 2 2 394.560 0.794 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000413521877 1186774662 /nfs/dbraw/zinc/77/46/62/1186774662.db2.gz ZTDFYAFCJZFMDE-UHFFFAOYSA-N 2 2 385.553 0.001 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000413521877 1186774664 /nfs/dbraw/zinc/77/46/64/1186774664.db2.gz ZTDFYAFCJZFMDE-UHFFFAOYSA-N 2 2 385.553 0.001 20 0 GCADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C[NH+]1CCOCC1 ZINC000458420996 1186790823 /nfs/dbraw/zinc/79/08/23/1186790823.db2.gz PXGNBNCWEZYFCG-KRWDZBQOSA-N 2 2 384.521 0.135 20 0 GCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)CC1 ZINC000657741839 1186798678 /nfs/dbraw/zinc/79/86/78/1186798678.db2.gz ZTWTVSLNLGVXCI-RTBURBONSA-N 2 2 392.544 0.500 20 0 GCADLP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657744015 1186805051 /nfs/dbraw/zinc/80/50/51/1186805051.db2.gz GBLMBFDPIPRABY-ROUUACIJSA-N 2 2 378.517 0.396 20 0 GCADLP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657744014 1186805309 /nfs/dbraw/zinc/80/53/09/1186805309.db2.gz GBLMBFDPIPRABY-QZTJIDSGSA-N 2 2 378.517 0.396 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC3(C(=O)OC)CCCCC3)C2)CC1 ZINC000155679268 1186822452 /nfs/dbraw/zinc/82/24/52/1186822452.db2.gz MIAFADKIGDEPOK-QGZVFWFLSA-N 2 2 380.533 0.690 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC3(C(=O)OC)CCCCC3)C2)CC1 ZINC000155679268 1186822455 /nfs/dbraw/zinc/82/24/55/1186822455.db2.gz MIAFADKIGDEPOK-QGZVFWFLSA-N 2 2 380.533 0.690 20 0 GCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000150920366 1186831688 /nfs/dbraw/zinc/83/16/88/1186831688.db2.gz ISMSUKXSLHRUHV-UHFFFAOYSA-N 2 2 381.440 0.999 20 0 GCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000583373199 1186838857 /nfs/dbraw/zinc/83/88/57/1186838857.db2.gz GVFPDMLAZZEJAN-RTBURBONSA-N 2 2 389.544 0.905 20 0 GCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000583373199 1186838862 /nfs/dbraw/zinc/83/88/62/1186838862.db2.gz GVFPDMLAZZEJAN-RTBURBONSA-N 2 2 389.544 0.905 20 0 GCADLP CCCCN(C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000583381963 1186839932 /nfs/dbraw/zinc/83/99/32/1186839932.db2.gz YMUAFSJGGDFTKN-KBPBESRZSA-N 2 2 394.520 0.743 20 0 GCADLP CCCCN(C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000583381963 1186839936 /nfs/dbraw/zinc/83/99/36/1186839936.db2.gz YMUAFSJGGDFTKN-KBPBESRZSA-N 2 2 394.520 0.743 20 0 GCADLP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000583430657 1186852924 /nfs/dbraw/zinc/85/29/24/1186852924.db2.gz WCIXCZDFCFZQLN-HKUYNNGSSA-N 2 2 382.468 0.843 20 0 GCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)CC2)cc[nH+]1 ZINC000583494065 1186869467 /nfs/dbraw/zinc/86/94/67/1186869467.db2.gz IDZCTVFLYSLACS-KRWDZBQOSA-N 2 2 386.500 0.424 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000583585750 1186892847 /nfs/dbraw/zinc/89/28/47/1186892847.db2.gz NWJMZONRJQNMQO-MSOLQXFVSA-N 2 2 394.560 0.936 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000583585750 1186892851 /nfs/dbraw/zinc/89/28/51/1186892851.db2.gz NWJMZONRJQNMQO-MSOLQXFVSA-N 2 2 394.560 0.936 20 0 GCADLP CO[C@]1(C)C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685186039 1186922698 /nfs/dbraw/zinc/92/26/98/1186922698.db2.gz QJBVHWDNSKHLSD-LLGFUMIMSA-N 2 2 394.560 0.933 20 0 GCADLP CO[C@]1(C)C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685186039 1186922703 /nfs/dbraw/zinc/92/27/03/1186922703.db2.gz QJBVHWDNSKHLSD-LLGFUMIMSA-N 2 2 394.560 0.933 20 0 GCADLP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685186037 1186922739 /nfs/dbraw/zinc/92/27/39/1186922739.db2.gz QJBVHWDNSKHLSD-CBGDNZLLSA-N 2 2 394.560 0.933 20 0 GCADLP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685186037 1186922740 /nfs/dbraw/zinc/92/27/40/1186922740.db2.gz QJBVHWDNSKHLSD-CBGDNZLLSA-N 2 2 394.560 0.933 20 0 GCADLP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000583744713 1186930416 /nfs/dbraw/zinc/93/04/16/1186930416.db2.gz VIYVXNKYFFGASI-QZTJIDSGSA-N 2 2 380.533 0.737 20 0 GCADLP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000583744713 1186930419 /nfs/dbraw/zinc/93/04/19/1186930419.db2.gz VIYVXNKYFFGASI-QZTJIDSGSA-N 2 2 380.533 0.737 20 0 GCADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)[NH+]2CCCCC2)cc1 ZINC000278543353 1186973599 /nfs/dbraw/zinc/97/35/99/1186973599.db2.gz AIWROIRHBJBJCL-QRVBRYPASA-N 2 2 377.485 0.376 20 0 GCADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)[NH+]2CCCCC2)cc1 ZINC000278543353 1186973600 /nfs/dbraw/zinc/97/36/00/1186973600.db2.gz AIWROIRHBJBJCL-QRVBRYPASA-N 2 2 377.485 0.376 20 0 GCADLP CCC1(O)CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000685251726 1186978806 /nfs/dbraw/zinc/97/88/06/1186978806.db2.gz HRMNBGQATWKNBW-UHFFFAOYSA-N 2 2 382.549 0.671 20 0 GCADLP CCC1(O)CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000685251726 1186978809 /nfs/dbraw/zinc/97/88/09/1186978809.db2.gz HRMNBGQATWKNBW-UHFFFAOYSA-N 2 2 382.549 0.671 20 0 GCADLP CCC1(O)CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685252971 1186980769 /nfs/dbraw/zinc/98/07/69/1186980769.db2.gz UFURZSIPMUUFHA-JGCRXCKMSA-N 2 2 394.560 0.813 20 0 GCADLP CCC1(O)CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685252971 1186980770 /nfs/dbraw/zinc/98/07/70/1186980770.db2.gz UFURZSIPMUUFHA-JGCRXCKMSA-N 2 2 394.560 0.813 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000132830324 1186981401 /nfs/dbraw/zinc/98/14/01/1186981401.db2.gz LGVRKHYTFJHAED-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000132830324 1186981403 /nfs/dbraw/zinc/98/14/03/1186981403.db2.gz LGVRKHYTFJHAED-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276383 1187017850 /nfs/dbraw/zinc/01/78/50/1187017850.db2.gz OABCXHMBRWRYND-GJYPPUQNSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276383 1187017853 /nfs/dbraw/zinc/01/78/53/1187017853.db2.gz OABCXHMBRWRYND-GJYPPUQNSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000685276383 1187017856 /nfs/dbraw/zinc/01/78/56/1187017856.db2.gz OABCXHMBRWRYND-GJYPPUQNSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000685276383 1187017862 /nfs/dbraw/zinc/01/78/62/1187017862.db2.gz OABCXHMBRWRYND-GJYPPUQNSA-N 3 2 391.560 0.355 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584232747 1187019210 /nfs/dbraw/zinc/01/92/10/1187019210.db2.gz UHZOBNRJSVYXCI-GOSISDBHSA-N 2 2 387.484 0.157 20 0 GCADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C[C@@H]1O ZINC000584241684 1187019962 /nfs/dbraw/zinc/01/99/62/1187019962.db2.gz RQKUBRKOGNWUEV-IKGGRYGDSA-N 2 2 377.489 0.151 20 0 GCADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C[C@@H]1O ZINC000584241684 1187019965 /nfs/dbraw/zinc/01/99/65/1187019965.db2.gz RQKUBRKOGNWUEV-IKGGRYGDSA-N 2 2 377.489 0.151 20 0 GCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000081334847 1187044957 /nfs/dbraw/zinc/04/49/57/1187044957.db2.gz GWEPWNWAQBDTHN-ZWKOTPCHSA-N 2 2 380.533 0.357 20 0 GCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000375748818 1187059452 /nfs/dbraw/zinc/05/94/52/1187059452.db2.gz AAOWLAXKIIPHEW-RTBURBONSA-N 2 2 377.485 0.421 20 0 GCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000375748818 1187059455 /nfs/dbraw/zinc/05/94/55/1187059455.db2.gz AAOWLAXKIIPHEW-RTBURBONSA-N 2 2 377.485 0.421 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000375748818 1187059460 /nfs/dbraw/zinc/05/94/60/1187059460.db2.gz AAOWLAXKIIPHEW-RTBURBONSA-N 2 2 377.485 0.421 20 0 GCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000375748818 1187059464 /nfs/dbraw/zinc/05/94/64/1187059464.db2.gz AAOWLAXKIIPHEW-RTBURBONSA-N 2 2 377.485 0.421 20 0 GCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000685304091 1187059612 /nfs/dbraw/zinc/05/96/12/1187059612.db2.gz YTTCXDTVVRBKEW-LZQZEXGQSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000685304091 1187059615 /nfs/dbraw/zinc/05/96/15/1187059615.db2.gz YTTCXDTVVRBKEW-LZQZEXGQSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685304091 1187059620 /nfs/dbraw/zinc/05/96/20/1187059620.db2.gz YTTCXDTVVRBKEW-LZQZEXGQSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685304091 1187059626 /nfs/dbraw/zinc/05/96/26/1187059626.db2.gz YTTCXDTVVRBKEW-LZQZEXGQSA-N 3 2 391.560 0.212 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)CC1 ZINC000138873962 1187078537 /nfs/dbraw/zinc/07/85/37/1187078537.db2.gz HZMBBAUVWAKLCB-HDICACEKSA-N 2 2 388.512 0.612 20 0 GCADLP CCN1CC[NH+](CCC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000431559170 1187094265 /nfs/dbraw/zinc/09/42/65/1187094265.db2.gz JMNXSJQFBVQESI-UHFFFAOYSA-N 2 2 395.592 0.757 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685347061 1187110062 /nfs/dbraw/zinc/11/00/62/1187110062.db2.gz AFPRZAJVAAOTQP-RCCFBDPRSA-N 2 2 378.517 0.297 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685347061 1187110063 /nfs/dbraw/zinc/11/00/63/1187110063.db2.gz AFPRZAJVAAOTQP-RCCFBDPRSA-N 2 2 378.517 0.297 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000143220841 1187159402 /nfs/dbraw/zinc/15/94/02/1187159402.db2.gz VROKVDIADDULSF-MRXNPFEDSA-N 2 2 384.484 0.774 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685673775 1187218195 /nfs/dbraw/zinc/21/81/95/1187218195.db2.gz WHMIEHHVRVEGOR-MRXNPFEDSA-N 2 2 375.477 0.880 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685673775 1187218197 /nfs/dbraw/zinc/21/81/97/1187218197.db2.gz WHMIEHHVRVEGOR-MRXNPFEDSA-N 2 2 375.477 0.880 20 0 GCADLP C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@H+](C)CCO1 ZINC000635710956 1187248189 /nfs/dbraw/zinc/24/81/89/1187248189.db2.gz AIPHQLDLZIUGHU-SUMWQHHRSA-N 2 2 375.473 0.752 20 0 GCADLP C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@@H+](C)CCO1 ZINC000635710956 1187248190 /nfs/dbraw/zinc/24/81/90/1187248190.db2.gz AIPHQLDLZIUGHU-SUMWQHHRSA-N 2 2 375.473 0.752 20 0 GCADLP CN(C(=O)C(=O)NCCCc1ccco1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000658539882 1187332947 /nfs/dbraw/zinc/33/29/47/1187332947.db2.gz KAKIKQXFMAJSPM-KRWDZBQOSA-N 2 2 376.501 0.955 20 0 GCADLP CN(C(=O)C(=O)NCCCc1ccco1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000658539882 1187332952 /nfs/dbraw/zinc/33/29/52/1187332952.db2.gz KAKIKQXFMAJSPM-KRWDZBQOSA-N 2 2 376.501 0.955 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000685734370 1187382280 /nfs/dbraw/zinc/38/22/80/1187382280.db2.gz KLLZNCSMHAHKGS-OAHLLOKOSA-N 2 2 398.504 0.389 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000685734370 1187382289 /nfs/dbraw/zinc/38/22/89/1187382289.db2.gz KLLZNCSMHAHKGS-OAHLLOKOSA-N 2 2 398.504 0.389 20 0 GCADLP O=C(CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000375799905 1187421106 /nfs/dbraw/zinc/42/11/06/1187421106.db2.gz XBDLGUILDSZRLO-RBUKOAKNSA-N 2 2 392.569 0.923 20 0 GCADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000375808638 1187426706 /nfs/dbraw/zinc/42/67/06/1187426706.db2.gz DGGJJBBLAPNXJB-HKUYNNGSSA-N 2 2 394.560 0.746 20 0 GCADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000375808638 1187426711 /nfs/dbraw/zinc/42/67/11/1187426711.db2.gz DGGJJBBLAPNXJB-HKUYNNGSSA-N 2 2 394.560 0.746 20 0 GCADLP CCCC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000612289471 1187451465 /nfs/dbraw/zinc/45/14/65/1187451465.db2.gz XJZUUPOUBJVHDA-KZNAEPCWSA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000612289471 1187451468 /nfs/dbraw/zinc/45/14/68/1187451468.db2.gz XJZUUPOUBJVHDA-KZNAEPCWSA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000612289471 1187451470 /nfs/dbraw/zinc/45/14/70/1187451470.db2.gz XJZUUPOUBJVHDA-KZNAEPCWSA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000612289471 1187451472 /nfs/dbraw/zinc/45/14/72/1187451472.db2.gz XJZUUPOUBJVHDA-KZNAEPCWSA-N 2 2 398.548 0.219 20 0 GCADLP C[NH+]1CCC(O)(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000685761788 1187452026 /nfs/dbraw/zinc/45/20/26/1187452026.db2.gz BLHLCWXBNJAYMP-KRWDZBQOSA-N 2 2 391.516 0.590 20 0 GCADLP C[NH+]1CCC(O)(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000685761788 1187452032 /nfs/dbraw/zinc/45/20/32/1187452032.db2.gz BLHLCWXBNJAYMP-KRWDZBQOSA-N 2 2 391.516 0.590 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCN(C)CC1 ZINC000612337293 1187465426 /nfs/dbraw/zinc/46/54/26/1187465426.db2.gz PRAWFGDQEMIOQZ-MOPGFXCFSA-N 2 2 381.565 0.765 20 0 GCADLP CC(C)[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)[NH+]1CCN(C)CC1 ZINC000612336675 1187465866 /nfs/dbraw/zinc/46/58/66/1187465866.db2.gz ZNCNNYUHDFFTLX-PMACEKPBSA-N 2 2 396.624 0.830 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612444680 1187492453 /nfs/dbraw/zinc/49/24/53/1187492453.db2.gz PSSJQRWHQUGGNC-KRWDZBQOSA-N 2 2 380.533 0.690 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612444680 1187492455 /nfs/dbraw/zinc/49/24/55/1187492455.db2.gz PSSJQRWHQUGGNC-KRWDZBQOSA-N 2 2 380.533 0.690 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000612485091 1187505569 /nfs/dbraw/zinc/50/55/69/1187505569.db2.gz KINMOFDMGVYVPX-GOSISDBHSA-N 3 2 395.592 0.707 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612485091 1187505572 /nfs/dbraw/zinc/50/55/72/1187505572.db2.gz KINMOFDMGVYVPX-GOSISDBHSA-N 3 2 395.592 0.707 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000612595163 1187535534 /nfs/dbraw/zinc/53/55/34/1187535534.db2.gz STYIUPAIWNDHKV-SJLPKXTDSA-N 2 2 388.468 0.431 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000612596672 1187536716 /nfs/dbraw/zinc/53/67/16/1187536716.db2.gz RSUUCALZPVIGHF-NXHRZFHOSA-N 2 2 389.500 0.662 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC001024626663 1187548295 /nfs/dbraw/zinc/54/82/95/1187548295.db2.gz OILAQMBDDYTVDI-KLZNWCGWSA-N 2 2 385.468 0.366 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)CC[N@H+]1C ZINC001024626663 1187548298 /nfs/dbraw/zinc/54/82/98/1187548298.db2.gz OILAQMBDDYTVDI-KLZNWCGWSA-N 2 2 385.468 0.366 20 0 GCADLP CC[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000413881770 1187558567 /nfs/dbraw/zinc/55/85/67/1187558567.db2.gz PRPNQJZZGYUBKE-OALUTQOASA-N 2 2 396.576 0.789 20 0 GCADLP CC[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000413881770 1187558569 /nfs/dbraw/zinc/55/85/69/1187558569.db2.gz PRPNQJZZGYUBKE-OALUTQOASA-N 2 2 396.576 0.789 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000670782889 1187568829 /nfs/dbraw/zinc/56/88/29/1187568829.db2.gz OOGCILGPOFSLNR-MRXNPFEDSA-N 3 2 377.533 0.014 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000670782889 1187568834 /nfs/dbraw/zinc/56/88/34/1187568834.db2.gz OOGCILGPOFSLNR-MRXNPFEDSA-N 3 2 377.533 0.014 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+](C)C1 ZINC000413904692 1187576838 /nfs/dbraw/zinc/57/68/38/1187576838.db2.gz PWCVMCAADBUMGE-PKOBYXMFSA-N 2 2 389.496 0.748 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+](C)C1 ZINC000413904692 1187576842 /nfs/dbraw/zinc/57/68/42/1187576842.db2.gz PWCVMCAADBUMGE-PKOBYXMFSA-N 2 2 389.496 0.748 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000413917673 1187587464 /nfs/dbraw/zinc/58/74/64/1187587464.db2.gz KISUKGHVLAWSDX-RBUKOAKNSA-N 2 2 388.512 0.538 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000413917673 1187587469 /nfs/dbraw/zinc/58/74/69/1187587469.db2.gz KISUKGHVLAWSDX-RBUKOAKNSA-N 2 2 388.512 0.538 20 0 GCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000892513751 1187591997 /nfs/dbraw/zinc/59/19/97/1187591997.db2.gz JTWJHLHQIMUKNC-QGZVFWFLSA-N 2 2 390.557 0.824 20 0 GCADLP CCn1nccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000612823170 1187598016 /nfs/dbraw/zinc/59/80/16/1187598016.db2.gz APTVIQBEUCZDRW-KRWDZBQOSA-N 2 2 376.505 0.146 20 0 GCADLP CCn1nccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000612823170 1187598022 /nfs/dbraw/zinc/59/80/22/1187598022.db2.gz APTVIQBEUCZDRW-KRWDZBQOSA-N 2 2 376.505 0.146 20 0 GCADLP C[C@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000133473832 1187605239 /nfs/dbraw/zinc/60/52/39/1187605239.db2.gz KKOCKMZJZIWNGZ-AZUAARDMSA-N 2 2 389.544 0.823 20 0 GCADLP C[C@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000133473832 1187605242 /nfs/dbraw/zinc/60/52/42/1187605242.db2.gz KKOCKMZJZIWNGZ-AZUAARDMSA-N 2 2 389.544 0.823 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H]1CCO ZINC000658846624 1187641411 /nfs/dbraw/zinc/64/14/11/1187641411.db2.gz YPEVVFCNQCIAMX-AEFFLSMTSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1CCO ZINC000658846624 1187641416 /nfs/dbraw/zinc/64/14/16/1187641416.db2.gz YPEVVFCNQCIAMX-AEFFLSMTSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000376182688 1187655611 /nfs/dbraw/zinc/65/56/11/1187655611.db2.gz SVLPGJCBVWPPRA-MSOLQXFVSA-N 2 2 394.560 0.794 20 0 GCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000376182688 1187655617 /nfs/dbraw/zinc/65/56/17/1187655617.db2.gz SVLPGJCBVWPPRA-MSOLQXFVSA-N 2 2 394.560 0.794 20 0 GCADLP CC(=O)c1cn(C2CN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)nn1 ZINC000892521953 1187664883 /nfs/dbraw/zinc/66/48/83/1187664883.db2.gz KPAPGOSGZOSERD-UHFFFAOYSA-N 2 2 389.504 0.606 20 0 GCADLP Cn1[nH]c(=O)c2c1CN(C(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)CC2 ZINC000892522291 1187666140 /nfs/dbraw/zinc/66/61/40/1187666140.db2.gz WJFHKLMUNMNCCU-UHFFFAOYSA-N 2 2 376.505 0.752 20 0 GCADLP C[NH+](C)[C@@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000431770560 1187701797 /nfs/dbraw/zinc/70/17/97/1187701797.db2.gz GEGLQKJAAZJMKQ-OALUTQOASA-N 2 2 388.512 0.729 20 0 GCADLP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000431770559 1187701873 /nfs/dbraw/zinc/70/18/73/1187701873.db2.gz GEGLQKJAAZJMKQ-MOPGFXCFSA-N 2 2 388.512 0.729 20 0 GCADLP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000644159351 1187729797 /nfs/dbraw/zinc/72/97/97/1187729797.db2.gz DNAANCNGLFTPKE-CQSZACIVSA-N 2 2 396.442 0.207 20 0 GCADLP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000644159351 1187729799 /nfs/dbraw/zinc/72/97/99/1187729799.db2.gz DNAANCNGLFTPKE-CQSZACIVSA-N 2 2 396.442 0.207 20 0 GCADLP CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)[NH+]1CCCC1 ZINC001025000206 1187741658 /nfs/dbraw/zinc/74/16/58/1187741658.db2.gz CFUHZUDRWJKPFD-RRCSTGOVSA-N 2 2 375.473 0.076 20 0 GCADLP C[N@H+]1C[C@H]2CN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]2C1 ZINC000892545697 1187750190 /nfs/dbraw/zinc/75/01/90/1187750190.db2.gz XBABSAGXVFZXOI-CALCHBBNSA-N 2 2 386.500 0.323 20 0 GCADLP C[N@@H+]1C[C@H]2CN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]2C1 ZINC000892545697 1187750192 /nfs/dbraw/zinc/75/01/92/1187750192.db2.gz XBABSAGXVFZXOI-CALCHBBNSA-N 2 2 386.500 0.323 20 0 GCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000376294037 1187752119 /nfs/dbraw/zinc/75/21/19/1187752119.db2.gz QBXNJAOJDKJGFG-MSOLQXFVSA-N 2 2 387.532 0.867 20 0 GCADLP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000376314714 1187758787 /nfs/dbraw/zinc/75/87/87/1187758787.db2.gz CVFRQPMTCNYWSY-VUCRHFMTSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000376314714 1187758791 /nfs/dbraw/zinc/75/87/91/1187758791.db2.gz CVFRQPMTCNYWSY-VUCRHFMTSA-N 2 2 395.548 0.478 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000332745144 1187760114 /nfs/dbraw/zinc/76/01/14/1187760114.db2.gz FUZIECJTHWECSF-DOTOQJQBSA-N 2 2 388.516 0.044 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000332745144 1187760118 /nfs/dbraw/zinc/76/01/18/1187760118.db2.gz FUZIECJTHWECSF-DOTOQJQBSA-N 2 2 388.516 0.044 20 0 GCADLP CC(C)Nc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376401434 1187815548 /nfs/dbraw/zinc/81/55/48/1187815548.db2.gz BHEISCXXIVYJQL-ZBFHGGJFSA-N 2 2 375.521 0.393 20 0 GCADLP CC(C)Nc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376401434 1187815552 /nfs/dbraw/zinc/81/55/52/1187815552.db2.gz BHEISCXXIVYJQL-ZBFHGGJFSA-N 2 2 375.521 0.393 20 0 GCADLP CC(C)Nc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376401431 1187815711 /nfs/dbraw/zinc/81/57/11/1187815711.db2.gz BHEISCXXIVYJQL-GDBMZVCRSA-N 2 2 375.521 0.393 20 0 GCADLP CC(C)Nc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376401431 1187815716 /nfs/dbraw/zinc/81/57/16/1187815716.db2.gz BHEISCXXIVYJQL-GDBMZVCRSA-N 2 2 375.521 0.393 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000892611556 1187827220 /nfs/dbraw/zinc/82/72/20/1187827220.db2.gz PACNQVJQNRKBNQ-RTBURBONSA-N 2 2 376.501 0.955 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000892611556 1187827229 /nfs/dbraw/zinc/82/72/29/1187827229.db2.gz PACNQVJQNRKBNQ-RTBURBONSA-N 2 2 376.501 0.955 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC2(CCC2)O1 ZINC000647558313 1187883867 /nfs/dbraw/zinc/88/38/67/1187883867.db2.gz CTLIKUGFSWIQFQ-WMZOPIPTSA-N 2 2 392.544 0.783 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC2(CCC2)O1 ZINC000647558313 1187883870 /nfs/dbraw/zinc/88/38/70/1187883870.db2.gz CTLIKUGFSWIQFQ-WMZOPIPTSA-N 2 2 392.544 0.783 20 0 GCADLP CC[NH+](CC)CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000636441882 1187888897 /nfs/dbraw/zinc/88/88/97/1187888897.db2.gz WCXWWVASNRDDLG-UHFFFAOYSA-N 2 2 379.530 0.709 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423498016 1187915680 /nfs/dbraw/zinc/91/56/80/1187915680.db2.gz AWZCDMCSUMUZDW-ZWKOTPCHSA-N 3 2 381.565 0.460 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423498016 1187915683 /nfs/dbraw/zinc/91/56/83/1187915683.db2.gz AWZCDMCSUMUZDW-ZWKOTPCHSA-N 3 2 381.565 0.460 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC[N@@H+]1CC(C)(C)O ZINC000659256673 1187921745 /nfs/dbraw/zinc/92/17/45/1187921745.db2.gz RFPUEKMKIDEGQQ-HZPDHXFCSA-N 2 2 377.489 0.350 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC[N@H+]1CC(C)(C)O ZINC000659256673 1187921747 /nfs/dbraw/zinc/92/17/47/1187921747.db2.gz RFPUEKMKIDEGQQ-HZPDHXFCSA-N 2 2 377.489 0.350 20 0 GCADLP CN(C(=O)C(=O)N1CCOC2(CCCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345031 1187945319 /nfs/dbraw/zinc/94/53/19/1187945319.db2.gz RWGXEWWSXROLIV-SFHVURJKSA-N 2 2 392.544 0.785 20 0 GCADLP CN(C(=O)C(=O)N1CCOC2(CCCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345031 1187945321 /nfs/dbraw/zinc/94/53/21/1187945321.db2.gz RWGXEWWSXROLIV-SFHVURJKSA-N 2 2 392.544 0.785 20 0 GCADLP CN(CCOC(C)(C)C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344778 1187945917 /nfs/dbraw/zinc/94/59/17/1187945917.db2.gz KJLMEXRDEZPPML-KRWDZBQOSA-N 2 2 382.549 0.887 20 0 GCADLP CN(CCOC(C)(C)C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344778 1187945919 /nfs/dbraw/zinc/94/59/19/1187945919.db2.gz KJLMEXRDEZPPML-KRWDZBQOSA-N 2 2 382.549 0.887 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344814 1187945975 /nfs/dbraw/zinc/94/59/75/1187945975.db2.gz LCUGUWWOFUFGAJ-QZTJIDSGSA-N 2 2 380.533 0.497 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344814 1187945980 /nfs/dbraw/zinc/94/59/80/1187945980.db2.gz LCUGUWWOFUFGAJ-QZTJIDSGSA-N 2 2 380.533 0.497 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344784 1187946584 /nfs/dbraw/zinc/94/65/84/1187946584.db2.gz KQXDZUBIZRMBLL-OALUTQOASA-N 3 2 391.560 0.310 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344784 1187946586 /nfs/dbraw/zinc/94/65/86/1187946586.db2.gz KQXDZUBIZRMBLL-OALUTQOASA-N 3 2 391.560 0.310 20 0 GCADLP CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344799 1187946777 /nfs/dbraw/zinc/94/67/77/1187946777.db2.gz KVYRAOOMFXRGFK-WDSOQIARSA-N 2 2 394.560 0.623 20 0 GCADLP CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344799 1187946778 /nfs/dbraw/zinc/94/67/78/1187946778.db2.gz KVYRAOOMFXRGFK-WDSOQIARSA-N 2 2 394.560 0.623 20 0 GCADLP CN(C[C@@H]1CCCCO1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344589 1187947181 /nfs/dbraw/zinc/94/71/81/1187947181.db2.gz HQRXHWIQTFHNMJ-ROUUACIJSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C[C@@H]1CCCCO1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344589 1187947182 /nfs/dbraw/zinc/94/71/82/1187947182.db2.gz HQRXHWIQTFHNMJ-ROUUACIJSA-N 2 2 380.533 0.641 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)S1 ZINC000659344594 1187947203 /nfs/dbraw/zinc/94/72/03/1187947203.db2.gz ISSKCFOYLPEOCN-BFYDXBDKSA-N 2 2 382.574 0.966 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)S1 ZINC000659344594 1187947206 /nfs/dbraw/zinc/94/72/06/1187947206.db2.gz ISSKCFOYLPEOCN-BFYDXBDKSA-N 2 2 382.574 0.966 20 0 GCADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659551595 1187971057 /nfs/dbraw/zinc/97/10/57/1187971057.db2.gz WXQJLBNNXCYPCI-MOPGFXCFSA-N 2 2 375.517 0.480 20 0 GCADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659551595 1187971062 /nfs/dbraw/zinc/97/10/62/1187971062.db2.gz WXQJLBNNXCYPCI-MOPGFXCFSA-N 2 2 375.517 0.480 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000659685307 1187996281 /nfs/dbraw/zinc/99/62/81/1187996281.db2.gz LHMUQDGZYQSING-AWEZNQCLSA-N 2 2 381.908 0.302 20 0 GCADLP C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000415347057 1188055724 /nfs/dbraw/zinc/05/57/24/1188055724.db2.gz IMUVARPVHHSOML-AEFFLSMTSA-N 2 2 387.528 0.877 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000415424053 1188075415 /nfs/dbraw/zinc/07/54/15/1188075415.db2.gz AETURBFTLDMATH-INIZCTEOSA-N 2 2 399.495 0.732 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000415424056 1188075602 /nfs/dbraw/zinc/07/56/02/1188075602.db2.gz AETURBFTLDMATH-MRXNPFEDSA-N 2 2 399.495 0.732 20 0 GCADLP C[C@@](O)(C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC000644521035 1188079148 /nfs/dbraw/zinc/07/91/48/1188079148.db2.gz UVBVLDDXDMNACX-CQSZACIVSA-N 2 2 396.435 0.436 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000415468711 1188087837 /nfs/dbraw/zinc/08/78/37/1188087837.db2.gz WRIDMMIYKZPXSG-SFHVURJKSA-N 2 2 375.517 0.862 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000415539095 1188101226 /nfs/dbraw/zinc/10/12/26/1188101226.db2.gz LGDHMQBUYAQXSJ-HZPDHXFCSA-N 2 2 392.500 0.587 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCOC[C@@H]3C[C@@H]3CCOC3)C2)CC1 ZINC000893024900 1188103991 /nfs/dbraw/zinc/10/39/91/1188103991.db2.gz WXPWBWMZMYBNRK-LNLFQRSKSA-N 2 2 380.533 0.992 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCOC[C@@H]3C[C@@H]3CCOC3)C2)CC1 ZINC000893024900 1188103992 /nfs/dbraw/zinc/10/39/92/1188103992.db2.gz WXPWBWMZMYBNRK-LNLFQRSKSA-N 2 2 380.533 0.992 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4cc(=O)[nH]cn4)C3)C2)CC1 ZINC000893024427 1188105421 /nfs/dbraw/zinc/10/54/21/1188105421.db2.gz VFRFEUUKIBAHOF-LSDHHAIUSA-N 2 2 389.504 0.229 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4cc(=O)[nH]cn4)C3)C2)CC1 ZINC000893024427 1188105424 /nfs/dbraw/zinc/10/54/24/1188105424.db2.gz VFRFEUUKIBAHOF-LSDHHAIUSA-N 2 2 389.504 0.229 20 0 GCADLP COC(=O)c1cc(C2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)[nH]n1 ZINC000893023430 1188105559 /nfs/dbraw/zinc/10/55/59/1188105559.db2.gz QNVYKUSPZULCRT-CQSZACIVSA-N 2 2 390.488 0.474 20 0 GCADLP COC(=O)c1cc(C2CN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)[nH]n1 ZINC000893023430 1188105562 /nfs/dbraw/zinc/10/55/62/1188105562.db2.gz QNVYKUSPZULCRT-CQSZACIVSA-N 2 2 390.488 0.474 20 0 GCADLP CC(=O)c1cn(C2CN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)nn1 ZINC000893023906 1188105964 /nfs/dbraw/zinc/10/59/64/1188105964.db2.gz ROWNXJAFYVSRPC-AWEZNQCLSA-N 2 2 375.477 0.216 20 0 GCADLP CC(=O)c1cn(C2CN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)nn1 ZINC000893023906 1188105967 /nfs/dbraw/zinc/10/59/67/1188105967.db2.gz ROWNXJAFYVSRPC-AWEZNQCLSA-N 2 2 375.477 0.216 20 0 GCADLP CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000377740894 1188128475 /nfs/dbraw/zinc/12/84/75/1188128475.db2.gz HLRFVFXYHRFLSR-IEBWSBKVSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@H]1C[NH3+] ZINC000415837330 1189376063 /nfs/dbraw/zinc/37/60/63/1189376063.db2.gz CMIMELPHXNPLEV-FUHWJXTLSA-N 2 2 387.528 0.816 20 0 GCADLP [NH3+]CCOc1ccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000415940116 1189408394 /nfs/dbraw/zinc/40/83/94/1189408394.db2.gz RYVQJOJSUQPXIM-UHFFFAOYSA-N 2 2 385.472 0.758 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C2)CC1 ZINC000651322345 1189433911 /nfs/dbraw/zinc/43/39/11/1189433911.db2.gz NSVOVGYTWHUJLH-WMZOPIPTSA-N 2 2 392.475 0.201 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C2)CC1 ZINC000651322345 1189433915 /nfs/dbraw/zinc/43/39/15/1189433915.db2.gz NSVOVGYTWHUJLH-WMZOPIPTSA-N 2 2 392.475 0.201 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000378179496 1189435932 /nfs/dbraw/zinc/43/59/32/1189435932.db2.gz JKEZAFIOWULEMR-QGZVFWFLSA-N 2 2 387.484 0.353 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000378179496 1189435936 /nfs/dbraw/zinc/43/59/36/1189435936.db2.gz JKEZAFIOWULEMR-QGZVFWFLSA-N 2 2 387.484 0.353 20 0 GCADLP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000363837292 1189515183 /nfs/dbraw/zinc/51/51/83/1189515183.db2.gz XABWKKFNLLLTGT-OALUTQOASA-N 2 2 381.565 0.955 20 0 GCADLP COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000378619406 1189552396 /nfs/dbraw/zinc/55/23/96/1189552396.db2.gz VICWQLHOAYROIB-QGZVFWFLSA-N 2 2 399.499 0.911 20 0 GCADLP COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000378619406 1189552399 /nfs/dbraw/zinc/55/23/99/1189552399.db2.gz VICWQLHOAYROIB-QGZVFWFLSA-N 2 2 399.499 0.911 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccnn3C(C)(C)C)C2)CC1 ZINC000363910967 1189571209 /nfs/dbraw/zinc/57/12/09/1189571209.db2.gz QVLXUWHAECMSDS-CQSZACIVSA-N 2 2 376.505 0.861 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccnn3C(C)(C)C)C2)CC1 ZINC000363910967 1189571211 /nfs/dbraw/zinc/57/12/11/1189571211.db2.gz QVLXUWHAECMSDS-CQSZACIVSA-N 2 2 376.505 0.861 20 0 GCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000363912207 1189572003 /nfs/dbraw/zinc/57/20/03/1189572003.db2.gz YZGWSLVYZQMIMY-MSOLQXFVSA-N 2 2 381.565 0.765 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[C@@H](C)O1 ZINC000416940950 1189596445 /nfs/dbraw/zinc/59/64/45/1189596445.db2.gz JOVGYHHMSDDNRB-ZACQAIPSSA-N 2 2 381.521 0.092 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000416981644 1189605206 /nfs/dbraw/zinc/60/52/06/1189605206.db2.gz CVLIDXHMDLGZQQ-IBGZPJMESA-N 2 2 375.517 0.612 20 0 GCADLP O=C(NCCC[NH2+]Cc1cccnc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417159665 1189626306 /nfs/dbraw/zinc/62/63/06/1189626306.db2.gz OVQNTAIAKGZYJO-UHFFFAOYSA-N 2 2 398.515 0.473 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584711421 1189635460 /nfs/dbraw/zinc/63/54/60/1189635460.db2.gz NTLUPALXGWVFSU-SQNIBIBYSA-N 2 2 380.533 0.737 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584711421 1189635462 /nfs/dbraw/zinc/63/54/62/1189635462.db2.gz NTLUPALXGWVFSU-SQNIBIBYSA-N 2 2 380.533 0.737 20 0 GCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417321200 1189646729 /nfs/dbraw/zinc/64/67/29/1189646729.db2.gz SASQHYUNYNBNRY-SFHVURJKSA-N 2 2 392.500 0.575 20 0 GCADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612878162 1189649917 /nfs/dbraw/zinc/64/99/17/1189649917.db2.gz DPXAJCSKNUPORG-JKSUJKDBSA-N 2 2 391.520 0.039 20 0 GCADLP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612878162 1189649922 /nfs/dbraw/zinc/64/99/22/1189649922.db2.gz DPXAJCSKNUPORG-JKSUJKDBSA-N 2 2 391.520 0.039 20 0 GCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417362184 1189653478 /nfs/dbraw/zinc/65/34/78/1189653478.db2.gz DMBAPEGMVXBRKE-IAGOWNOFSA-N 2 2 388.516 0.889 20 0 GCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCC1=CC[NH2+]CC1 ZINC000417368112 1189654608 /nfs/dbraw/zinc/65/46/08/1189654608.db2.gz NMUWDURVFKKRCW-UHFFFAOYSA-N 2 2 386.500 0.729 20 0 GCADLP [NH3+]C[C@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000417370574 1189654728 /nfs/dbraw/zinc/65/47/28/1189654728.db2.gz UCCXRHQBLRFWKU-KRWDZBQOSA-N 2 2 388.516 0.937 20 0 GCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000925608666 1189679667 /nfs/dbraw/zinc/67/96/67/1189679667.db2.gz HFHBLMFUFYTSPW-QGZVFWFLSA-N 2 2 395.548 0.613 20 0 GCADLP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417621814 1189690233 /nfs/dbraw/zinc/69/02/33/1189690233.db2.gz LHBSHWIRANZFPZ-GJZGRUSLSA-N 2 2 377.493 0.319 20 0 GCADLP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417621814 1189690235 /nfs/dbraw/zinc/69/02/35/1189690235.db2.gz LHBSHWIRANZFPZ-GJZGRUSLSA-N 2 2 377.493 0.319 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417613687 1189691171 /nfs/dbraw/zinc/69/11/71/1189691171.db2.gz AIUZJPWECKHQGE-CVEARBPZSA-N 2 2 391.520 0.579 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417613687 1189691173 /nfs/dbraw/zinc/69/11/73/1189691173.db2.gz AIUZJPWECKHQGE-CVEARBPZSA-N 2 2 391.520 0.579 20 0 GCADLP C[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]1 ZINC000417626822 1189692870 /nfs/dbraw/zinc/69/28/70/1189692870.db2.gz RRAAGVOFGQFXMU-HOTGVXAUSA-N 2 2 389.504 0.285 20 0 GCADLP C[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]1 ZINC000417626822 1189692872 /nfs/dbraw/zinc/69/28/72/1189692872.db2.gz RRAAGVOFGQFXMU-HOTGVXAUSA-N 2 2 389.504 0.285 20 0 GCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCC[NH2+]CC1 ZINC000417628045 1189693207 /nfs/dbraw/zinc/69/32/07/1189693207.db2.gz UABHNZDJSMCBKP-INIZCTEOSA-N 2 2 389.504 0.287 20 0 GCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCC[NH2+]CC1 ZINC000417628045 1189693210 /nfs/dbraw/zinc/69/32/10/1189693210.db2.gz UABHNZDJSMCBKP-INIZCTEOSA-N 2 2 389.504 0.287 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1C ZINC000660260613 1189695082 /nfs/dbraw/zinc/69/50/82/1189695082.db2.gz AGTBDYHUYGCIDI-FGTMMUONSA-N 2 2 380.533 0.641 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1C ZINC000660260613 1189695085 /nfs/dbraw/zinc/69/50/85/1189695085.db2.gz AGTBDYHUYGCIDI-FGTMMUONSA-N 2 2 380.533 0.641 20 0 GCADLP C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000150728585 1189714976 /nfs/dbraw/zinc/71/49/76/1189714976.db2.gz DNKCSEWGEUPORR-INIZCTEOSA-N 2 2 398.511 0.946 20 0 GCADLP C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000150728585 1189714980 /nfs/dbraw/zinc/71/49/80/1189714980.db2.gz DNKCSEWGEUPORR-INIZCTEOSA-N 2 2 398.511 0.946 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418288750 1189746873 /nfs/dbraw/zinc/74/68/73/1189746873.db2.gz BPRUMTUMENBIRE-IBGZPJMESA-N 2 2 389.544 0.824 20 0 GCADLP COc1ccccc1C[NH+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418288217 1189747593 /nfs/dbraw/zinc/74/75/93/1189747593.db2.gz MCOOZYSGRANAEL-UHFFFAOYSA-N 2 2 375.517 0.818 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000500263602 1189753480 /nfs/dbraw/zinc/75/34/80/1189753480.db2.gz JSLUGUJSKDHYFY-KRWDZBQOSA-N 2 2 387.484 0.910 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCN1C1CC[NH+](C)CC1 ZINC000500292609 1189761710 /nfs/dbraw/zinc/76/17/10/1189761710.db2.gz TXQZTQKBLFJJLX-MRXNPFEDSA-N 2 2 398.511 0.577 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000364372564 1189772016 /nfs/dbraw/zinc/77/20/16/1189772016.db2.gz KKSQXTAXWOVNLX-DYVFJYSZSA-N 2 2 393.513 0.001 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000364372564 1189772021 /nfs/dbraw/zinc/77/20/21/1189772021.db2.gz KKSQXTAXWOVNLX-DYVFJYSZSA-N 2 2 393.513 0.001 20 0 GCADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000893354686 1189775845 /nfs/dbraw/zinc/77/58/45/1189775845.db2.gz POZCCXBHQHAVHU-BBWFWOEESA-N 2 2 396.532 0.812 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000431981466 1189828355 /nfs/dbraw/zinc/82/83/55/1189828355.db2.gz OBSHFEQIOBHDMM-JKSUJKDBSA-N 2 2 387.484 0.908 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000431981466 1189828359 /nfs/dbraw/zinc/82/83/59/1189828359.db2.gz OBSHFEQIOBHDMM-JKSUJKDBSA-N 2 2 387.484 0.908 20 0 GCADLP C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000431983908 1189828882 /nfs/dbraw/zinc/82/88/82/1189828882.db2.gz FSKMEOJDDHSBDL-IRXDYDNUSA-N 2 2 383.537 0.387 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000431990893 1189829395 /nfs/dbraw/zinc/82/93/95/1189829395.db2.gz ITPIRMDNCZCNDL-OAHLLOKOSA-N 2 2 387.484 0.766 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000431990893 1189829400 /nfs/dbraw/zinc/82/94/00/1189829400.db2.gz ITPIRMDNCZCNDL-OAHLLOKOSA-N 2 2 387.484 0.766 20 0 GCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660507886 1189869468 /nfs/dbraw/zinc/86/94/68/1189869468.db2.gz CVKKJKINEBLFIM-GOSISDBHSA-N 2 2 382.549 0.890 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000660535881 1189893201 /nfs/dbraw/zinc/89/32/01/1189893201.db2.gz POLQDHGWAUGFHC-MHORFTMASA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000660535881 1189893206 /nfs/dbraw/zinc/89/32/06/1189893206.db2.gz POLQDHGWAUGFHC-MHORFTMASA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000660535881 1189893210 /nfs/dbraw/zinc/89/32/10/1189893210.db2.gz POLQDHGWAUGFHC-MHORFTMASA-N 2 2 380.533 0.497 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000660535881 1189893219 /nfs/dbraw/zinc/89/32/19/1189893219.db2.gz POLQDHGWAUGFHC-MHORFTMASA-N 2 2 380.533 0.497 20 0 GCADLP C[N@H+](CCN1CCCS1(=O)=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511825686 1189900587 /nfs/dbraw/zinc/90/05/87/1189900587.db2.gz PVMQYPWFNBLVLQ-UHFFFAOYSA-N 2 2 380.558 0.772 20 0 GCADLP C[N@@H+](CCN1CCCS1(=O)=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511825686 1189900590 /nfs/dbraw/zinc/90/05/90/1189900590.db2.gz PVMQYPWFNBLVLQ-UHFFFAOYSA-N 2 2 380.558 0.772 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660711768 1189939582 /nfs/dbraw/zinc/93/95/82/1189939582.db2.gz GSBJRGUYBFWSQZ-HKUYNNGSSA-N 3 2 379.549 0.707 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660711768 1189939585 /nfs/dbraw/zinc/93/95/85/1189939585.db2.gz GSBJRGUYBFWSQZ-HKUYNNGSSA-N 3 2 379.549 0.707 20 0 GCADLP CN(C(=O)C(=O)N1CCOCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661066002 1189986125 /nfs/dbraw/zinc/98/61/25/1189986125.db2.gz VHUGPJWIHBGTJC-ZWKOTPCHSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)C(=O)N1CCOCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661066002 1189986126 /nfs/dbraw/zinc/98/61/26/1189986126.db2.gz VHUGPJWIHBGTJC-ZWKOTPCHSA-N 2 2 380.533 0.641 20 0 GCADLP C[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662751817 1190017984 /nfs/dbraw/zinc/01/79/84/1190017984.db2.gz DPMNRLRPWZGFEQ-CYBMUJFWSA-N 2 2 388.447 0.607 20 0 GCADLP CN(C(=O)C1([NH3+])CC2(CCC2)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662791964 1190032219 /nfs/dbraw/zinc/03/22/19/1190032219.db2.gz UIGBMZGLPINHKO-UHFFFAOYSA-N 3 2 391.560 0.345 20 0 GCADLP CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000663946432 1193735305 /nfs/dbraw/zinc/73/53/05/1193735305.db2.gz OUWCRNNENKBATJ-HNNXBMFYSA-N 2 2 399.561 0.838 20 0 GCADLP CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000663946432 1193735306 /nfs/dbraw/zinc/73/53/06/1193735306.db2.gz OUWCRNNENKBATJ-HNNXBMFYSA-N 2 2 399.561 0.838 20 0 GCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000429856250 1193756382 /nfs/dbraw/zinc/75/63/82/1193756382.db2.gz XHWDJKAEMWZZOG-UHFFFAOYSA-N 2 2 379.424 1.397 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)CO1 ZINC000664051743 1193775554 /nfs/dbraw/zinc/77/55/54/1193775554.db2.gz QWSWPEVEBZPZLQ-JKSUJKDBSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)CO1 ZINC000664051743 1193775559 /nfs/dbraw/zinc/77/55/59/1193775559.db2.gz QWSWPEVEBZPZLQ-JKSUJKDBSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270066 1193778037 /nfs/dbraw/zinc/77/80/37/1193778037.db2.gz COXAQKQGEDPNGA-YOEHRIQHSA-N 2 2 385.468 0.777 20 0 GCADLP Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)[nH+]c1 ZINC000419302239 1193795990 /nfs/dbraw/zinc/79/59/90/1193795990.db2.gz POAFLFSLXOUAOK-GDBMZVCRSA-N 2 2 389.500 0.704 20 0 GCADLP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571301126 1193798930 /nfs/dbraw/zinc/79/89/30/1193798930.db2.gz RUDVUIYZMAQUJZ-AEFFLSMTSA-N 2 2 389.500 0.007 20 0 GCADLP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571301126 1193798935 /nfs/dbraw/zinc/79/89/35/1193798935.db2.gz RUDVUIYZMAQUJZ-AEFFLSMTSA-N 2 2 389.500 0.007 20 0 GCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419305821 1193800044 /nfs/dbraw/zinc/80/00/44/1193800044.db2.gz XJVCZQJXVXJRGC-UHFFFAOYSA-N 3 2 398.511 0.417 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000549890583 1193802401 /nfs/dbraw/zinc/80/24/01/1193802401.db2.gz YJUIZBVLSOPUJF-UHFFFAOYSA-N 2 2 399.495 0.663 20 0 GCADLP CN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000333138446 1193817703 /nfs/dbraw/zinc/81/77/03/1193817703.db2.gz BZBCTXOVISKYOX-QRVBRYPASA-N 3 2 381.565 0.953 20 0 GCADLP CN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000333138446 1193817705 /nfs/dbraw/zinc/81/77/05/1193817705.db2.gz BZBCTXOVISKYOX-QRVBRYPASA-N 3 2 381.565 0.953 20 0 GCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000419326965 1193820665 /nfs/dbraw/zinc/82/06/65/1193820665.db2.gz CNBYAQNHXOQASR-QGZVFWFLSA-N 2 2 387.528 0.261 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419381629 1193883480 /nfs/dbraw/zinc/88/34/80/1193883480.db2.gz CPXZJUBTTNTDMD-YESZJQIVSA-N 2 2 394.903 0.681 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419381629 1193883489 /nfs/dbraw/zinc/88/34/89/1193883489.db2.gz CPXZJUBTTNTDMD-YESZJQIVSA-N 2 2 394.903 0.681 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419382575 1193888886 /nfs/dbraw/zinc/88/88/86/1193888886.db2.gz DKIHRMMTLSLYSQ-IRXDYDNUSA-N 2 2 396.919 0.896 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419382575 1193888890 /nfs/dbraw/zinc/88/88/90/1193888890.db2.gz DKIHRMMTLSLYSQ-IRXDYDNUSA-N 2 2 396.919 0.896 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419382576 1193889101 /nfs/dbraw/zinc/88/91/01/1193889101.db2.gz DKIHRMMTLSLYSQ-SJORKVTESA-N 2 2 396.919 0.896 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419382576 1193889108 /nfs/dbraw/zinc/88/91/08/1193889108.db2.gz DKIHRMMTLSLYSQ-SJORKVTESA-N 2 2 396.919 0.896 20 0 GCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419392775 1193918054 /nfs/dbraw/zinc/91/80/54/1193918054.db2.gz PAMOPAGTKVKCCT-WQVCFCJDSA-N 2 2 382.892 0.634 20 0 GCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419392775 1193918055 /nfs/dbraw/zinc/91/80/55/1193918055.db2.gz PAMOPAGTKVKCCT-WQVCFCJDSA-N 2 2 382.892 0.634 20 0 GCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419392772 1193918124 /nfs/dbraw/zinc/91/81/24/1193918124.db2.gz PAMOPAGTKVKCCT-KCXAZCMYSA-N 2 2 382.892 0.634 20 0 GCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419392772 1193918127 /nfs/dbraw/zinc/91/81/27/1193918127.db2.gz PAMOPAGTKVKCCT-KCXAZCMYSA-N 2 2 382.892 0.634 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419392534 1193918767 /nfs/dbraw/zinc/91/87/67/1193918767.db2.gz OMPHVLJHRVXEMV-COXVUDFISA-N 2 2 394.903 0.648 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419392534 1193918768 /nfs/dbraw/zinc/91/87/68/1193918768.db2.gz OMPHVLJHRVXEMV-COXVUDFISA-N 2 2 394.903 0.648 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419392543 1193919354 /nfs/dbraw/zinc/91/93/54/1193919354.db2.gz OMPHVLJHRVXEMV-XKQJLSEDSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419392543 1193919357 /nfs/dbraw/zinc/91/93/57/1193919357.db2.gz OMPHVLJHRVXEMV-XKQJLSEDSA-N 2 2 394.903 0.648 20 0 GCADLP COc1cccc([C@@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)[NH+](C)C)c1 ZINC000262318335 1193944986 /nfs/dbraw/zinc/94/49/86/1193944986.db2.gz CNFZTPGKJZPPEV-MRXNPFEDSA-N 2 2 383.514 0.581 20 0 GCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]1 ZINC000262362722 1193946158 /nfs/dbraw/zinc/94/61/58/1193946158.db2.gz IXGAMCNABJQMAM-YESZJQIVSA-N 2 2 388.516 0.786 20 0 GCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]1 ZINC000262362722 1193946159 /nfs/dbraw/zinc/94/61/59/1193946159.db2.gz IXGAMCNABJQMAM-YESZJQIVSA-N 2 2 388.516 0.786 20 0 GCADLP C[NH2+][C@H](C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000262435610 1193948271 /nfs/dbraw/zinc/94/82/71/1193948271.db2.gz UGYKFKBYOIWOAT-SFHVURJKSA-N 2 2 384.484 0.385 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419393905 1193952482 /nfs/dbraw/zinc/95/24/82/1193952482.db2.gz RBBQTAIEDPDWTQ-COXVUDFISA-N 2 2 394.903 0.635 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419393905 1193952483 /nfs/dbraw/zinc/95/24/83/1193952483.db2.gz RBBQTAIEDPDWTQ-COXVUDFISA-N 2 2 394.903 0.635 20 0 GCADLP COc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc(OC)c1OCC(N)=O ZINC000513530177 1193961278 /nfs/dbraw/zinc/96/12/78/1193961278.db2.gz IVMILXPTMMEGBQ-UHFFFAOYSA-N 2 2 381.473 0.456 20 0 GCADLP COc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc(OC)c1OCC(N)=O ZINC000513530177 1193961279 /nfs/dbraw/zinc/96/12/79/1193961279.db2.gz IVMILXPTMMEGBQ-UHFFFAOYSA-N 2 2 381.473 0.456 20 0 GCADLP C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000664218573 1193970571 /nfs/dbraw/zinc/97/05/71/1193970571.db2.gz FDPNNJIQXUVHLY-RTBURBONSA-N 2 2 381.565 0.766 20 0 GCADLP Cc1ccn(C[C@](C)(O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(=O)c1 ZINC000280373043 1193989841 /nfs/dbraw/zinc/98/98/41/1193989841.db2.gz CWDHKXSLHVMFQO-NRFANRHFSA-N 2 2 390.528 0.583 20 0 GCADLP Cc1ccn(C[C@@](C)(O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(=O)c1 ZINC000280373047 1193989952 /nfs/dbraw/zinc/98/99/52/1193989952.db2.gz CWDHKXSLHVMFQO-OAQYLSRUSA-N 2 2 390.528 0.583 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419397670 1194018801 /nfs/dbraw/zinc/01/88/01/1194018801.db2.gz YHQJJEGNOHEDJJ-HZPDHXFCSA-N 2 2 382.892 0.554 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419397670 1194018802 /nfs/dbraw/zinc/01/88/02/1194018802.db2.gz YHQJJEGNOHEDJJ-HZPDHXFCSA-N 2 2 382.892 0.554 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000500987813 1194020423 /nfs/dbraw/zinc/02/04/23/1194020423.db2.gz GLOVWBSPLCRXJH-HZPDHXFCSA-N 2 2 383.537 0.338 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419414441 1194031390 /nfs/dbraw/zinc/03/13/90/1194031390.db2.gz MCLAWHCKNPKYCW-QRQLOZEOSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419414441 1194031395 /nfs/dbraw/zinc/03/13/95/1194031395.db2.gz MCLAWHCKNPKYCW-QRQLOZEOSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419450753 1194037143 /nfs/dbraw/zinc/03/71/43/1194037143.db2.gz MCPBKZWXWFOMLB-KZNAEPCWSA-N 2 2 387.528 0.522 20 0 GCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419504914 1194046656 /nfs/dbraw/zinc/04/66/56/1194046656.db2.gz KTPYLBKXMUXHNG-CVEARBPZSA-N 2 2 391.491 0.260 20 0 GCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419503661 1194046703 /nfs/dbraw/zinc/04/67/03/1194046703.db2.gz HWPFEBQFYDITPH-DOTOQJQBSA-N 2 2 391.491 0.321 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000419506658 1194047683 /nfs/dbraw/zinc/04/76/83/1194047683.db2.gz NOXBKPZBDDDMCR-HZPDHXFCSA-N 2 2 391.491 0.273 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419486856 1194049222 /nfs/dbraw/zinc/04/92/22/1194049222.db2.gz AJEMFMWAESEFAW-QGZVFWFLSA-N 2 2 379.480 0.163 20 0 GCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512633 1194051273 /nfs/dbraw/zinc/05/12/73/1194051273.db2.gz XPGUOJDUDYCLLJ-QGZVFWFLSA-N 2 2 387.528 0.524 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419647875 1194076461 /nfs/dbraw/zinc/07/64/61/1194076461.db2.gz RUVXNCDSJPQHCR-YOEHRIQHSA-N 2 2 385.468 0.777 20 0 GCADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000419676215 1194080157 /nfs/dbraw/zinc/08/01/57/1194080157.db2.gz BIKSVWYBKVAMQK-JLSDUUJJSA-N 2 2 385.468 0.658 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419720018 1194092427 /nfs/dbraw/zinc/09/24/27/1194092427.db2.gz HEVKMWPAOKWVKO-PBHICJAKSA-N 2 2 391.422 0.930 20 0 GCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419861758 1194124754 /nfs/dbraw/zinc/12/47/54/1194124754.db2.gz PTXVHZUTDTXVTI-QGZVFWFLSA-N 2 2 376.476 0.976 20 0 GCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419861758 1194124757 /nfs/dbraw/zinc/12/47/57/1194124757.db2.gz PTXVHZUTDTXVTI-QGZVFWFLSA-N 2 2 376.476 0.976 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419894824 1194135111 /nfs/dbraw/zinc/13/51/11/1194135111.db2.gz RJCVWVRMBZTPJP-BHIYHBOVSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419894824 1194135115 /nfs/dbraw/zinc/13/51/15/1194135115.db2.gz RJCVWVRMBZTPJP-BHIYHBOVSA-N 3 2 393.576 0.650 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000419985727 1194152774 /nfs/dbraw/zinc/15/27/74/1194152774.db2.gz XABUJAYIIKOZGZ-CVEARBPZSA-N 2 2 376.501 0.872 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420022161 1194157683 /nfs/dbraw/zinc/15/76/83/1194157683.db2.gz VEVWZUIQMXOTFA-IAGOWNOFSA-N 2 2 395.548 0.023 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420022161 1194157685 /nfs/dbraw/zinc/15/76/85/1194157685.db2.gz VEVWZUIQMXOTFA-IAGOWNOFSA-N 2 2 395.548 0.023 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420028289 1194159875 /nfs/dbraw/zinc/15/98/75/1194159875.db2.gz DDMCISIDDVFHAZ-NUJGCVRESA-N 2 2 388.512 0.949 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420028289 1194159876 /nfs/dbraw/zinc/15/98/76/1194159876.db2.gz DDMCISIDDVFHAZ-NUJGCVRESA-N 2 2 388.512 0.949 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420041870 1194166991 /nfs/dbraw/zinc/16/69/91/1194166991.db2.gz QFJIYAMKWXGGDT-GDBMZVCRSA-N 2 2 394.541 0.664 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000420069157 1194171454 /nfs/dbraw/zinc/17/14/54/1194171454.db2.gz BFWVJSGJPSJVPL-LJQANCHMSA-N 2 2 384.480 0.746 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000420134812 1194184809 /nfs/dbraw/zinc/18/48/09/1194184809.db2.gz UZWJCXNJMQZIMT-HOCLYGCPSA-N 2 2 388.516 0.814 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000420158882 1194191354 /nfs/dbraw/zinc/19/13/54/1194191354.db2.gz RHVAXEUXRBYFPG-OAHLLOKOSA-N 2 2 376.505 0.671 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000420180613 1194196597 /nfs/dbraw/zinc/19/65/97/1194196597.db2.gz HANPVKYUKCNTCP-UHFFFAOYSA-N 2 2 396.919 0.727 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000420180613 1194196599 /nfs/dbraw/zinc/19/65/99/1194196599.db2.gz HANPVKYUKCNTCP-UHFFFAOYSA-N 2 2 396.919 0.727 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000420174611 1194201112 /nfs/dbraw/zinc/20/11/12/1194201112.db2.gz YUTUIOQAXRDFQK-ZACQAIPSSA-N 2 2 380.533 0.450 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501636158 1194217384 /nfs/dbraw/zinc/21/73/84/1194217384.db2.gz DPEZMABHSLNQPS-SCTDSRPQSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501636158 1194217387 /nfs/dbraw/zinc/21/73/87/1194217387.db2.gz DPEZMABHSLNQPS-SCTDSRPQSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501636158 1194217391 /nfs/dbraw/zinc/21/73/91/1194217391.db2.gz DPEZMABHSLNQPS-SCTDSRPQSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501636158 1194217395 /nfs/dbraw/zinc/21/73/95/1194217395.db2.gz DPEZMABHSLNQPS-SCTDSRPQSA-N 2 2 394.560 0.935 20 0 GCADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420390215 1194226602 /nfs/dbraw/zinc/22/66/02/1194226602.db2.gz ZARDKNMVWYZCEX-HNNXBMFYSA-N 2 2 387.444 0.731 20 0 GCADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420390215 1194226605 /nfs/dbraw/zinc/22/66/05/1194226605.db2.gz ZARDKNMVWYZCEX-HNNXBMFYSA-N 2 2 387.444 0.731 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000420408182 1194229519 /nfs/dbraw/zinc/22/95/19/1194229519.db2.gz PDKXLQVDXWTWCS-QFBILLFUSA-N 2 2 388.512 0.692 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000420408182 1194229523 /nfs/dbraw/zinc/22/95/23/1194229523.db2.gz PDKXLQVDXWTWCS-QFBILLFUSA-N 2 2 388.512 0.692 20 0 GCADLP C[C@H](C(=O)N(C)C)S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420472568 1194230587 /nfs/dbraw/zinc/23/05/87/1194230587.db2.gz SOSHIJUHQVJPAF-OAHLLOKOSA-N 2 2 382.530 0.376 20 0 GCADLP COCCOCCS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420466760 1194231663 /nfs/dbraw/zinc/23/16/63/1194231663.db2.gz BLCUCAXTFNPHPL-UHFFFAOYSA-N 2 2 385.530 0.562 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000420769496 1194263858 /nfs/dbraw/zinc/26/38/58/1194263858.db2.gz JADMYQAKQZCBBD-RBUKOAKNSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000420769496 1194263862 /nfs/dbraw/zinc/26/38/62/1194263862.db2.gz JADMYQAKQZCBBD-RBUKOAKNSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000420769496 1194263864 /nfs/dbraw/zinc/26/38/64/1194263864.db2.gz JADMYQAKQZCBBD-RBUKOAKNSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000420769496 1194263869 /nfs/dbraw/zinc/26/38/69/1194263869.db2.gz JADMYQAKQZCBBD-RBUKOAKNSA-N 2 2 388.512 0.556 20 0 GCADLP NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420918745 1194274875 /nfs/dbraw/zinc/27/48/75/1194274875.db2.gz XOBKAIPQXVDZEE-GOSISDBHSA-N 2 2 382.530 0.524 20 0 GCADLP NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420918745 1194274878 /nfs/dbraw/zinc/27/48/78/1194274878.db2.gz XOBKAIPQXVDZEE-GOSISDBHSA-N 2 2 382.530 0.524 20 0 GCADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC2)CC1 ZINC000421018347 1194285031 /nfs/dbraw/zinc/28/50/31/1194285031.db2.gz WZRQKZUSQBNZIO-UHFFFAOYSA-N 2 2 393.454 0.867 20 0 GCADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC2)CC1 ZINC000421018347 1194285033 /nfs/dbraw/zinc/28/50/33/1194285033.db2.gz WZRQKZUSQBNZIO-UHFFFAOYSA-N 2 2 393.454 0.867 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000502661678 1194344201 /nfs/dbraw/zinc/34/42/01/1194344201.db2.gz DVVHVMIEGJRLEV-UHFFFAOYSA-N 2 2 383.537 0.197 20 0 GCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000502854273 1194362728 /nfs/dbraw/zinc/36/27/28/1194362728.db2.gz DCSLZHQPDBUPLN-RBUKOAKNSA-N 2 2 388.512 0.844 20 0 GCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4OCC[NH2+][C@H]4C3)CC2)cc1 ZINC000584236667 1194370451 /nfs/dbraw/zinc/37/04/51/1194370451.db2.gz RQOSGCWURVXWPA-PMACEKPBSA-N 2 2 388.512 0.402 20 0 GCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000422093051 1194389146 /nfs/dbraw/zinc/38/91/46/1194389146.db2.gz KXMRGAVJNKHBPY-GOSISDBHSA-N 2 2 390.528 0.804 20 0 GCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000422093051 1194389149 /nfs/dbraw/zinc/38/91/49/1194389149.db2.gz KXMRGAVJNKHBPY-GOSISDBHSA-N 2 2 390.528 0.804 20 0 GCADLP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422093051 1194389155 /nfs/dbraw/zinc/38/91/55/1194389155.db2.gz KXMRGAVJNKHBPY-GOSISDBHSA-N 2 2 390.528 0.804 20 0 GCADLP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422093051 1194389157 /nfs/dbraw/zinc/38/91/57/1194389157.db2.gz KXMRGAVJNKHBPY-GOSISDBHSA-N 2 2 390.528 0.804 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271794218 1194412986 /nfs/dbraw/zinc/41/29/86/1194412986.db2.gz MEJPFCRTZOGRGA-IBGZPJMESA-N 2 2 391.516 0.633 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000273031087 1194531910 /nfs/dbraw/zinc/53/19/10/1194531910.db2.gz DOSFQZZCIWMOSL-KRWDZBQOSA-N 2 2 388.512 0.659 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000273413422 1194562572 /nfs/dbraw/zinc/56/25/72/1194562572.db2.gz NCJIUIITLMNIBQ-CMKODMSKSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000273413422 1194562574 /nfs/dbraw/zinc/56/25/74/1194562574.db2.gz NCJIUIITLMNIBQ-CMKODMSKSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000273413422 1194562579 /nfs/dbraw/zinc/56/25/79/1194562579.db2.gz NCJIUIITLMNIBQ-CMKODMSKSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000273413422 1194562582 /nfs/dbraw/zinc/56/25/82/1194562582.db2.gz NCJIUIITLMNIBQ-CMKODMSKSA-N 2 2 390.528 0.984 20 0 GCADLP Cc1cc(CNC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc(C)[nH+]1 ZINC000422400057 1194628605 /nfs/dbraw/zinc/62/86/05/1194628605.db2.gz QSIBJVWCQVDTNN-UHFFFAOYSA-N 2 2 385.468 0.966 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000422586145 1194669227 /nfs/dbraw/zinc/66/92/27/1194669227.db2.gz FEEGJTSVQNFKJD-KRWDZBQOSA-N 2 2 387.528 0.942 20 0 GCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1C[NH3+] ZINC000422633883 1194679375 /nfs/dbraw/zinc/67/93/75/1194679375.db2.gz IYSWEPJWHGLUNK-UMVBOHGHSA-N 2 2 380.514 0.528 20 0 GCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1C[NH3+] ZINC000422633883 1194679376 /nfs/dbraw/zinc/67/93/76/1194679376.db2.gz IYSWEPJWHGLUNK-UMVBOHGHSA-N 2 2 380.514 0.528 20 0 GCADLP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880828 1194705045 /nfs/dbraw/zinc/70/50/45/1194705045.db2.gz OVKPAVYEIJCQOU-IAGOWNOFSA-N 3 2 382.549 0.840 20 0 GCADLP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880828 1194705049 /nfs/dbraw/zinc/70/50/49/1194705049.db2.gz OVKPAVYEIJCQOU-IAGOWNOFSA-N 3 2 382.549 0.840 20 0 GCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422940230 1194709940 /nfs/dbraw/zinc/70/99/40/1194709940.db2.gz SNWARHBUEZCYBC-ZWKOTPCHSA-N 2 2 383.514 0.468 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(C)[nH+]1 ZINC000422966480 1194711133 /nfs/dbraw/zinc/71/11/33/1194711133.db2.gz AGQVXYOLOBTTTC-MRXNPFEDSA-N 2 2 375.473 0.161 20 0 GCADLP Cc1cc(CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc(C)[nH+]1 ZINC000422972436 1194714350 /nfs/dbraw/zinc/71/43/50/1194714350.db2.gz LPQGABMFYGGYBM-AWEZNQCLSA-N 2 2 387.406 0.267 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1c1ccccc1 ZINC000422984414 1194715408 /nfs/dbraw/zinc/71/54/08/1194715408.db2.gz ATZNTRDQYXVIBK-ZWKOTPCHSA-N 2 2 379.464 0.684 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423009513 1194717071 /nfs/dbraw/zinc/71/70/71/1194717071.db2.gz DBHANADUVYMIKX-HXUWFJFHSA-N 2 2 399.539 0.145 20 0 GCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423014881 1194718039 /nfs/dbraw/zinc/71/80/39/1194718039.db2.gz QAKFBIPYYXOFRB-IBGZPJMESA-N 2 2 388.512 0.640 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423056788 1194722259 /nfs/dbraw/zinc/72/22/59/1194722259.db2.gz GHDCJKCXVSJJHI-FUHWJXTLSA-N 2 2 392.475 0.260 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423055167 1194725301 /nfs/dbraw/zinc/72/53/01/1194725301.db2.gz CUZSFARJHLTJMY-ZWKOTPCHSA-N 2 2 392.475 0.260 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000423263733 1194742683 /nfs/dbraw/zinc/74/26/83/1194742683.db2.gz XQTYJUBEPAKPAM-QAPCUYQASA-N 2 2 390.484 0.087 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000423358548 1194750969 /nfs/dbraw/zinc/75/09/69/1194750969.db2.gz BQIRJVOCHHEPFW-GOSISDBHSA-N 2 2 394.560 0.792 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423358553 1194750995 /nfs/dbraw/zinc/75/09/95/1194750995.db2.gz BQLZZINRRNWTGG-GOSISDBHSA-N 2 2 380.533 0.404 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000423505873 1194760163 /nfs/dbraw/zinc/76/01/63/1194760163.db2.gz HMXYFGKFOPMZSW-NEWSRXKRSA-N 3 2 393.576 0.602 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000423505873 1194760165 /nfs/dbraw/zinc/76/01/65/1194760165.db2.gz HMXYFGKFOPMZSW-NEWSRXKRSA-N 3 2 393.576 0.602 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)[C@@H](C)C1 ZINC000423544506 1194765468 /nfs/dbraw/zinc/76/54/68/1194765468.db2.gz WWMLSWLXZWOEIF-INIZCTEOSA-N 2 2 394.516 0.074 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)[C@@H](C)C1 ZINC000423544506 1194765471 /nfs/dbraw/zinc/76/54/71/1194765471.db2.gz WWMLSWLXZWOEIF-INIZCTEOSA-N 2 2 394.516 0.074 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)[C@@H](C)C[NH2+]1 ZINC000423634939 1194776108 /nfs/dbraw/zinc/77/61/08/1194776108.db2.gz QZTUBISYGCPTNH-KBPBESRZSA-N 2 2 394.438 0.308 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000423627768 1194778702 /nfs/dbraw/zinc/77/87/02/1194778702.db2.gz JAXUCAOLUXEKBJ-QZTJIDSGSA-N 2 2 387.528 0.476 20 0 GCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000423701282 1194783797 /nfs/dbraw/zinc/78/37/97/1194783797.db2.gz VHZLSLXWUHEFJW-GOSISDBHSA-N 2 2 388.512 0.968 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000423681477 1194785480 /nfs/dbraw/zinc/78/54/80/1194785480.db2.gz VHDGMECZAGFVAH-NZSAHSFTSA-N 2 2 388.512 0.684 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000423681477 1194785482 /nfs/dbraw/zinc/78/54/82/1194785482.db2.gz VHDGMECZAGFVAH-NZSAHSFTSA-N 2 2 388.512 0.684 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000434481244 1194847410 /nfs/dbraw/zinc/84/74/10/1194847410.db2.gz CSVUDGWEGLOQLM-FQEVSTJZSA-N 2 2 390.528 0.350 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514225098 1194858075 /nfs/dbraw/zinc/85/80/75/1194858075.db2.gz LGSGVVJXGPMUNZ-SFHVURJKSA-N 3 2 390.532 0.614 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000435102051 1194889539 /nfs/dbraw/zinc/88/95/39/1194889539.db2.gz FPQSIRKVSNBFPU-QGZVFWFLSA-N 2 2 380.489 0.784 20 0 GCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC1 ZINC000435105017 1194889820 /nfs/dbraw/zinc/88/98/20/1194889820.db2.gz IWVUSISKGCPSIK-PBHICJAKSA-N 2 2 390.484 0.535 20 0 GCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000435307684 1194915250 /nfs/dbraw/zinc/91/52/50/1194915250.db2.gz RFQVZNPCFGXULP-SJORKVTESA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000435307684 1194915253 /nfs/dbraw/zinc/91/52/53/1194915253.db2.gz RFQVZNPCFGXULP-SJORKVTESA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000435307684 1194915254 /nfs/dbraw/zinc/91/52/54/1194915254.db2.gz RFQVZNPCFGXULP-SJORKVTESA-N 2 2 383.537 0.324 20 0 GCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000435307684 1194915257 /nfs/dbraw/zinc/91/52/57/1194915257.db2.gz RFQVZNPCFGXULP-SJORKVTESA-N 2 2 383.537 0.324 20 0 GCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000435585812 1194946013 /nfs/dbraw/zinc/94/60/13/1194946013.db2.gz VBKANMJBGQYPLT-BBWFWOEESA-N 2 2 386.537 0.209 20 0 GCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000435585812 1194946016 /nfs/dbraw/zinc/94/60/16/1194946016.db2.gz VBKANMJBGQYPLT-BBWFWOEESA-N 2 2 386.537 0.209 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000435583370 1194946374 /nfs/dbraw/zinc/94/63/74/1194946374.db2.gz IXGPRLOHHBAUBM-IBGZPJMESA-N 2 2 391.516 0.381 20 0 GCADLP C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435616806 1194947202 /nfs/dbraw/zinc/94/72/02/1194947202.db2.gz LMEXBCQPYPZOQY-KRWDZBQOSA-N 2 2 394.541 0.593 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435616806 1194947206 /nfs/dbraw/zinc/94/72/06/1194947206.db2.gz LMEXBCQPYPZOQY-KRWDZBQOSA-N 2 2 394.541 0.593 20 0 GCADLP CC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@H]1CCC[NH2+]CC1 ZINC000435623820 1194947383 /nfs/dbraw/zinc/94/73/83/1194947383.db2.gz DLUKXIBIKQNMBE-HNNXBMFYSA-N 2 2 380.514 0.687 20 0 GCADLP CC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@H]1CCC[NH2+]CC1 ZINC000435623820 1194947387 /nfs/dbraw/zinc/94/73/87/1194947387.db2.gz DLUKXIBIKQNMBE-HNNXBMFYSA-N 2 2 380.514 0.687 20 0 GCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4sccc4C3)[C@H]2C1 ZINC000285214446 1194978648 /nfs/dbraw/zinc/97/86/48/1194978648.db2.gz WIVOYOHKXLCUFU-ZBFHGGJFSA-N 2 2 376.526 0.775 20 0 GCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4sccc4C3)[C@H]2C1 ZINC000285214446 1194978651 /nfs/dbraw/zinc/97/86/51/1194978651.db2.gz WIVOYOHKXLCUFU-ZBFHGGJFSA-N 2 2 376.526 0.775 20 0 GCADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)[C@H]2C1 ZINC000285214446 1194978654 /nfs/dbraw/zinc/97/86/54/1194978654.db2.gz WIVOYOHKXLCUFU-ZBFHGGJFSA-N 2 2 376.526 0.775 20 0 GCADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)[C@H]2C1 ZINC000285214446 1194978656 /nfs/dbraw/zinc/97/86/56/1194978656.db2.gz WIVOYOHKXLCUFU-ZBFHGGJFSA-N 2 2 376.526 0.775 20 0 GCADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061693 1194983366 /nfs/dbraw/zinc/98/33/66/1194983366.db2.gz HXLLSMQWGFEJFM-OAHLLOKOSA-N 2 2 391.472 0.663 20 0 GCADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061693 1194983369 /nfs/dbraw/zinc/98/33/69/1194983369.db2.gz HXLLSMQWGFEJFM-OAHLLOKOSA-N 2 2 391.472 0.663 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000425455925 1194983956 /nfs/dbraw/zinc/98/39/56/1194983956.db2.gz VJFLUNCBNVBPTN-UHFFFAOYSA-N 2 2 383.537 0.291 20 0 GCADLP Cc1ncsc1C[NH+]1CC2(C1)CCCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001270175938 1195074230 /nfs/dbraw/zinc/07/42/30/1195074230.db2.gz PQFBXULPBIUGRT-UHFFFAOYSA-N 2 2 382.530 0.163 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000516595968 1195074671 /nfs/dbraw/zinc/07/46/71/1195074671.db2.gz MAIXVPHBZLHWPR-UHFFFAOYSA-N 2 2 394.491 0.554 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000516595968 1195074675 /nfs/dbraw/zinc/07/46/75/1195074675.db2.gz MAIXVPHBZLHWPR-UHFFFAOYSA-N 2 2 394.491 0.554 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000516746618 1195091546 /nfs/dbraw/zinc/09/15/46/1195091546.db2.gz MYPZQOHHEAPFNR-GOSISDBHSA-N 2 2 380.533 0.450 20 0 GCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cc1 ZINC000414905681 1195113377 /nfs/dbraw/zinc/11/33/77/1195113377.db2.gz OPNVTUDSEWWNBI-CQSZACIVSA-N 2 2 376.457 0.440 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2[NH3+])cn1 ZINC000516970158 1195118532 /nfs/dbraw/zinc/11/85/32/1195118532.db2.gz AFUPBTVULRAHTE-RBUKOAKNSA-N 2 2 396.495 0.018 20 0 GCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000414911572 1195139718 /nfs/dbraw/zinc/13/97/18/1195139718.db2.gz WNHHZTWHVQKHEG-AWEZNQCLSA-N 2 2 376.457 0.440 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000414915338 1195167390 /nfs/dbraw/zinc/16/73/90/1195167390.db2.gz MFCOOICQDOUSQS-UHFFFAOYSA-N 2 2 376.457 0.288 20 0 GCADLP CN(C(=O)Cc1ccsc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517307341 1195169280 /nfs/dbraw/zinc/16/92/80/1195169280.db2.gz MSUDKPQZCBMSGI-UHFFFAOYSA-N 2 2 378.542 0.987 20 0 GCADLP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653374199 1195263907 /nfs/dbraw/zinc/26/39/07/1195263907.db2.gz BFDCICBWTCBAMM-ICSRJNTNSA-N 2 2 384.524 0.972 20 0 GCADLP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653374199 1195263912 /nfs/dbraw/zinc/26/39/12/1195263912.db2.gz BFDCICBWTCBAMM-ICSRJNTNSA-N 2 2 384.524 0.972 20 0 GCADLP C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653374199 1195263915 /nfs/dbraw/zinc/26/39/15/1195263915.db2.gz BFDCICBWTCBAMM-ICSRJNTNSA-N 2 2 384.524 0.972 20 0 GCADLP C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653374199 1195263920 /nfs/dbraw/zinc/26/39/20/1195263920.db2.gz BFDCICBWTCBAMM-ICSRJNTNSA-N 2 2 384.524 0.972 20 0 GCADLP CCCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000439646603 1195339208 /nfs/dbraw/zinc/33/92/08/1195339208.db2.gz LBYGRUQRXNDDTP-NVXWUHKLSA-N 2 2 389.562 0.501 20 0 GCADLP Cc1cc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n2ncnc2n1 ZINC000518845706 1195340076 /nfs/dbraw/zinc/34/00/76/1195340076.db2.gz LUWKVXMXXAIAMV-UHFFFAOYSA-N 2 2 386.504 0.107 20 0 GCADLP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)([NH+](C)C)C1 ZINC000519109402 1195369058 /nfs/dbraw/zinc/36/90/58/1195369058.db2.gz PCMVCQRSGJXILW-LQWHRVPQSA-N 2 2 394.560 0.794 20 0 GCADLP [NH3+]CCOCC[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000519156753 1195374450 /nfs/dbraw/zinc/37/44/50/1195374450.db2.gz KTMHQTHSDVIXKY-UHFFFAOYSA-N 2 2 377.876 0.983 20 0 GCADLP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000550028912 1195396054 /nfs/dbraw/zinc/39/60/54/1195396054.db2.gz OXGLMQHCJRPJKB-UHFFFAOYSA-N 2 2 399.539 0.227 20 0 GCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000440266092 1195398481 /nfs/dbraw/zinc/39/84/81/1195398481.db2.gz CNKARBDFWKZCQM-ZDUSSCGKSA-N 2 2 389.456 0.257 20 0 GCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000440266092 1195398485 /nfs/dbraw/zinc/39/84/85/1195398485.db2.gz CNKARBDFWKZCQM-ZDUSSCGKSA-N 2 2 389.456 0.257 20 0 GCADLP CC[C@H]1COC(C)(C)CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653397853 1195412351 /nfs/dbraw/zinc/41/23/51/1195412351.db2.gz ANOOATNWALVVOO-CVEARBPZSA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@H]1COC(C)(C)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653397853 1195412353 /nfs/dbraw/zinc/41/23/53/1195412353.db2.gz ANOOATNWALVVOO-CVEARBPZSA-N 2 2 380.533 0.687 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@@H]2COCC2(C)C)CC3)CC1 ZINC000894559177 1195443349 /nfs/dbraw/zinc/44/33/49/1195443349.db2.gz MPKASPBVJOFQAU-CRAIPNDOSA-N 2 2 375.517 0.848 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000550136135 1195446420 /nfs/dbraw/zinc/44/64/20/1195446420.db2.gz ZNLCYBPHGMCGDX-HNNXBMFYSA-N 2 2 382.505 0.073 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000550136135 1195446422 /nfs/dbraw/zinc/44/64/22/1195446422.db2.gz ZNLCYBPHGMCGDX-HNNXBMFYSA-N 2 2 382.505 0.073 20 0 GCADLP O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000519558609 1195449392 /nfs/dbraw/zinc/44/93/92/1195449392.db2.gz SJOWGMJUTYCDDF-UHFFFAOYSA-N 2 2 399.495 0.776 20 0 GCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000550181309 1195455299 /nfs/dbraw/zinc/45/52/99/1195455299.db2.gz RYBMQMIPGQFJNC-BRWVUGGUSA-N 2 2 382.549 0.789 20 0 GCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000550181309 1195455301 /nfs/dbraw/zinc/45/53/01/1195455301.db2.gz RYBMQMIPGQFJNC-BRWVUGGUSA-N 2 2 382.549 0.789 20 0 GCADLP O=C(NCC1CC[NH+](CCO)CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000111796830 1195462024 /nfs/dbraw/zinc/46/20/24/1195462024.db2.gz MDEWMHVRECOCLA-HXUWFJFHSA-N 2 2 390.528 0.891 20 0 GCADLP O=C(NCC1CC[NH+](CCO)CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000111796830 1195462030 /nfs/dbraw/zinc/46/20/30/1195462030.db2.gz MDEWMHVRECOCLA-HXUWFJFHSA-N 2 2 390.528 0.891 20 0 GCADLP COCCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550267139 1195472823 /nfs/dbraw/zinc/47/28/23/1195472823.db2.gz NRNHUSADZDKPSZ-MSOLQXFVSA-N 2 2 382.549 0.935 20 0 GCADLP COCCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550267139 1195472825 /nfs/dbraw/zinc/47/28/25/1195472825.db2.gz NRNHUSADZDKPSZ-MSOLQXFVSA-N 2 2 382.549 0.935 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1F ZINC000550265567 1195472852 /nfs/dbraw/zinc/47/28/52/1195472852.db2.gz QNNRPTRYVQLZPF-UHFFFAOYSA-N 2 2 380.464 0.342 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000550278164 1195475483 /nfs/dbraw/zinc/47/54/83/1195475483.db2.gz FPEJZCSSRKUPAG-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000550278164 1195475486 /nfs/dbraw/zinc/47/54/86/1195475486.db2.gz FPEJZCSSRKUPAG-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP C[NH+](C)CCOCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000550279219 1195479469 /nfs/dbraw/zinc/47/94/69/1195479469.db2.gz DPCNOHWBWCNSGB-UHFFFAOYSA-N 2 2 377.489 0.383 20 0 GCADLP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCOCC1 ZINC000506918731 1195479482 /nfs/dbraw/zinc/47/94/82/1195479482.db2.gz PZRXVGGHOFCDHF-UHFFFAOYSA-N 2 2 391.520 0.009 20 0 GCADLP C[C@@H](Cc1ccncc1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000507119875 1195495118 /nfs/dbraw/zinc/49/51/18/1195495118.db2.gz AHJWGHMKDRDDCV-INIZCTEOSA-N 2 2 375.517 0.613 20 0 GCADLP C[C@@H](Cc1ccncc1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000507119875 1195495120 /nfs/dbraw/zinc/49/51/20/1195495120.db2.gz AHJWGHMKDRDDCV-INIZCTEOSA-N 2 2 375.517 0.613 20 0 GCADLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000983754729 1195569324 /nfs/dbraw/zinc/56/93/24/1195569324.db2.gz FLYILXHJHMRDFT-WCXIOVBPSA-N 2 2 391.516 0.805 20 0 GCADLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000983754729 1195569326 /nfs/dbraw/zinc/56/93/26/1195569326.db2.gz FLYILXHJHMRDFT-WCXIOVBPSA-N 2 2 391.516 0.805 20 0 GCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000441090985 1195602648 /nfs/dbraw/zinc/60/26/48/1195602648.db2.gz UNLVRMIOSIDNAG-HOTGVXAUSA-N 2 2 392.504 0.095 20 0 GCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000441090985 1195602653 /nfs/dbraw/zinc/60/26/53/1195602653.db2.gz UNLVRMIOSIDNAG-HOTGVXAUSA-N 2 2 392.504 0.095 20 0 GCADLP COC(=O)[C@H](O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000441242371 1195614430 /nfs/dbraw/zinc/61/44/30/1195614430.db2.gz DYXFELQGTAEMKX-HXUWFJFHSA-N 2 2 389.496 0.577 20 0 GCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000520267411 1195614827 /nfs/dbraw/zinc/61/48/27/1195614827.db2.gz JLJHRSYPCDHJJM-UHFFFAOYSA-N 2 2 398.548 0.173 20 0 GCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000550342392 1195636620 /nfs/dbraw/zinc/63/66/20/1195636620.db2.gz FEFSCDSFGJQRPZ-KRWDZBQOSA-N 2 2 380.533 0.690 20 0 GCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000550342392 1195636622 /nfs/dbraw/zinc/63/66/22/1195636622.db2.gz FEFSCDSFGJQRPZ-KRWDZBQOSA-N 2 2 380.533 0.690 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000550343965 1195638844 /nfs/dbraw/zinc/63/88/44/1195638844.db2.gz ZVHFRHYCOVGQIU-SJORKVTESA-N 2 2 391.516 0.285 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000550343965 1195638846 /nfs/dbraw/zinc/63/88/46/1195638846.db2.gz ZVHFRHYCOVGQIU-SJORKVTESA-N 2 2 391.516 0.285 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000550356243 1195641836 /nfs/dbraw/zinc/64/18/36/1195641836.db2.gz MJLXJEFDEPAKAB-PKOBYXMFSA-N 2 2 394.560 0.983 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000550356243 1195641837 /nfs/dbraw/zinc/64/18/37/1195641837.db2.gz MJLXJEFDEPAKAB-PKOBYXMFSA-N 2 2 394.560 0.983 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000550356242 1195642086 /nfs/dbraw/zinc/64/20/86/1195642086.db2.gz MJLXJEFDEPAKAB-MJGOQNOKSA-N 2 2 394.560 0.983 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000550356242 1195642091 /nfs/dbraw/zinc/64/20/91/1195642091.db2.gz MJLXJEFDEPAKAB-MJGOQNOKSA-N 2 2 394.560 0.983 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000550355979 1195642418 /nfs/dbraw/zinc/64/24/18/1195642418.db2.gz KPUCQPPTEONSHX-SFHVURJKSA-N 2 2 382.549 0.698 20 0 GCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000550358461 1195643918 /nfs/dbraw/zinc/64/39/18/1195643918.db2.gz APWSYDFUKSBMMI-ZWKOTPCHSA-N 2 2 382.549 0.698 20 0 GCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000550358461 1195643919 /nfs/dbraw/zinc/64/39/19/1195643919.db2.gz APWSYDFUKSBMMI-ZWKOTPCHSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000550382019 1195650099 /nfs/dbraw/zinc/65/00/99/1195650099.db2.gz PQTWTUQIDJCBMS-IBGZPJMESA-N 2 2 393.576 0.461 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000550382019 1195650101 /nfs/dbraw/zinc/65/01/01/1195650101.db2.gz PQTWTUQIDJCBMS-IBGZPJMESA-N 2 2 393.576 0.461 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000550383890 1195651841 /nfs/dbraw/zinc/65/18/41/1195651841.db2.gz WSDJNWRSBCXKGQ-WMZOPIPTSA-N 2 2 379.549 0.141 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000550383890 1195651846 /nfs/dbraw/zinc/65/18/46/1195651846.db2.gz WSDJNWRSBCXKGQ-WMZOPIPTSA-N 2 2 379.549 0.141 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000328622481 1195656897 /nfs/dbraw/zinc/65/68/97/1195656897.db2.gz YHJTZRDJWQFZMK-GOSISDBHSA-N 2 2 393.576 0.556 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000328622482 1195657020 /nfs/dbraw/zinc/65/70/20/1195657020.db2.gz YHJTZRDJWQFZMK-SFHVURJKSA-N 2 2 393.576 0.556 20 0 GCADLP COc1ccc(CN2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)CC2=O)cc1 ZINC000328677330 1195660495 /nfs/dbraw/zinc/66/04/95/1195660495.db2.gz LXUHHOYCEULPGM-UHFFFAOYSA-N 2 2 388.512 0.894 20 0 GCADLP COc1ccc(CN2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CC2=O)cc1 ZINC000328677330 1195660498 /nfs/dbraw/zinc/66/04/98/1195660498.db2.gz LXUHHOYCEULPGM-UHFFFAOYSA-N 2 2 388.512 0.894 20 0 GCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)CC1 ZINC000328795481 1195668205 /nfs/dbraw/zinc/66/82/05/1195668205.db2.gz UCJXGMLKIHUQFX-RTBURBONSA-N 2 2 392.544 0.357 20 0 GCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000328992380 1195684735 /nfs/dbraw/zinc/68/47/35/1195684735.db2.gz SSSCFFIRVVIGSD-HKUYNNGSSA-N 2 2 375.517 0.699 20 0 GCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000328992380 1195684737 /nfs/dbraw/zinc/68/47/37/1195684737.db2.gz SSSCFFIRVVIGSD-HKUYNNGSSA-N 2 2 375.517 0.699 20 0 GCADLP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000074654624 1195750265 /nfs/dbraw/zinc/75/02/65/1195750265.db2.gz HNJAWDPJTXIOQL-RTBURBONSA-N 2 2 381.565 0.624 20 0 GCADLP NC(=O)[C@@]1([NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCOC1 ZINC000579609159 1195842579 /nfs/dbraw/zinc/84/25/79/1195842579.db2.gz OUPYSROMXXMSKG-GOSISDBHSA-N 2 2 378.498 0.408 20 0 GCADLP C[C@@H](CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000474018147 1195857224 /nfs/dbraw/zinc/85/72/24/1195857224.db2.gz FGPYNUIDALPFHU-HNNXBMFYSA-N 2 2 390.532 0.852 20 0 GCADLP COC1CC[NH+](C2(CNC(=O)C(=O)NCCn3cc[nH+]c3)CCCC2)CC1 ZINC000550446336 1195870971 /nfs/dbraw/zinc/87/09/71/1195870971.db2.gz MYEVDRXIVHENNB-UHFFFAOYSA-N 2 2 377.489 0.539 20 0 GCADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508207143 1195905957 /nfs/dbraw/zinc/90/59/57/1195905957.db2.gz SHIJWOAFJJAGOU-SFHVURJKSA-N 2 2 380.533 0.502 20 0 GCADLP CC[C@@H]1C[N@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000428059677 1195906448 /nfs/dbraw/zinc/90/64/48/1195906448.db2.gz RIBKYEUIKCYOBC-GOSISDBHSA-N 2 2 375.517 0.821 20 0 GCADLP CC[C@@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000428059677 1195906451 /nfs/dbraw/zinc/90/64/51/1195906451.db2.gz RIBKYEUIKCYOBC-GOSISDBHSA-N 2 2 375.517 0.821 20 0 GCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520847772 1195927751 /nfs/dbraw/zinc/92/77/51/1195927751.db2.gz RSRIIQQSJFYTOP-BBWFWOEESA-N 2 2 382.549 0.981 20 0 GCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520847772 1195927756 /nfs/dbraw/zinc/92/77/56/1195927756.db2.gz RSRIIQQSJFYTOP-BBWFWOEESA-N 2 2 382.549 0.981 20 0 GCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520847772 1195927757 /nfs/dbraw/zinc/92/77/57/1195927757.db2.gz RSRIIQQSJFYTOP-BBWFWOEESA-N 2 2 382.549 0.981 20 0 GCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520847772 1195927762 /nfs/dbraw/zinc/92/77/62/1195927762.db2.gz RSRIIQQSJFYTOP-BBWFWOEESA-N 2 2 382.549 0.981 20 0 GCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000521076052 1195961319 /nfs/dbraw/zinc/96/13/19/1195961319.db2.gz FVHXDAJXOAGVAA-MOPGFXCFSA-N 2 2 394.560 0.983 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000550455803 1195963846 /nfs/dbraw/zinc/96/38/46/1195963846.db2.gz NIAGSJIVRPYVQZ-KRWDZBQOSA-N 2 2 377.489 0.520 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000550455803 1195963848 /nfs/dbraw/zinc/96/38/48/1195963848.db2.gz NIAGSJIVRPYVQZ-KRWDZBQOSA-N 2 2 377.489 0.520 20 0 GCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000442274961 1195970011 /nfs/dbraw/zinc/97/00/11/1195970011.db2.gz WXCJSDSQUNWAIL-ZIAGYGMSSA-N 2 2 375.473 0.676 20 0 GCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000442274961 1195970012 /nfs/dbraw/zinc/97/00/12/1195970012.db2.gz WXCJSDSQUNWAIL-ZIAGYGMSSA-N 2 2 375.473 0.676 20 0 GCADLP C[C@H](C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000521227483 1195978412 /nfs/dbraw/zinc/97/84/12/1195978412.db2.gz MJWRAGBTQNIHDN-OAHLLOKOSA-N 2 2 383.514 0.870 20 0 GCADLP C[C@@H](C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000521227482 1195978478 /nfs/dbraw/zinc/97/84/78/1195978478.db2.gz MJWRAGBTQNIHDN-HNNXBMFYSA-N 2 2 383.514 0.870 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000521216908 1195979505 /nfs/dbraw/zinc/97/95/05/1195979505.db2.gz QQKIGCPMEJGRSL-ZWKOTPCHSA-N 2 2 395.935 0.916 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000521216908 1195979506 /nfs/dbraw/zinc/97/95/06/1195979506.db2.gz QQKIGCPMEJGRSL-ZWKOTPCHSA-N 2 2 395.935 0.916 20 0 GCADLP Cn1cc(N2CCC[C@@H]([NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)C2=O)cn1 ZINC000521253276 1195983220 /nfs/dbraw/zinc/98/32/20/1195983220.db2.gz XGMNMCWEFBBFGW-MRXNPFEDSA-N 2 2 384.488 0.490 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC(=O)N(CCOC)C3=O)CC2)CC1 ZINC000521296921 1195986376 /nfs/dbraw/zinc/98/63/76/1195986376.db2.gz WHWGAUDKRQQHNV-QGZVFWFLSA-N 2 2 394.516 0.027 20 0 GCADLP CC[C@@H](CO)Nc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000895164771 1196001807 /nfs/dbraw/zinc/00/18/07/1196001807.db2.gz DBZSVYBXWRJYJS-DLBZAZTESA-N 2 2 378.521 0.868 20 0 GCADLP CC[C@@H](CO)Nc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000895164771 1196001811 /nfs/dbraw/zinc/00/18/11/1196001811.db2.gz DBZSVYBXWRJYJS-DLBZAZTESA-N 2 2 378.521 0.868 20 0 GCADLP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000443067889 1196017586 /nfs/dbraw/zinc/01/75/86/1196017586.db2.gz HAQDGCYRORZAKW-YESZJQIVSA-N 2 2 387.546 0.242 20 0 GCADLP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000443067889 1196017589 /nfs/dbraw/zinc/01/75/89/1196017589.db2.gz HAQDGCYRORZAKW-YESZJQIVSA-N 2 2 387.546 0.242 20 0 GCADLP CCNC(=O)[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)C ZINC000521836608 1196020461 /nfs/dbraw/zinc/02/04/61/1196020461.db2.gz AHKCQCGFMAEVPP-FQEVSTJZSA-N 2 2 390.528 0.885 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000522017979 1196036396 /nfs/dbraw/zinc/03/63/96/1196036396.db2.gz NMZLPUAAIWUOIQ-SJLPKXTDSA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000522017979 1196036399 /nfs/dbraw/zinc/03/63/99/1196036399.db2.gz NMZLPUAAIWUOIQ-SJLPKXTDSA-N 2 2 380.533 0.593 20 0 GCADLP C[C@H](O)C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H](C)CO ZINC000443334790 1196040738 /nfs/dbraw/zinc/04/07/38/1196040738.db2.gz NCJUPFKNOVFQQP-IRXDYDNUSA-N 2 2 379.501 0.199 20 0 GCADLP C[C@H](O)C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H](C)CO ZINC000443334790 1196040740 /nfs/dbraw/zinc/04/07/40/1196040740.db2.gz NCJUPFKNOVFQQP-IRXDYDNUSA-N 2 2 379.501 0.199 20 0 GCADLP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000429675791 1196054317 /nfs/dbraw/zinc/05/43/17/1196054317.db2.gz OTGSBDTWJFGAQX-RTBURBONSA-N 2 2 393.576 0.273 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001087730070 1196068826 /nfs/dbraw/zinc/06/88/26/1196068826.db2.gz MYUUYAZOFFWXQX-APIJFGDWSA-N 2 2 388.472 0.045 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001087730070 1196068829 /nfs/dbraw/zinc/06/88/29/1196068829.db2.gz MYUUYAZOFFWXQX-APIJFGDWSA-N 2 2 388.472 0.045 20 0 GCADLP CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895253449 1196070644 /nfs/dbraw/zinc/07/06/44/1196070644.db2.gz FXUOYEQJMMRCCP-OLZOCXBDSA-N 2 2 392.424 0.971 20 0 GCADLP C[NH+]1CCN([C@@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c2cccs2)CC1 ZINC000895468852 1196097318 /nfs/dbraw/zinc/09/73/18/1196097318.db2.gz WIJMIRPFBIODJL-SJORKVTESA-N 2 2 378.542 0.874 20 0 GCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000895487814 1196097791 /nfs/dbraw/zinc/09/77/91/1196097791.db2.gz SCWCOXCAMBCCBN-UHFFFAOYSA-N 2 2 380.514 0.997 20 0 GCADLP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000114602503 1196106294 /nfs/dbraw/zinc/10/62/94/1196106294.db2.gz HTRYUKHPDGCPLQ-UHFFFAOYSA-N 2 2 381.565 0.646 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000107370916 1196108467 /nfs/dbraw/zinc/10/84/67/1196108467.db2.gz ZOCPBNRPQCYYLA-QZTJIDSGSA-N 2 2 388.512 0.654 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000107370916 1196108469 /nfs/dbraw/zinc/10/84/69/1196108469.db2.gz ZOCPBNRPQCYYLA-QZTJIDSGSA-N 2 2 388.512 0.654 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4CCF)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971668 1196142556 /nfs/dbraw/zinc/14/25/56/1196142556.db2.gz MQTJWEDNUFBDCL-WCXIOVBPSA-N 2 2 378.496 0.868 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4CCF)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971668 1196142557 /nfs/dbraw/zinc/14/25/57/1196142557.db2.gz MQTJWEDNUFBDCL-WCXIOVBPSA-N 2 2 378.496 0.868 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4CCF)CC[C@@H]3C2)CC[NH+]1C ZINC001087971668 1196142559 /nfs/dbraw/zinc/14/25/59/1196142559.db2.gz MQTJWEDNUFBDCL-WCXIOVBPSA-N 2 2 378.496 0.868 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4CCF)CC[C@@H]3C2)CC[NH+]1C ZINC001087971668 1196142562 /nfs/dbraw/zinc/14/25/62/1196142562.db2.gz MQTJWEDNUFBDCL-WCXIOVBPSA-N 2 2 378.496 0.868 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)Nc4cnccn4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971588 1196142682 /nfs/dbraw/zinc/14/26/82/1196142682.db2.gz IHSVVMPCYPZPEZ-WCXIOVBPSA-N 2 2 386.500 0.536 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)Nc4cnccn4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971588 1196142684 /nfs/dbraw/zinc/14/26/84/1196142684.db2.gz IHSVVMPCYPZPEZ-WCXIOVBPSA-N 2 2 386.500 0.536 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)Nc4cnccn4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971588 1196142687 /nfs/dbraw/zinc/14/26/87/1196142687.db2.gz IHSVVMPCYPZPEZ-WCXIOVBPSA-N 2 2 386.500 0.536 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)Nc4cnccn4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971588 1196142688 /nfs/dbraw/zinc/14/26/88/1196142688.db2.gz IHSVVMPCYPZPEZ-WCXIOVBPSA-N 2 2 386.500 0.536 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828623 1196144770 /nfs/dbraw/zinc/14/47/70/1196144770.db2.gz XMMNPGAVEHLUFE-CHWSQXEVSA-N 2 2 380.493 0.353 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828623 1196144772 /nfs/dbraw/zinc/14/47/72/1196144772.db2.gz XMMNPGAVEHLUFE-CHWSQXEVSA-N 2 2 380.493 0.353 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000474720444 1196146012 /nfs/dbraw/zinc/14/60/12/1196146012.db2.gz BVUIZLUIGOOGLD-MSOLQXFVSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000474720444 1196146013 /nfs/dbraw/zinc/14/60/13/1196146013.db2.gz BVUIZLUIGOOGLD-MSOLQXFVSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000474720444 1196146014 /nfs/dbraw/zinc/14/60/14/1196146014.db2.gz BVUIZLUIGOOGLD-MSOLQXFVSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000474720444 1196146018 /nfs/dbraw/zinc/14/60/18/1196146018.db2.gz BVUIZLUIGOOGLD-MSOLQXFVSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896533265 1196153531 /nfs/dbraw/zinc/15/35/31/1196153531.db2.gz HASWWWDCXSWLFA-JYJNAYRXSA-N 2 2 385.553 0.582 20 0 GCADLP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896533265 1196153534 /nfs/dbraw/zinc/15/35/34/1196153534.db2.gz HASWWWDCXSWLFA-JYJNAYRXSA-N 2 2 385.553 0.582 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC000896532878 1196153617 /nfs/dbraw/zinc/15/36/17/1196153617.db2.gz NBGGMGMRUHQUHP-OJAHFUOMSA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC000896532878 1196153619 /nfs/dbraw/zinc/15/36/19/1196153619.db2.gz NBGGMGMRUHQUHP-OJAHFUOMSA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC000896532878 1196153620 /nfs/dbraw/zinc/15/36/20/1196153620.db2.gz NBGGMGMRUHQUHP-OJAHFUOMSA-N 2 2 390.576 0.985 20 0 GCADLP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC000896532878 1196153622 /nfs/dbraw/zinc/15/36/22/1196153622.db2.gz NBGGMGMRUHQUHP-OJAHFUOMSA-N 2 2 390.576 0.985 20 0 GCADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000329090079 1196162514 /nfs/dbraw/zinc/16/25/14/1196162514.db2.gz IVSKYXVREAYUMH-SFHVURJKSA-N 2 2 385.512 0.361 20 0 GCADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000329090079 1196162516 /nfs/dbraw/zinc/16/25/16/1196162516.db2.gz IVSKYXVREAYUMH-SFHVURJKSA-N 2 2 385.512 0.361 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC(=O)N(C4CC4)C3=O)CC2)CC1 ZINC000329184651 1196173902 /nfs/dbraw/zinc/17/39/02/1196173902.db2.gz GAKAHUCERICFKF-KRWDZBQOSA-N 2 2 376.501 0.543 20 0 GCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCC(c2ccccc2)=N1 ZINC000329590445 1196207373 /nfs/dbraw/zinc/20/73/73/1196207373.db2.gz ZQOKZIHJQAQLRH-UHFFFAOYSA-N 2 2 386.496 0.782 20 0 GCADLP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)c2)CC1 ZINC000896806093 1196208752 /nfs/dbraw/zinc/20/87/52/1196208752.db2.gz MTHYTJDLYPSEJD-LJQANCHMSA-N 2 2 386.496 0.662 20 0 GCADLP CN(C(=O)[C@@H]1C[C@@]12CCOC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329658312 1196216153 /nfs/dbraw/zinc/21/61/53/1196216153.db2.gz NIDRLQWRKCVZEF-FXAWDEMLSA-N 2 2 378.517 0.110 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329775733 1196230892 /nfs/dbraw/zinc/23/08/92/1196230892.db2.gz NITQEHBNVJUEOF-KZNAEPCWSA-N 2 2 378.517 0.252 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329775733 1196230893 /nfs/dbraw/zinc/23/08/93/1196230893.db2.gz NITQEHBNVJUEOF-KZNAEPCWSA-N 2 2 378.517 0.252 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)CC1 ZINC000329939977 1196241070 /nfs/dbraw/zinc/24/10/70/1196241070.db2.gz FXLNAGCXQRPFPO-KBMXLJTQSA-N 2 2 382.484 0.779 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)CC1 ZINC000329939977 1196241071 /nfs/dbraw/zinc/24/10/71/1196241071.db2.gz FXLNAGCXQRPFPO-KBMXLJTQSA-N 2 2 382.484 0.779 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC[C@@H]21 ZINC000330127265 1196254878 /nfs/dbraw/zinc/25/48/78/1196254878.db2.gz MSEYIUYLSYGAQY-SQNIBIBYSA-N 2 2 378.517 0.110 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC[C@@H]21 ZINC000330127265 1196254879 /nfs/dbraw/zinc/25/48/79/1196254879.db2.gz MSEYIUYLSYGAQY-SQNIBIBYSA-N 2 2 378.517 0.110 20 0 GCADLP CSCCC[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000281536165 1196302923 /nfs/dbraw/zinc/30/29/23/1196302923.db2.gz WMYDQYAKKMUYJS-UHFFFAOYSA-N 2 2 377.518 0.697 20 0 GCADLP CSCCC[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000281536165 1196302928 /nfs/dbraw/zinc/30/29/28/1196302928.db2.gz WMYDQYAKKMUYJS-UHFFFAOYSA-N 2 2 377.518 0.697 20 0 GCADLP COCC[NH+]1CCC([NH2+][C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)CC1 ZINC000475349322 1196404894 /nfs/dbraw/zinc/40/48/94/1196404894.db2.gz WOMIKDGRACZPQM-IBGZPJMESA-N 2 2 392.548 0.908 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000508483096 1196445703 /nfs/dbraw/zinc/44/57/03/1196445703.db2.gz DWZVMQIXDCDZRJ-BZSNNMDCSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000508483096 1196445706 /nfs/dbraw/zinc/44/57/06/1196445706.db2.gz DWZVMQIXDCDZRJ-BZSNNMDCSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CN(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000508483096 1196445708 /nfs/dbraw/zinc/44/57/08/1196445708.db2.gz DWZVMQIXDCDZRJ-BZSNNMDCSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CN(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000508483096 1196445710 /nfs/dbraw/zinc/44/57/10/1196445710.db2.gz DWZVMQIXDCDZRJ-BZSNNMDCSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000508483098 1196445769 /nfs/dbraw/zinc/44/57/69/1196445769.db2.gz DWZVMQIXDCDZRJ-OKZBNKHCSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000508483098 1196445770 /nfs/dbraw/zinc/44/57/70/1196445770.db2.gz DWZVMQIXDCDZRJ-OKZBNKHCSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CN(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000508483098 1196445772 /nfs/dbraw/zinc/44/57/72/1196445772.db2.gz DWZVMQIXDCDZRJ-OKZBNKHCSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CN(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000508483098 1196445774 /nfs/dbraw/zinc/44/57/74/1196445774.db2.gz DWZVMQIXDCDZRJ-OKZBNKHCSA-N 2 2 398.548 0.027 20 0 GCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514611675 1196464699 /nfs/dbraw/zinc/46/46/99/1196464699.db2.gz BIHJQSSPFSXZCH-SJLPKXTDSA-N 2 2 394.541 0.472 20 0 GCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514611675 1196464700 /nfs/dbraw/zinc/46/47/00/1196464700.db2.gz BIHJQSSPFSXZCH-SJLPKXTDSA-N 2 2 394.541 0.472 20 0 GCADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106980 1196479114 /nfs/dbraw/zinc/47/91/14/1196479114.db2.gz MCMDYIXQTFMYMJ-GOSISDBHSA-N 2 2 387.484 0.379 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000523452277 1196524660 /nfs/dbraw/zinc/52/46/60/1196524660.db2.gz HKUJHEKDEAHGRV-GOSISDBHSA-N 2 2 379.549 0.169 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000523452277 1196524666 /nfs/dbraw/zinc/52/46/66/1196524666.db2.gz HKUJHEKDEAHGRV-GOSISDBHSA-N 2 2 379.549 0.169 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000523663622 1196544007 /nfs/dbraw/zinc/54/40/07/1196544007.db2.gz ZEJXKHPVADBTBE-UHFFFAOYSA-N 2 2 379.505 0.239 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000523663622 1196544014 /nfs/dbraw/zinc/54/40/14/1196544014.db2.gz ZEJXKHPVADBTBE-UHFFFAOYSA-N 2 2 379.505 0.239 20 0 GCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000248433891 1196549479 /nfs/dbraw/zinc/54/94/79/1196549479.db2.gz DLKSGDJZONJDJT-VQTJNVASSA-N 2 2 388.512 0.869 20 0 GCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000248433891 1196549485 /nfs/dbraw/zinc/54/94/85/1196549485.db2.gz DLKSGDJZONJDJT-VQTJNVASSA-N 2 2 388.512 0.869 20 0 GCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367195580 1196561953 /nfs/dbraw/zinc/56/19/53/1196561953.db2.gz JNXMFBSKRXQQCE-QZTJIDSGSA-N 2 2 381.565 0.765 20 0 GCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367195580 1196561955 /nfs/dbraw/zinc/56/19/55/1196561955.db2.gz JNXMFBSKRXQQCE-QZTJIDSGSA-N 2 2 381.565 0.765 20 0 GCADLP C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000524444938 1196596608 /nfs/dbraw/zinc/59/66/08/1196596608.db2.gz RSHVAFVXPICKPO-QGZVFWFLSA-N 2 2 380.533 0.548 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000524780258 1196624264 /nfs/dbraw/zinc/62/42/64/1196624264.db2.gz WGBVCZZZOMHHBV-SJORKVTESA-N 2 2 388.516 0.902 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000524780258 1196624270 /nfs/dbraw/zinc/62/42/70/1196624270.db2.gz WGBVCZZZOMHHBV-SJORKVTESA-N 2 2 388.516 0.902 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524990839 1196643387 /nfs/dbraw/zinc/64/33/87/1196643387.db2.gz CPCIAKHKEIRXDX-YLJYHZDGSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524990839 1196643391 /nfs/dbraw/zinc/64/33/91/1196643391.db2.gz CPCIAKHKEIRXDX-YLJYHZDGSA-N 2 2 376.501 0.643 20 0 GCADLP OC(C[NH+]1CCOCC2(CCOCC2)C1)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000447309890 1196706473 /nfs/dbraw/zinc/70/64/73/1196706473.db2.gz SDVRUHZDFZNDCU-UHFFFAOYSA-N 2 2 398.544 0.605 20 0 GCADLP OC(C[NH+]1CCOCC2(CCOCC2)C1)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000447309890 1196706478 /nfs/dbraw/zinc/70/64/78/1196706478.db2.gz SDVRUHZDFZNDCU-UHFFFAOYSA-N 2 2 398.544 0.605 20 0 GCADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000525896590 1196724644 /nfs/dbraw/zinc/72/46/44/1196724644.db2.gz BENFKJGZQYNWRZ-UHFFFAOYSA-N 2 2 388.472 0.811 20 0 GCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3C[C@@H](CO)[C@H](CO)C3)CC2)cc1 ZINC000528603158 1196869518 /nfs/dbraw/zinc/86/95/18/1196869518.db2.gz DIIKSBSNZDLDHL-SFTDATJTSA-N 2 2 389.540 0.987 20 0 GCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000529294770 1196911079 /nfs/dbraw/zinc/91/10/79/1196911079.db2.gz ZSCJKSWNVLCYAI-IBGZPJMESA-N 2 2 375.517 0.612 20 0 GCADLP CC(C)(C[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1)C(N)=O ZINC000451209718 1196979825 /nfs/dbraw/zinc/97/98/25/1196979825.db2.gz HVAHMLXTWRQMOX-INIZCTEOSA-N 2 2 382.549 0.827 20 0 GCADLP CC(C)(C[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1)C(N)=O ZINC000451209718 1196979827 /nfs/dbraw/zinc/97/98/27/1196979827.db2.gz HVAHMLXTWRQMOX-INIZCTEOSA-N 2 2 382.549 0.827 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)c2nnc3n2CCCC3)C1 ZINC000451398362 1196992024 /nfs/dbraw/zinc/99/20/24/1196992024.db2.gz DMSINUJWHCLPTH-INIZCTEOSA-N 2 2 392.548 0.912 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)c2nnc3n2CCCC3)C1 ZINC000451398362 1196992026 /nfs/dbraw/zinc/99/20/26/1196992026.db2.gz DMSINUJWHCLPTH-INIZCTEOSA-N 2 2 392.548 0.912 20 0 GCADLP CO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1(C)C ZINC000451483540 1196995172 /nfs/dbraw/zinc/99/51/72/1196995172.db2.gz AXXGSKPXUHXHFU-CABCVRRESA-N 2 2 387.488 0.415 20 0 GCADLP O=C(N1CC[NH+](CCn2cncn2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530675022 1197007420 /nfs/dbraw/zinc/00/74/20/1197007420.db2.gz NGRRZTNZGJMEDT-FQEVSTJZSA-N 2 2 384.484 0.059 20 0 GCADLP O=C(N1CC[NH+](CCn2cncn2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530675022 1197007424 /nfs/dbraw/zinc/00/74/24/1197007424.db2.gz NGRRZTNZGJMEDT-FQEVSTJZSA-N 2 2 384.484 0.059 20 0 GCADLP Cc1cc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n(C2CC[NH+](C)CC2)n1 ZINC000531199628 1197052690 /nfs/dbraw/zinc/05/26/90/1197052690.db2.gz TUWGAAJOXBKWPM-QGZVFWFLSA-N 2 2 394.520 0.615 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000122937699 1197070926 /nfs/dbraw/zinc/07/09/26/1197070926.db2.gz JWUXZEYKWLDOAH-QGZVFWFLSA-N 2 2 387.528 0.915 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000122937699 1197070930 /nfs/dbraw/zinc/07/09/30/1197070930.db2.gz JWUXZEYKWLDOAH-QGZVFWFLSA-N 2 2 387.528 0.915 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)CC1 ZINC000531398450 1197073571 /nfs/dbraw/zinc/07/35/71/1197073571.db2.gz YWIJTJLJWLQTHY-UHFFFAOYSA-N 2 2 378.473 0.486 20 0 GCADLP CNc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)nc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000531823576 1197099265 /nfs/dbraw/zinc/09/92/65/1197099265.db2.gz MYICSLJEJVDJBY-CALCHBBNSA-N 3 2 390.580 0.463 20 0 GCADLP CNc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)nc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000531823576 1197099270 /nfs/dbraw/zinc/09/92/70/1197099270.db2.gz MYICSLJEJVDJBY-CALCHBBNSA-N 3 2 390.580 0.463 20 0 GCADLP CNc1nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(NC[C@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000531823576 1197099274 /nfs/dbraw/zinc/09/92/74/1197099274.db2.gz MYICSLJEJVDJBY-CALCHBBNSA-N 3 2 390.580 0.463 20 0 GCADLP CNc1nc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(NC[C@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000531823576 1197099276 /nfs/dbraw/zinc/09/92/76/1197099276.db2.gz MYICSLJEJVDJBY-CALCHBBNSA-N 3 2 390.580 0.463 20 0 GCADLP CNc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(NC[C@@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000531823576 1197099280 /nfs/dbraw/zinc/09/92/80/1197099280.db2.gz MYICSLJEJVDJBY-CALCHBBNSA-N 3 2 390.580 0.463 20 0 GCADLP CNc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(NC[C@@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000531823576 1197099283 /nfs/dbraw/zinc/09/92/83/1197099283.db2.gz MYICSLJEJVDJBY-CALCHBBNSA-N 3 2 390.580 0.463 20 0 GCADLP CNc1nc(NC[C@H]2CC[NH+](C(C)C)C2)nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000531823576 1197099286 /nfs/dbraw/zinc/09/92/86/1197099286.db2.gz MYICSLJEJVDJBY-CALCHBBNSA-N 3 2 390.580 0.463 20 0 GCADLP CNc1nc(NC[C@H]2CC[NH+](C(C)C)C2)nc(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000531823576 1197099290 /nfs/dbraw/zinc/09/92/90/1197099290.db2.gz MYICSLJEJVDJBY-CALCHBBNSA-N 3 2 390.580 0.463 20 0 GCADLP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531938502 1197104648 /nfs/dbraw/zinc/10/46/48/1197104648.db2.gz YWDOKXJMMABSTP-SJLPKXTDSA-N 2 2 393.557 0.606 20 0 GCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531938500 1197104686 /nfs/dbraw/zinc/10/46/86/1197104686.db2.gz YWDOKXJMMABSTP-AEFFLSMTSA-N 2 2 393.557 0.606 20 0 GCADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064037702 1197138492 /nfs/dbraw/zinc/13/84/92/1197138492.db2.gz CZDOTRFGMWZWKN-GOSISDBHSA-N 2 2 394.560 0.748 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]cn4C)C[C@H]3C2)CC[N@@H+]1C ZINC000986190623 1197153608 /nfs/dbraw/zinc/15/36/08/1197153608.db2.gz LTURJCVBNMLFRZ-VXIBKDFQSA-N 2 2 387.528 1.000 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]cn4C)C[C@H]3C2)CC[N@H+]1C ZINC000986190623 1197153612 /nfs/dbraw/zinc/15/36/12/1197153612.db2.gz LTURJCVBNMLFRZ-VXIBKDFQSA-N 2 2 387.528 1.000 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174186366 1197179663 /nfs/dbraw/zinc/17/96/63/1197179663.db2.gz AYDXSXGAESJYDE-SFHVURJKSA-N 2 2 387.532 0.726 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000178066724 1197192733 /nfs/dbraw/zinc/19/27/33/1197192733.db2.gz OTYGDXSLTIXDFE-NVXWUHKLSA-N 2 2 399.499 0.513 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000178066724 1197192735 /nfs/dbraw/zinc/19/27/35/1197192735.db2.gz OTYGDXSLTIXDFE-NVXWUHKLSA-N 2 2 399.499 0.513 20 0 GCADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181023027 1197203301 /nfs/dbraw/zinc/20/33/01/1197203301.db2.gz VVWMNVIPFJGQHY-MSOLQXFVSA-N 2 2 380.533 0.690 20 0 GCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000897393957 1197210354 /nfs/dbraw/zinc/21/03/54/1197210354.db2.gz AMEBRYJGOGFFOL-UHFFFAOYSA-N 2 2 388.516 0.002 20 0 GCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000897393957 1197210356 /nfs/dbraw/zinc/21/03/56/1197210356.db2.gz AMEBRYJGOGFFOL-UHFFFAOYSA-N 2 2 388.516 0.002 20 0 GCADLP C[C@H]([C@H](C)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCOCC1 ZINC000192176857 1197245964 /nfs/dbraw/zinc/24/59/64/1197245964.db2.gz QPIMXMQJWPGPES-ZWKOTPCHSA-N 2 2 381.565 0.765 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151199532 1197251824 /nfs/dbraw/zinc/25/18/24/1197251824.db2.gz ZVZYQGSKQPYYGW-KRWDZBQOSA-N 2 2 381.484 0.731 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671146955 1197257577 /nfs/dbraw/zinc/25/75/77/1197257577.db2.gz IKQNDUGKWHUVRI-YTQUADARSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671146955 1197257580 /nfs/dbraw/zinc/25/75/80/1197257580.db2.gz IKQNDUGKWHUVRI-YTQUADARSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671146955 1197257583 /nfs/dbraw/zinc/25/75/83/1197257583.db2.gz IKQNDUGKWHUVRI-YTQUADARSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671146955 1197257587 /nfs/dbraw/zinc/25/75/87/1197257587.db2.gz IKQNDUGKWHUVRI-YTQUADARSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C ZINC000170936945 1197307751 /nfs/dbraw/zinc/30/77/51/1197307751.db2.gz ULHZTRUSADJLQV-IAGOWNOFSA-N 2 2 380.558 0.779 20 0 GCADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C ZINC000170936945 1197307753 /nfs/dbraw/zinc/30/77/53/1197307753.db2.gz ULHZTRUSADJLQV-IAGOWNOFSA-N 2 2 380.558 0.779 20 0 GCADLP C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000170956750 1197308560 /nfs/dbraw/zinc/30/85/60/1197308560.db2.gz BZHUPIXMTUNWQV-GDBMZVCRSA-N 2 2 387.488 0.247 20 0 GCADLP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@@H+]3CCOC(C)(C)C3)cn2)CC1 ZINC000171006173 1197309221 /nfs/dbraw/zinc/30/92/21/1197309221.db2.gz RHIAZQICIINOGN-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@H+]3CCOC(C)(C)C3)cn2)CC1 ZINC000171006173 1197309224 /nfs/dbraw/zinc/30/92/24/1197309224.db2.gz RHIAZQICIINOGN-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000106525427 1197326950 /nfs/dbraw/zinc/32/69/50/1197326950.db2.gz LIFDTFRVQWNHJC-PMACEKPBSA-N 2 2 394.608 0.680 20 0 GCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC3CC[NH+](CCN(C)C)CC3)C2)CC1 ZINC000106526732 1197327261 /nfs/dbraw/zinc/32/72/61/1197327261.db2.gz PMPUAPDJWKJLRC-IBGZPJMESA-N 2 2 380.581 0.434 20 0 GCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000107372275 1197327636 /nfs/dbraw/zinc/32/76/36/1197327636.db2.gz QOJFPBPLVAZJDO-ROUUACIJSA-N 2 2 380.533 0.500 20 0 GCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000107372275 1197327639 /nfs/dbraw/zinc/32/76/39/1197327639.db2.gz QOJFPBPLVAZJDO-ROUUACIJSA-N 2 2 380.533 0.500 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)CC1 ZINC000107370203 1197327946 /nfs/dbraw/zinc/32/79/46/1197327946.db2.gz FNBJAQUEJGXRNX-WOJBJXKFSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)CC1 ZINC000107370203 1197327948 /nfs/dbraw/zinc/32/79/48/1197327948.db2.gz FNBJAQUEJGXRNX-WOJBJXKFSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000107370203 1197327953 /nfs/dbraw/zinc/32/79/53/1197327953.db2.gz FNBJAQUEJGXRNX-WOJBJXKFSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000107370203 1197327959 /nfs/dbraw/zinc/32/79/59/1197327959.db2.gz FNBJAQUEJGXRNX-WOJBJXKFSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@@H]2CCN(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000107370203 1197327962 /nfs/dbraw/zinc/32/79/62/1197327962.db2.gz FNBJAQUEJGXRNX-WOJBJXKFSA-N 2 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@@H]2CCN(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000107370203 1197327967 /nfs/dbraw/zinc/32/79/67/1197327967.db2.gz FNBJAQUEJGXRNX-WOJBJXKFSA-N 2 2 395.592 0.171 20 0 GCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536544464 1197356556 /nfs/dbraw/zinc/35/65/56/1197356556.db2.gz IQWFVEUKAFHFNT-WBVHZDCISA-N 2 2 377.537 0.654 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000625869743 1197358441 /nfs/dbraw/zinc/35/84/41/1197358441.db2.gz GBYVUOBLFPHPAL-OAHLLOKOSA-N 2 2 386.460 0.674 20 0 GCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1C ZINC000536553532 1197359531 /nfs/dbraw/zinc/35/95/31/1197359531.db2.gz BMVUQXBPMJEURF-DLBZAZTESA-N 2 2 375.521 0.723 20 0 GCADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1C ZINC000536553532 1197359535 /nfs/dbraw/zinc/35/95/35/1197359535.db2.gz BMVUQXBPMJEURF-DLBZAZTESA-N 2 2 375.521 0.723 20 0 GCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1C ZINC000536553541 1197359974 /nfs/dbraw/zinc/35/99/74/1197359974.db2.gz BMVUQXBPMJEURF-SJORKVTESA-N 2 2 375.521 0.723 20 0 GCADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1C ZINC000536553541 1197359976 /nfs/dbraw/zinc/35/99/76/1197359976.db2.gz BMVUQXBPMJEURF-SJORKVTESA-N 2 2 375.521 0.723 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000128168594 1197363231 /nfs/dbraw/zinc/36/32/31/1197363231.db2.gz ZPWPOCHZWBMYEY-QGZVFWFLSA-N 2 2 386.500 0.610 20 0 GCADLP C[C@H](C[NH+]1CCC[C@@H](N2CCNC2=O)C1)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663989 1197366511 /nfs/dbraw/zinc/36/65/11/1197366511.db2.gz SZKUUJBDMHJYDK-NNZMDNLPSA-N 2 2 392.548 0.602 20 0 GCADLP C[C@H](C[NH+]1CCC[C@@H](N2CCNC2=O)C1)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663989 1197366515 /nfs/dbraw/zinc/36/65/15/1197366515.db2.gz SZKUUJBDMHJYDK-NNZMDNLPSA-N 2 2 392.548 0.602 20 0 GCADLP C[C@@H](C[NH+]1CCC[C@H](N2CCNC2=O)C1)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663989 1197366518 /nfs/dbraw/zinc/36/65/18/1197366518.db2.gz SZKUUJBDMHJYDK-NNZMDNLPSA-N 2 2 392.548 0.602 20 0 GCADLP C[C@@H](C[NH+]1CCC[C@H](N2CCNC2=O)C1)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663989 1197366521 /nfs/dbraw/zinc/36/65/21/1197366521.db2.gz SZKUUJBDMHJYDK-NNZMDNLPSA-N 2 2 392.548 0.602 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(=O)NCC(F)(F)F)CC2)CC1 ZINC000051761406 1197383685 /nfs/dbraw/zinc/38/36/85/1197383685.db2.gz KNCYTUKIAOITIJ-UHFFFAOYSA-N 2 2 379.427 0.523 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000532713780 1197397045 /nfs/dbraw/zinc/39/70/45/1197397045.db2.gz IFJFEULTKWOUPG-CQSZACIVSA-N 2 2 375.473 0.766 20 0 GCADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684258 1197397444 /nfs/dbraw/zinc/39/74/44/1197397444.db2.gz NEBMZJOZGQIPPN-GJZGRUSLSA-N 2 2 379.457 0.521 20 0 GCADLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684258 1197397446 /nfs/dbraw/zinc/39/74/46/1197397446.db2.gz NEBMZJOZGQIPPN-GJZGRUSLSA-N 2 2 379.457 0.521 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)N1CC[NH+](C)CC1 ZINC000193915717 1197397728 /nfs/dbraw/zinc/39/77/28/1197397728.db2.gz MBDOYKTZBUTEJH-LJQANCHMSA-N 2 2 387.528 0.959 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)N1CC[NH+](C)CC1 ZINC000193915717 1197397731 /nfs/dbraw/zinc/39/77/31/1197397731.db2.gz MBDOYKTZBUTEJH-LJQANCHMSA-N 2 2 387.528 0.959 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000666734564 1197398064 /nfs/dbraw/zinc/39/80/64/1197398064.db2.gz YLJXNYSLFIDYOE-HNNXBMFYSA-N 2 2 375.473 0.574 20 0 GCADLP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000195259691 1197400806 /nfs/dbraw/zinc/40/08/06/1197400806.db2.gz OLQYZQBYZZODJX-INIZCTEOSA-N 2 2 380.533 0.546 20 0 GCADLP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cc1c[nH+]cn1C ZINC000614864342 1197403215 /nfs/dbraw/zinc/40/32/15/1197403215.db2.gz CODJTSKCKSNXLL-UHFFFAOYSA-N 2 2 383.452 0.649 20 0 GCADLP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cc1c[nH+]cn1C ZINC000614864342 1197403217 /nfs/dbraw/zinc/40/32/17/1197403217.db2.gz CODJTSKCKSNXLL-UHFFFAOYSA-N 2 2 383.452 0.649 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419250089 1197415350 /nfs/dbraw/zinc/41/53/50/1197415350.db2.gz YXLITBFPBQPNEX-CQSZACIVSA-N 2 2 392.500 0.292 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419250089 1197415351 /nfs/dbraw/zinc/41/53/51/1197415351.db2.gz YXLITBFPBQPNEX-CQSZACIVSA-N 2 2 392.500 0.292 20 0 GCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000614866343 1197447755 /nfs/dbraw/zinc/44/77/55/1197447755.db2.gz UDORQKOGVNFCNR-UHFFFAOYSA-N 2 2 383.452 0.947 20 0 GCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000614866343 1197447758 /nfs/dbraw/zinc/44/77/58/1197447758.db2.gz UDORQKOGVNFCNR-UHFFFAOYSA-N 2 2 383.452 0.947 20 0 GCADLP CN(c1ccccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000246198459 1197454067 /nfs/dbraw/zinc/45/40/67/1197454067.db2.gz LQQFMHAIEHHVLA-SFHVURJKSA-N 2 2 385.512 0.360 20 0 GCADLP CN(c1ccccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000246198459 1197454069 /nfs/dbraw/zinc/45/40/69/1197454069.db2.gz LQQFMHAIEHHVLA-SFHVURJKSA-N 2 2 385.512 0.360 20 0 GCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000533484704 1197454846 /nfs/dbraw/zinc/45/48/46/1197454846.db2.gz QZOFBFSWSXXBKQ-MRXNPFEDSA-N 3 2 382.549 0.792 20 0 GCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000533484704 1197454849 /nfs/dbraw/zinc/45/48/49/1197454849.db2.gz QZOFBFSWSXXBKQ-MRXNPFEDSA-N 3 2 382.549 0.792 20 0 GCADLP CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650372 1197464939 /nfs/dbraw/zinc/46/49/39/1197464939.db2.gz YSKJEWHWGKRIIV-UONOGXRCSA-N 2 2 392.504 0.879 20 0 GCADLP CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650372 1197464942 /nfs/dbraw/zinc/46/49/42/1197464942.db2.gz YSKJEWHWGKRIIV-UONOGXRCSA-N 2 2 392.504 0.879 20 0 GCADLP C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)C(N)=O ZINC001211998547 1197465874 /nfs/dbraw/zinc/46/58/74/1197465874.db2.gz UQXWXARTDARKIV-SMDDNHRTSA-N 2 2 383.412 0.172 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC000246361413 1197466014 /nfs/dbraw/zinc/46/60/14/1197466014.db2.gz FKMXFGOGJAQCRS-BRSBDYLESA-N 2 2 380.533 0.545 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC000246361413 1197466015 /nfs/dbraw/zinc/46/60/15/1197466015.db2.gz FKMXFGOGJAQCRS-BRSBDYLESA-N 2 2 380.533 0.545 20 0 GCADLP C[N@H+](CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000069294458 1197468693 /nfs/dbraw/zinc/46/86/93/1197468693.db2.gz YEEXRQJWELWTBB-IBGZPJMESA-N 2 2 388.512 0.415 20 0 GCADLP C[N@@H+](CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000069294458 1197468694 /nfs/dbraw/zinc/46/86/94/1197468694.db2.gz YEEXRQJWELWTBB-IBGZPJMESA-N 2 2 388.512 0.415 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1=O ZINC000246434539 1197469974 /nfs/dbraw/zinc/46/99/74/1197469974.db2.gz NEBWWKSCUOWQIZ-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1=O ZINC000246434539 1197469976 /nfs/dbraw/zinc/46/99/76/1197469976.db2.gz NEBWWKSCUOWQIZ-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC000246434539 1197469978 /nfs/dbraw/zinc/46/99/78/1197469978.db2.gz NEBWWKSCUOWQIZ-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC000246434539 1197469979 /nfs/dbraw/zinc/46/99/79/1197469979.db2.gz NEBWWKSCUOWQIZ-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000246689777 1197473243 /nfs/dbraw/zinc/47/32/43/1197473243.db2.gz BMMWYAGHBZYIEG-IPMKNSEASA-N 2 2 392.544 0.642 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000246689777 1197473244 /nfs/dbraw/zinc/47/32/44/1197473244.db2.gz BMMWYAGHBZYIEG-IPMKNSEASA-N 2 2 392.544 0.642 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)S(C)(=O)=O ZINC000248150364 1197478581 /nfs/dbraw/zinc/47/85/81/1197478581.db2.gz QSYFCMCUCZLWND-DLBZAZTESA-N 2 2 388.578 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)S(C)(=O)=O ZINC000248150364 1197478585 /nfs/dbraw/zinc/47/85/85/1197478585.db2.gz QSYFCMCUCZLWND-DLBZAZTESA-N 2 2 388.578 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC000248150364 1197478589 /nfs/dbraw/zinc/47/85/89/1197478589.db2.gz QSYFCMCUCZLWND-DLBZAZTESA-N 2 2 388.578 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)S(C)(=O)=O ZINC000248150364 1197478593 /nfs/dbraw/zinc/47/85/93/1197478593.db2.gz QSYFCMCUCZLWND-DLBZAZTESA-N 2 2 388.578 0.579 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CC[NH2+]C[C@H]3C)CC2)cc1OC ZINC000261754485 1197513467 /nfs/dbraw/zinc/51/34/67/1197513467.db2.gz KOBRRCAGFQGMBC-QGZVFWFLSA-N 2 2 390.528 0.950 20 0 GCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000261763970 1197514020 /nfs/dbraw/zinc/51/40/20/1197514020.db2.gz QPBUGVUSLPARQM-IBGZPJMESA-N 2 2 382.512 0.711 20 0 GCADLP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000261896053 1197518058 /nfs/dbraw/zinc/51/80/58/1197518058.db2.gz RCBMDVQTMHWYRO-NVXWUHKLSA-N 2 2 399.495 0.552 20 0 GCADLP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000261896053 1197518060 /nfs/dbraw/zinc/51/80/60/1197518060.db2.gz RCBMDVQTMHWYRO-NVXWUHKLSA-N 2 2 399.495 0.552 20 0 GCADLP CCC(CC)(C[NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261921825 1197519334 /nfs/dbraw/zinc/51/93/34/1197519334.db2.gz IRMATHGTCHIKSP-UHFFFAOYSA-N 2 2 397.545 0.415 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@@H](N3CC[NH2+]CC3)C1)CC2 ZINC000262273588 1197528024 /nfs/dbraw/zinc/52/80/24/1197528024.db2.gz KRUTXJAKHLBJDC-GOSISDBHSA-N 2 2 388.512 0.568 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@@H](N3CC[NH2+]CC3)C1)CC2 ZINC000262273588 1197528027 /nfs/dbraw/zinc/52/80/27/1197528027.db2.gz KRUTXJAKHLBJDC-GOSISDBHSA-N 2 2 388.512 0.568 20 0 GCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)C1 ZINC000999552858 1198948083 /nfs/dbraw/zinc/94/80/83/1198948083.db2.gz DGRRQFBPKSCIGM-LTIDMASMSA-N 2 2 375.473 0.240 20 0 GCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)C1 ZINC000999552858 1198948089 /nfs/dbraw/zinc/94/80/89/1198948089.db2.gz DGRRQFBPKSCIGM-LTIDMASMSA-N 2 2 375.473 0.240 20 0 GCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)C1 ZINC000999552860 1198948123 /nfs/dbraw/zinc/94/81/23/1198948123.db2.gz DGRRQFBPKSCIGM-QZWWFDLISA-N 2 2 375.473 0.240 20 0 GCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)C1 ZINC000999552860 1198948126 /nfs/dbraw/zinc/94/81/26/1198948126.db2.gz DGRRQFBPKSCIGM-QZWWFDLISA-N 2 2 375.473 0.240 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000672014361 1199004919 /nfs/dbraw/zinc/00/49/19/1199004919.db2.gz SMLRQGBVICTZEV-LZLYRXPVSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)C1CC[NH+](C)CC1 ZINC000672013447 1199005634 /nfs/dbraw/zinc/00/56/34/1199005634.db2.gz DSZHMTFKIXLDCB-INIZCTEOSA-N 2 2 390.532 0.301 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C1CC[NH+](C)CC1 ZINC000672013447 1199005641 /nfs/dbraw/zinc/00/56/41/1199005641.db2.gz DSZHMTFKIXLDCB-INIZCTEOSA-N 2 2 390.532 0.301 20 0 GCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)([NH+](C)C)C1 ZINC000671370173 1199068754 /nfs/dbraw/zinc/06/87/54/1199068754.db2.gz ICXWVDAOSRQYAR-LVCYWYKZSA-N 2 2 394.560 0.936 20 0 GCADLP C[N@H+](CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000265742014 1199103644 /nfs/dbraw/zinc/10/36/44/1199103644.db2.gz NHSBPIPGIGCEAT-UHFFFAOYSA-N 2 2 389.504 0.239 20 0 GCADLP C[N@@H+](CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000265742014 1199103646 /nfs/dbraw/zinc/10/36/46/1199103646.db2.gz NHSBPIPGIGCEAT-UHFFFAOYSA-N 2 2 389.504 0.239 20 0 GCADLP C[N@H+](CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000265742014 1199103648 /nfs/dbraw/zinc/10/36/48/1199103648.db2.gz NHSBPIPGIGCEAT-UHFFFAOYSA-N 2 2 389.504 0.239 20 0 GCADLP C[N@@H+](CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000265742014 1199103651 /nfs/dbraw/zinc/10/36/51/1199103651.db2.gz NHSBPIPGIGCEAT-UHFFFAOYSA-N 2 2 389.504 0.239 20 0 GCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000627301734 1199113115 /nfs/dbraw/zinc/11/31/15/1199113115.db2.gz MVUCUVFVGKTNDB-IBGZPJMESA-N 2 2 388.512 0.591 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCOCc3ccccc3)C2)CC1 ZINC000672162664 1199148558 /nfs/dbraw/zinc/14/85/58/1199148558.db2.gz ZFNJVNJVHFPSGF-GOSISDBHSA-N 2 2 388.512 0.604 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCOCc3ccccc3)C2)CC1 ZINC000672162664 1199148559 /nfs/dbraw/zinc/14/85/59/1199148559.db2.gz ZFNJVNJVHFPSGF-GOSISDBHSA-N 2 2 388.512 0.604 20 0 GCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000672165698 1199150282 /nfs/dbraw/zinc/15/02/82/1199150282.db2.gz FJWKFJXRMZGMFW-QGZVFWFLSA-N 2 2 389.500 0.394 20 0 GCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NCC2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000465887849 1199152222 /nfs/dbraw/zinc/15/22/22/1199152222.db2.gz LDSRZJXABIBPHF-INIZCTEOSA-N 2 2 391.520 0.491 20 0 GCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NCC2CC[NH+](CCO)CC2)[nH+]cn1 ZINC000465887849 1199152229 /nfs/dbraw/zinc/15/22/29/1199152229.db2.gz LDSRZJXABIBPHF-INIZCTEOSA-N 2 2 391.520 0.491 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCc4c3cccc4O)C2)CC1 ZINC000672200560 1199157435 /nfs/dbraw/zinc/15/74/35/1199157435.db2.gz BSOQIZRWZFSOEI-KBXCAEBGSA-N 2 2 386.496 0.780 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCc4c3cccc4O)C2)CC1 ZINC000672200560 1199157437 /nfs/dbraw/zinc/15/74/37/1199157437.db2.gz BSOQIZRWZFSOEI-KBXCAEBGSA-N 2 2 386.496 0.780 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCc4c3cccc4O)C2)CC1 ZINC000672200562 1199157588 /nfs/dbraw/zinc/15/75/88/1199157588.db2.gz BSOQIZRWZFSOEI-KSSFIOAISA-N 2 2 386.496 0.780 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCc4c3cccc4O)C2)CC1 ZINC000672200562 1199157593 /nfs/dbraw/zinc/15/75/93/1199157593.db2.gz BSOQIZRWZFSOEI-KSSFIOAISA-N 2 2 386.496 0.780 20 0 GCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672204401 1199159761 /nfs/dbraw/zinc/15/97/61/1199159761.db2.gz UIGRAGUVMFGMPP-WMZOPIPTSA-N 3 2 379.549 0.262 20 0 GCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672204401 1199159765 /nfs/dbraw/zinc/15/97/65/1199159765.db2.gz UIGRAGUVMFGMPP-WMZOPIPTSA-N 3 2 379.549 0.262 20 0 GCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672204401 1199159769 /nfs/dbraw/zinc/15/97/69/1199159769.db2.gz UIGRAGUVMFGMPP-WMZOPIPTSA-N 3 2 379.549 0.262 20 0 GCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672204401 1199159773 /nfs/dbraw/zinc/15/97/73/1199159773.db2.gz UIGRAGUVMFGMPP-WMZOPIPTSA-N 3 2 379.549 0.262 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C1CC1 ZINC000672206937 1199160507 /nfs/dbraw/zinc/16/05/07/1199160507.db2.gz AXCOYTODSOXOQE-YJBOKZPZSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C1CC1 ZINC000672206937 1199160511 /nfs/dbraw/zinc/16/05/11/1199160511.db2.gz AXCOYTODSOXOQE-YJBOKZPZSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206937 1199160515 /nfs/dbraw/zinc/16/05/15/1199160515.db2.gz AXCOYTODSOXOQE-YJBOKZPZSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206937 1199160519 /nfs/dbraw/zinc/16/05/19/1199160519.db2.gz AXCOYTODSOXOQE-YJBOKZPZSA-N 3 2 379.549 0.212 20 0 GCADLP CN(C(=O)C(=O)NCC1(C)CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672263807 1199177952 /nfs/dbraw/zinc/17/79/52/1199177952.db2.gz JIEWIMPVOWCWHB-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C(=O)C(=O)NCC1(C)CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672263807 1199177955 /nfs/dbraw/zinc/17/79/55/1199177955.db2.gz JIEWIMPVOWCWHB-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794753 1199218859 /nfs/dbraw/zinc/21/88/59/1199218859.db2.gz AOBBEGZEHYLYLC-LPHOPBHVSA-N 2 2 395.507 0.918 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794753 1199218862 /nfs/dbraw/zinc/21/88/62/1199218862.db2.gz AOBBEGZEHYLYLC-LPHOPBHVSA-N 2 2 395.507 0.918 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794753 1199218864 /nfs/dbraw/zinc/21/88/64/1199218864.db2.gz AOBBEGZEHYLYLC-LPHOPBHVSA-N 2 2 395.507 0.918 20 0 GCADLP CO[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212451034 1199227034 /nfs/dbraw/zinc/22/70/34/1199227034.db2.gz KQBAMJAHTYBWJZ-VBSBHUPXSA-N 2 2 391.512 0.738 20 0 GCADLP CO[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212451034 1199227038 /nfs/dbraw/zinc/22/70/38/1199227038.db2.gz KQBAMJAHTYBWJZ-VBSBHUPXSA-N 2 2 391.512 0.738 20 0 GCADLP CO[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001212451034 1199227040 /nfs/dbraw/zinc/22/70/40/1199227040.db2.gz KQBAMJAHTYBWJZ-VBSBHUPXSA-N 2 2 391.512 0.738 20 0 GCADLP CO[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001212451034 1199227043 /nfs/dbraw/zinc/22/70/43/1199227043.db2.gz KQBAMJAHTYBWJZ-VBSBHUPXSA-N 2 2 391.512 0.738 20 0 GCADLP Cc1noc(C)c1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672448546 1199236706 /nfs/dbraw/zinc/23/67/06/1199236706.db2.gz WCPVYTKXEPMPMA-QGZVFWFLSA-N 2 2 391.516 0.577 20 0 GCADLP Cc1noc(C)c1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672448546 1199236714 /nfs/dbraw/zinc/23/67/14/1199236714.db2.gz WCPVYTKXEPMPMA-QGZVFWFLSA-N 2 2 391.516 0.577 20 0 GCADLP CC(C)n1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672600290 1199280271 /nfs/dbraw/zinc/28/02/71/1199280271.db2.gz JUUUVMRXQSSOOX-GOSISDBHSA-N 2 2 390.532 0.707 20 0 GCADLP CC(C)n1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672600290 1199280274 /nfs/dbraw/zinc/28/02/74/1199280274.db2.gz JUUUVMRXQSSOOX-GOSISDBHSA-N 2 2 390.532 0.707 20 0 GCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672598721 1199280343 /nfs/dbraw/zinc/28/03/43/1199280343.db2.gz DJMPXACETJYDNB-GUDVDZBRSA-N 2 2 392.544 0.833 20 0 GCADLP Cc1cnc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637404 1199287131 /nfs/dbraw/zinc/28/71/31/1199287131.db2.gz GOJKGSCEMBGIFI-ZIAGYGMSSA-N 2 2 379.530 0.913 20 0 GCADLP Cc1cnc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637404 1199287135 /nfs/dbraw/zinc/28/71/35/1199287135.db2.gz GOJKGSCEMBGIFI-ZIAGYGMSSA-N 2 2 379.530 0.913 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672637523 1199287601 /nfs/dbraw/zinc/28/76/01/1199287601.db2.gz IYYOAFLQEUTMAT-RDJZCZTQSA-N 2 2 382.574 0.871 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672637523 1199287605 /nfs/dbraw/zinc/28/76/05/1199287605.db2.gz IYYOAFLQEUTMAT-RDJZCZTQSA-N 2 2 382.574 0.871 20 0 GCADLP Cc1cnc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637401 1199287746 /nfs/dbraw/zinc/28/77/46/1199287746.db2.gz GOJKGSCEMBGIFI-KBPBESRZSA-N 2 2 379.530 0.913 20 0 GCADLP Cc1cnc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672637401 1199287754 /nfs/dbraw/zinc/28/77/54/1199287754.db2.gz GOJKGSCEMBGIFI-KBPBESRZSA-N 2 2 379.530 0.913 20 0 GCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638552 1199288599 /nfs/dbraw/zinc/28/85/99/1199288599.db2.gz UEGCAJHBSXXIIK-QGZVFWFLSA-N 3 2 381.565 0.461 20 0 GCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638552 1199288603 /nfs/dbraw/zinc/28/86/03/1199288603.db2.gz UEGCAJHBSXXIIK-QGZVFWFLSA-N 3 2 381.565 0.461 20 0 GCADLP C[C@@H]1C[C@H](CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637820 1199291418 /nfs/dbraw/zinc/29/14/18/1199291418.db2.gz CYCYKYVOXCTEMG-BRWVUGGUSA-N 2 2 380.533 0.593 20 0 GCADLP C[C@@H]1C[C@H](CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637820 1199291422 /nfs/dbraw/zinc/29/14/22/1199291422.db2.gz CYCYKYVOXCTEMG-BRWVUGGUSA-N 2 2 380.533 0.593 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637817 1199292013 /nfs/dbraw/zinc/29/20/13/1199292013.db2.gz CUKKXEIDGBRUIM-FUHWJXTLSA-N 3 2 379.549 0.214 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637817 1199292015 /nfs/dbraw/zinc/29/20/15/1199292015.db2.gz CUKKXEIDGBRUIM-FUHWJXTLSA-N 3 2 379.549 0.214 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(C)o1 ZINC000672640385 1199293953 /nfs/dbraw/zinc/29/39/53/1199293953.db2.gz CJBKSPVQAJUOKK-NVXWUHKLSA-N 2 2 392.500 0.676 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(C)o1 ZINC000672640385 1199293956 /nfs/dbraw/zinc/29/39/56/1199293956.db2.gz CJBKSPVQAJUOKK-NVXWUHKLSA-N 2 2 392.500 0.676 20 0 GCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640497 1199294047 /nfs/dbraw/zinc/29/40/47/1199294047.db2.gz WAEXZAMXGSRGCS-KRWDZBQOSA-N 3 2 393.576 0.604 20 0 GCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640497 1199294049 /nfs/dbraw/zinc/29/40/49/1199294049.db2.gz WAEXZAMXGSRGCS-KRWDZBQOSA-N 3 2 393.576 0.604 20 0 GCADLP CC(C)OC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638782 1199294152 /nfs/dbraw/zinc/29/41/52/1199294152.db2.gz WFVWKHXUVKWGGC-INIZCTEOSA-N 2 2 380.533 0.687 20 0 GCADLP CC(C)OC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638782 1199294154 /nfs/dbraw/zinc/29/41/54/1199294154.db2.gz WFVWKHXUVKWGGC-INIZCTEOSA-N 2 2 380.533 0.687 20 0 GCADLP Cc1csc([C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672640428 1199294355 /nfs/dbraw/zinc/29/43/55/1199294355.db2.gz IPTBEROSGHSKES-UKRRQHHQSA-N 2 2 393.557 0.956 20 0 GCADLP Cc1csc([C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672640428 1199294360 /nfs/dbraw/zinc/29/43/60/1199294360.db2.gz IPTBEROSGHSKES-UKRRQHHQSA-N 2 2 393.557 0.956 20 0 GCADLP CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639214 1199294382 /nfs/dbraw/zinc/29/43/82/1199294382.db2.gz KIBCAPUTHVFWCR-XYJFISCASA-N 2 2 380.533 0.281 20 0 GCADLP CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639214 1199294387 /nfs/dbraw/zinc/29/43/87/1199294387.db2.gz KIBCAPUTHVFWCR-XYJFISCASA-N 2 2 380.533 0.281 20 0 GCADLP CCC1(CC)[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1OC ZINC000672638768 1199294586 /nfs/dbraw/zinc/29/45/86/1199294586.db2.gz VPUGYZDOTSBRRH-JQHSSLGASA-N 2 2 394.560 0.981 20 0 GCADLP CCC1(CC)[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1OC ZINC000672638768 1199294589 /nfs/dbraw/zinc/29/45/89/1199294589.db2.gz VPUGYZDOTSBRRH-JQHSSLGASA-N 2 2 394.560 0.981 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)C2)CC1 ZINC000672639132 1199294638 /nfs/dbraw/zinc/29/46/38/1199294638.db2.gz ZRSINLZJSKPHOV-JKSUJKDBSA-N 2 2 388.516 0.400 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)C2)CC1 ZINC000672639132 1199294642 /nfs/dbraw/zinc/29/46/42/1199294642.db2.gz ZRSINLZJSKPHOV-JKSUJKDBSA-N 2 2 388.516 0.400 20 0 GCADLP COc1cc(F)cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672640251 1199295945 /nfs/dbraw/zinc/29/59/45/1199295945.db2.gz YFDVECKRQINAMT-MRXNPFEDSA-N 2 2 392.475 0.735 20 0 GCADLP COc1cc(F)cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672640251 1199295951 /nfs/dbraw/zinc/29/59/51/1199295951.db2.gz YFDVECKRQINAMT-MRXNPFEDSA-N 2 2 392.475 0.735 20 0 GCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640240 1199296361 /nfs/dbraw/zinc/29/63/61/1199296361.db2.gz YDHZVODNMOJDQX-DLBZAZTESA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640240 1199296362 /nfs/dbraw/zinc/29/63/62/1199296362.db2.gz YDHZVODNMOJDQX-DLBZAZTESA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640240 1199296365 /nfs/dbraw/zinc/29/63/65/1199296365.db2.gz YDHZVODNMOJDQX-DLBZAZTESA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640240 1199296368 /nfs/dbraw/zinc/29/63/68/1199296368.db2.gz YDHZVODNMOJDQX-DLBZAZTESA-N 3 2 379.549 0.071 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641028 1199298136 /nfs/dbraw/zinc/29/81/36/1199298136.db2.gz KDNCJZSXYOZXFK-JENIJYKNSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641028 1199298138 /nfs/dbraw/zinc/29/81/38/1199298138.db2.gz KDNCJZSXYOZXFK-JENIJYKNSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641028 1199298142 /nfs/dbraw/zinc/29/81/42/1199298142.db2.gz KDNCJZSXYOZXFK-JENIJYKNSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641028 1199298147 /nfs/dbraw/zinc/29/81/47/1199298147.db2.gz KDNCJZSXYOZXFK-JENIJYKNSA-N 3 2 391.560 0.214 20 0 GCADLP Cn1cccc1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641528 1199298498 /nfs/dbraw/zinc/29/84/98/1199298498.db2.gz RDTHCRSTWCAXKL-QFBILLFUSA-N 2 2 387.528 0.973 20 0 GCADLP Cn1cccc1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641528 1199298501 /nfs/dbraw/zinc/29/85/01/1199298501.db2.gz RDTHCRSTWCAXKL-QFBILLFUSA-N 2 2 387.528 0.973 20 0 GCADLP CCOC1CC(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641124 1199298892 /nfs/dbraw/zinc/29/88/92/1199298892.db2.gz LOWINHGRKJBARO-PQUAAJSLSA-N 2 2 380.533 0.593 20 0 GCADLP CCOC1CC(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641124 1199298895 /nfs/dbraw/zinc/29/88/95/1199298895.db2.gz LOWINHGRKJBARO-PQUAAJSLSA-N 2 2 380.533 0.593 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@H](C(C)(C)C)C3)C2)CC1 ZINC000672641085 1199299262 /nfs/dbraw/zinc/29/92/62/1199299262.db2.gz KZGRIJDDVFIGLC-BQFCYCMXSA-N 2 2 394.560 0.981 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@H](C(C)(C)C)C3)C2)CC1 ZINC000672641085 1199299266 /nfs/dbraw/zinc/29/92/66/1199299266.db2.gz KZGRIJDDVFIGLC-BQFCYCMXSA-N 2 2 394.560 0.981 20 0 GCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640968 1199299362 /nfs/dbraw/zinc/29/93/62/1199299362.db2.gz HSVQAMYJFVJVAC-ZWKOTPCHSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640968 1199299364 /nfs/dbraw/zinc/29/93/64/1199299364.db2.gz HSVQAMYJFVJVAC-ZWKOTPCHSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640968 1199299366 /nfs/dbraw/zinc/29/93/66/1199299366.db2.gz HSVQAMYJFVJVAC-ZWKOTPCHSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640968 1199299368 /nfs/dbraw/zinc/29/93/68/1199299368.db2.gz HSVQAMYJFVJVAC-ZWKOTPCHSA-N 3 2 393.576 0.604 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([C@H]4CCOC4)C3)C2)CC1 ZINC000672642088 1199300144 /nfs/dbraw/zinc/30/01/44/1199300144.db2.gz XMTYJSQADQIBOY-IKGGRYGDSA-N 2 2 378.517 0.156 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([C@H]4CCOC4)C3)C2)CC1 ZINC000672642088 1199300147 /nfs/dbraw/zinc/30/01/47/1199300147.db2.gz XMTYJSQADQIBOY-IKGGRYGDSA-N 2 2 378.517 0.156 20 0 GCADLP Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641581 1199301011 /nfs/dbraw/zinc/30/10/11/1199301011.db2.gz RNPUVZSGZHSGNE-IUODEOHRSA-N 2 2 377.489 0.753 20 0 GCADLP Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641581 1199301013 /nfs/dbraw/zinc/30/10/13/1199301013.db2.gz RNPUVZSGZHSGNE-IUODEOHRSA-N 2 2 377.489 0.753 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000672642304 1199301629 /nfs/dbraw/zinc/30/16/29/1199301629.db2.gz FOVXJYHUKABMHG-ZBFHGGJFSA-N 2 2 380.533 0.733 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000672642304 1199301632 /nfs/dbraw/zinc/30/16/32/1199301632.db2.gz FOVXJYHUKABMHG-ZBFHGGJFSA-N 2 2 380.533 0.733 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643395 1199302435 /nfs/dbraw/zinc/30/24/35/1199302435.db2.gz XAWGBVBPZDDKNR-AEFFLSMTSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643395 1199302441 /nfs/dbraw/zinc/30/24/41/1199302441.db2.gz XAWGBVBPZDDKNR-AEFFLSMTSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643395 1199302445 /nfs/dbraw/zinc/30/24/45/1199302445.db2.gz XAWGBVBPZDDKNR-AEFFLSMTSA-N 3 2 393.576 0.508 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643395 1199302449 /nfs/dbraw/zinc/30/24/49/1199302449.db2.gz XAWGBVBPZDDKNR-AEFFLSMTSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642954 1199302784 /nfs/dbraw/zinc/30/27/84/1199302784.db2.gz YNFGHJIABVSBOJ-SQNIBIBYSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642954 1199302790 /nfs/dbraw/zinc/30/27/90/1199302790.db2.gz YNFGHJIABVSBOJ-SQNIBIBYSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642954 1199302794 /nfs/dbraw/zinc/30/27/94/1199302794.db2.gz YNFGHJIABVSBOJ-SQNIBIBYSA-N 3 2 393.576 0.508 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642954 1199302795 /nfs/dbraw/zinc/30/27/95/1199302795.db2.gz YNFGHJIABVSBOJ-SQNIBIBYSA-N 3 2 393.576 0.508 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672641856 1199303612 /nfs/dbraw/zinc/30/36/12/1199303612.db2.gz YLWKPCNGBDKDNJ-FUHWJXTLSA-N 2 2 379.549 0.070 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672641856 1199303614 /nfs/dbraw/zinc/30/36/14/1199303614.db2.gz YLWKPCNGBDKDNJ-FUHWJXTLSA-N 2 2 379.549 0.070 20 0 GCADLP COC[C@H]1CCCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642695 1199305111 /nfs/dbraw/zinc/30/51/11/1199305111.db2.gz DRWDSRGSNBLJJI-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP COC[C@H]1CCCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642695 1199305114 /nfs/dbraw/zinc/30/51/14/1199305114.db2.gz DRWDSRGSNBLJJI-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOCC4(CCC4)C3)C2)CC1 ZINC000672642756 1199305735 /nfs/dbraw/zinc/30/57/35/1199305735.db2.gz HGJNYPXQLZAORJ-MRXNPFEDSA-N 2 2 378.517 0.300 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOCC4(CCC4)C3)C2)CC1 ZINC000672642756 1199305741 /nfs/dbraw/zinc/30/57/41/1199305741.db2.gz HGJNYPXQLZAORJ-MRXNPFEDSA-N 2 2 378.517 0.300 20 0 GCADLP Cc1cnccc1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672778519 1199335655 /nfs/dbraw/zinc/33/56/55/1199335655.db2.gz PGUMMIQMEURIPT-LJQANCHMSA-N 2 2 387.528 0.676 20 0 GCADLP Cc1cnccc1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672778519 1199335659 /nfs/dbraw/zinc/33/56/59/1199335659.db2.gz PGUMMIQMEURIPT-LJQANCHMSA-N 2 2 387.528 0.676 20 0 GCADLP CN1CCC([NH+]2CCC(NC(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC2)CC1 ZINC000672795689 1199336473 /nfs/dbraw/zinc/33/64/73/1199336473.db2.gz ZTMZMNYJFWWZRD-UHFFFAOYSA-N 2 2 381.565 0.643 20 0 GCADLP CN1CCC([NH+]2CCC(NC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC2)CC1 ZINC000672795689 1199336478 /nfs/dbraw/zinc/33/64/78/1199336478.db2.gz ZTMZMNYJFWWZRD-UHFFFAOYSA-N 2 2 381.565 0.643 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC2)CC1 ZINC000672795689 1199336481 /nfs/dbraw/zinc/33/64/81/1199336481.db2.gz ZTMZMNYJFWWZRD-UHFFFAOYSA-N 3 2 381.565 0.643 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC2)CC1 ZINC000672795689 1199336486 /nfs/dbraw/zinc/33/64/86/1199336486.db2.gz ZTMZMNYJFWWZRD-UHFFFAOYSA-N 3 2 381.565 0.643 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672869733 1199355972 /nfs/dbraw/zinc/35/59/72/1199355972.db2.gz DXAJANAYGBGELG-RDJZCZTQSA-N 2 2 380.533 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCOC(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672869733 1199355977 /nfs/dbraw/zinc/35/59/77/1199355977.db2.gz DXAJANAYGBGELG-RDJZCZTQSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000672974932 1199378286 /nfs/dbraw/zinc/37/82/86/1199378286.db2.gz HSGVBTCYOXQXRA-SZMVWBNQSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000672974932 1199378294 /nfs/dbraw/zinc/37/82/94/1199378294.db2.gz HSGVBTCYOXQXRA-SZMVWBNQSA-N 2 2 380.533 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673054340 1199401457 /nfs/dbraw/zinc/40/14/57/1199401457.db2.gz HQMVOKLSVZOEQR-BSDSXHPESA-N 2 2 392.544 0.543 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673054340 1199401459 /nfs/dbraw/zinc/40/14/59/1199401459.db2.gz HQMVOKLSVZOEQR-BSDSXHPESA-N 2 2 392.544 0.543 20 0 GCADLP CCCC[C@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673068422 1199409457 /nfs/dbraw/zinc/40/94/57/1199409457.db2.gz XBPZYBDKPPFTQQ-SJLPKXTDSA-N 2 2 382.549 0.935 20 0 GCADLP CCCC[C@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673068422 1199409460 /nfs/dbraw/zinc/40/94/60/1199409460.db2.gz XBPZYBDKPPFTQQ-SJLPKXTDSA-N 2 2 382.549 0.935 20 0 GCADLP CCCC[C@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673068420 1199409620 /nfs/dbraw/zinc/40/96/20/1199409620.db2.gz XBPZYBDKPPFTQQ-AEFFLSMTSA-N 2 2 382.549 0.935 20 0 GCADLP CCCC[C@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673068420 1199409622 /nfs/dbraw/zinc/40/96/22/1199409622.db2.gz XBPZYBDKPPFTQQ-AEFFLSMTSA-N 2 2 382.549 0.935 20 0 GCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673129131 1199433999 /nfs/dbraw/zinc/43/39/99/1199433999.db2.gz URMKHRNRZJIGBH-QGZVFWFLSA-N 2 2 377.489 0.411 20 0 GCADLP Cc1cc(O)cc(=O)n1CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682158615 1199446711 /nfs/dbraw/zinc/44/67/11/1199446711.db2.gz PFJWMHQSZUDFQH-KRWDZBQOSA-N 2 2 376.501 0.879 20 0 GCADLP Cc1cc(O)cc(=O)n1CCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682158615 1199446712 /nfs/dbraw/zinc/44/67/12/1199446712.db2.gz PFJWMHQSZUDFQH-KRWDZBQOSA-N 2 2 376.501 0.879 20 0 GCADLP CN(C(=O)[C@H]1CCCCS1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000543091040 1199446976 /nfs/dbraw/zinc/44/69/76/1199446976.db2.gz BPJUWIWJWIOFIQ-QGZVFWFLSA-N 2 2 382.574 0.969 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000673174330 1199463696 /nfs/dbraw/zinc/46/36/96/1199463696.db2.gz FHRXMQNPAUFOBB-KCITZHQASA-N 2 2 388.512 0.458 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000673174330 1199463697 /nfs/dbraw/zinc/46/36/97/1199463697.db2.gz FHRXMQNPAUFOBB-KCITZHQASA-N 2 2 388.512 0.458 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000673174330 1199463700 /nfs/dbraw/zinc/46/37/00/1199463700.db2.gz FHRXMQNPAUFOBB-KCITZHQASA-N 2 2 388.512 0.458 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000673174330 1199463704 /nfs/dbraw/zinc/46/37/04/1199463704.db2.gz FHRXMQNPAUFOBB-KCITZHQASA-N 2 2 388.512 0.458 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673176983 1199464051 /nfs/dbraw/zinc/46/40/51/1199464051.db2.gz QBAAJPZJWNUEMW-MAUKXSAKSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673176983 1199464057 /nfs/dbraw/zinc/46/40/57/1199464057.db2.gz QBAAJPZJWNUEMW-MAUKXSAKSA-N 2 2 380.533 0.545 20 0 GCADLP COC(C)(C)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673221517 1199486792 /nfs/dbraw/zinc/48/67/92/1199486792.db2.gz PMGOFPVLERVOTO-DOTOQJQBSA-N 2 2 382.549 0.933 20 0 GCADLP COC(C)(C)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673221517 1199486796 /nfs/dbraw/zinc/48/67/96/1199486796.db2.gz PMGOFPVLERVOTO-DOTOQJQBSA-N 2 2 382.549 0.933 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224135 1199488212 /nfs/dbraw/zinc/48/82/12/1199488212.db2.gz KKTCWSOXNSGCMP-FUHWJXTLSA-N 3 2 395.592 0.706 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224135 1199488214 /nfs/dbraw/zinc/48/82/14/1199488214.db2.gz KKTCWSOXNSGCMP-FUHWJXTLSA-N 3 2 395.592 0.706 20 0 GCADLP Cc1cnc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673263183 1199507043 /nfs/dbraw/zinc/50/70/43/1199507043.db2.gz ZIZSETRCQJEDFH-OAHLLOKOSA-N 2 2 379.530 0.695 20 0 GCADLP Cc1cnc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673263183 1199507050 /nfs/dbraw/zinc/50/70/50/1199507050.db2.gz ZIZSETRCQJEDFH-OAHLLOKOSA-N 2 2 379.530 0.695 20 0 GCADLP Cc1cnc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673263182 1199507502 /nfs/dbraw/zinc/50/75/02/1199507502.db2.gz ZIZSETRCQJEDFH-HNNXBMFYSA-N 2 2 379.530 0.695 20 0 GCADLP Cc1cnc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673263182 1199507504 /nfs/dbraw/zinc/50/75/04/1199507504.db2.gz ZIZSETRCQJEDFH-HNNXBMFYSA-N 2 2 379.530 0.695 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000673275924 1199512120 /nfs/dbraw/zinc/51/21/20/1199512120.db2.gz BGNAXTVOXVRCDF-GOSISDBHSA-N 2 2 382.549 0.794 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000673275924 1199512121 /nfs/dbraw/zinc/51/21/21/1199512121.db2.gz BGNAXTVOXVRCDF-GOSISDBHSA-N 2 2 382.549 0.794 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000673287904 1199517402 /nfs/dbraw/zinc/51/74/02/1199517402.db2.gz GQIIDKHUSBBEKF-MAUKXSAKSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1CC(C)(C)O ZINC000673287904 1199517406 /nfs/dbraw/zinc/51/74/06/1199517406.db2.gz GQIIDKHUSBBEKF-MAUKXSAKSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1CC(C)(C)O ZINC000673287904 1199517410 /nfs/dbraw/zinc/51/74/10/1199517410.db2.gz GQIIDKHUSBBEKF-MAUKXSAKSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1CC(C)(C)O ZINC000673287904 1199517414 /nfs/dbraw/zinc/51/74/14/1199517414.db2.gz GQIIDKHUSBBEKF-MAUKXSAKSA-N 2 2 388.512 0.593 20 0 GCADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673287223 1199518113 /nfs/dbraw/zinc/51/81/13/1199518113.db2.gz WXSWPBKFUCCRKG-IBGZPJMESA-N 2 2 388.512 0.859 20 0 GCADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673287223 1199518117 /nfs/dbraw/zinc/51/81/17/1199518117.db2.gz WXSWPBKFUCCRKG-IBGZPJMESA-N 2 2 388.512 0.859 20 0 GCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673288312 1199518846 /nfs/dbraw/zinc/51/88/46/1199518846.db2.gz JUUYJCGKRFBMPI-PKOBYXMFSA-N 2 2 388.512 0.859 20 0 GCADLP CCc1cnc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673334236 1199545119 /nfs/dbraw/zinc/54/51/19/1199545119.db2.gz AUEPFBUMDAYOIU-HNNXBMFYSA-N 2 2 393.557 0.949 20 0 GCADLP CCc1cnc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673334236 1199545123 /nfs/dbraw/zinc/54/51/23/1199545123.db2.gz AUEPFBUMDAYOIU-HNNXBMFYSA-N 2 2 393.557 0.949 20 0 GCADLP CCc1cnc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673334239 1199545340 /nfs/dbraw/zinc/54/53/40/1199545340.db2.gz AUEPFBUMDAYOIU-OAHLLOKOSA-N 2 2 393.557 0.949 20 0 GCADLP CCc1cnc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673334239 1199545345 /nfs/dbraw/zinc/54/53/45/1199545345.db2.gz AUEPFBUMDAYOIU-OAHLLOKOSA-N 2 2 393.557 0.949 20 0 GCADLP CC(C)CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000080068333 1199569764 /nfs/dbraw/zinc/56/97/64/1199569764.db2.gz DSASPSTUQPUURQ-UHFFFAOYSA-N 2 2 377.537 0.828 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001003645196 1199609161 /nfs/dbraw/zinc/60/91/61/1199609161.db2.gz KGRSMZLTWJQAHW-IDCNUPLLSA-N 2 2 382.468 0.899 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)O1 ZINC001003707140 1199641367 /nfs/dbraw/zinc/64/13/67/1199641367.db2.gz DGWKOPNYYLCHTK-OVYGPGRDSA-N 2 2 375.473 0.240 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)O1 ZINC001003707140 1199641372 /nfs/dbraw/zinc/64/13/72/1199641372.db2.gz DGWKOPNYYLCHTK-OVYGPGRDSA-N 2 2 375.473 0.240 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)c2)CC1 ZINC000118101797 1199742910 /nfs/dbraw/zinc/74/29/10/1199742910.db2.gz LQPGZUHCYSVMIH-LJQANCHMSA-N 2 2 387.528 0.829 20 0 GCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000922447544 1199790670 /nfs/dbraw/zinc/79/06/70/1199790670.db2.gz IOXCBDPOJRNAIX-OOKSDGMUSA-N 2 2 395.548 0.480 20 0 GCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000922447544 1199790673 /nfs/dbraw/zinc/79/06/73/1199790673.db2.gz IOXCBDPOJRNAIX-OOKSDGMUSA-N 2 2 395.548 0.480 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265873201 1199825224 /nfs/dbraw/zinc/82/52/24/1199825224.db2.gz ZDRDPAUPYXUSNW-IBGZPJMESA-N 2 2 388.512 0.604 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265873201 1199825229 /nfs/dbraw/zinc/82/52/29/1199825229.db2.gz ZDRDPAUPYXUSNW-IBGZPJMESA-N 2 2 388.512 0.604 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673585046 1199828987 /nfs/dbraw/zinc/82/89/87/1199828987.db2.gz PSQDMKJKSYGFPL-KZNAEPCWSA-N 2 2 389.500 0.541 20 0 GCADLP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000673582940 1199829697 /nfs/dbraw/zinc/82/96/97/1199829697.db2.gz XZMVMVYNSKBOLP-DLBZAZTESA-N 2 2 389.500 0.610 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004394130 1199875023 /nfs/dbraw/zinc/87/50/23/1199875023.db2.gz GWGKMLVBGXBICS-HHARLNAUSA-N 2 2 383.496 0.868 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668755 1199925820 /nfs/dbraw/zinc/92/58/20/1199925820.db2.gz IWJOLZLDXFKVQK-DENIHFKCSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668755 1199925821 /nfs/dbraw/zinc/92/58/21/1199925821.db2.gz IWJOLZLDXFKVQK-DENIHFKCSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668755 1199925823 /nfs/dbraw/zinc/92/58/23/1199925823.db2.gz IWJOLZLDXFKVQK-DENIHFKCSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668755 1199925824 /nfs/dbraw/zinc/92/58/24/1199925824.db2.gz IWJOLZLDXFKVQK-DENIHFKCSA-N 3 2 386.540 0.908 20 0 GCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000673672123 1199926743 /nfs/dbraw/zinc/92/67/43/1199926743.db2.gz BWYKPAYMEQJCSN-PMACEKPBSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000673672123 1199926744 /nfs/dbraw/zinc/92/67/44/1199926744.db2.gz BWYKPAYMEQJCSN-PMACEKPBSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673672123 1199926747 /nfs/dbraw/zinc/92/67/47/1199926747.db2.gz BWYKPAYMEQJCSN-PMACEKPBSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673672123 1199926748 /nfs/dbraw/zinc/92/67/48/1199926748.db2.gz BWYKPAYMEQJCSN-PMACEKPBSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000673672125 1199926881 /nfs/dbraw/zinc/92/68/81/1199926881.db2.gz BWYKPAYMEQJCSN-VQTJNVASSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000673672125 1199926882 /nfs/dbraw/zinc/92/68/82/1199926882.db2.gz BWYKPAYMEQJCSN-VQTJNVASSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673672125 1199926886 /nfs/dbraw/zinc/92/68/86/1199926886.db2.gz BWYKPAYMEQJCSN-VQTJNVASSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673672125 1199926888 /nfs/dbraw/zinc/92/68/88/1199926888.db2.gz BWYKPAYMEQJCSN-VQTJNVASSA-N 2 2 387.528 0.569 20 0 GCADLP CCC[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000625468908 1199966373 /nfs/dbraw/zinc/96/63/73/1199966373.db2.gz XLMLQPQXUYDWKR-ZWKOTPCHSA-N 2 2 382.549 0.935 20 0 GCADLP CCC[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000625468908 1199966374 /nfs/dbraw/zinc/96/63/74/1199966374.db2.gz XLMLQPQXUYDWKR-ZWKOTPCHSA-N 2 2 382.549 0.935 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000670429500 1199991882 /nfs/dbraw/zinc/99/18/82/1199991882.db2.gz JOTRISQXVKZWTA-VQHPVUNQSA-N 2 2 380.533 0.686 20 0 GCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000670429500 1199991883 /nfs/dbraw/zinc/99/18/83/1199991883.db2.gz JOTRISQXVKZWTA-VQHPVUNQSA-N 2 2 380.533 0.686 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)C1 ZINC001004906144 1200003808 /nfs/dbraw/zinc/00/38/08/1200003808.db2.gz JYLAACHOOLREQO-WCXIOVBPSA-N 2 2 378.517 0.440 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)C1 ZINC001004906144 1200003816 /nfs/dbraw/zinc/00/38/16/1200003816.db2.gz JYLAACHOOLREQO-WCXIOVBPSA-N 2 2 378.517 0.440 20 0 GCADLP CCC(CC)(CCO)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000282516133 1200158171 /nfs/dbraw/zinc/15/81/71/1200158171.db2.gz SMYVVKQEQJTUKX-UHFFFAOYSA-N 2 2 389.504 0.543 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000674383961 1200231431 /nfs/dbraw/zinc/23/14/31/1200231431.db2.gz JVNBUXSQMCOHOA-MRXNPFEDSA-N 2 2 393.488 0.004 20 0 GCADLP Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000171981876 1200249257 /nfs/dbraw/zinc/24/92/57/1200249257.db2.gz LFMJKOREQYNTGQ-UHFFFAOYSA-N 2 2 382.530 0.740 20 0 GCADLP Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000171981876 1200249261 /nfs/dbraw/zinc/24/92/61/1200249261.db2.gz LFMJKOREQYNTGQ-UHFFFAOYSA-N 2 2 382.530 0.740 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)cc2)CC1 ZINC001118016363 1200432664 /nfs/dbraw/zinc/43/26/64/1200432664.db2.gz DIUNCTCAMYHYQV-MRXNPFEDSA-N 2 2 375.517 0.877 20 0 GCADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000675781826 1200458774 /nfs/dbraw/zinc/45/87/74/1200458774.db2.gz CNAKEDTVXWGJKJ-CQSZACIVSA-N 2 2 378.473 0.785 20 0 GCADLP OCCn1ncc2c1CCC[C@@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000675767150 1200459152 /nfs/dbraw/zinc/45/91/52/1200459152.db2.gz AZVYYQGZMFAICS-IBGZPJMESA-N 2 2 377.533 0.639 20 0 GCADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000675781834 1200459164 /nfs/dbraw/zinc/45/91/64/1200459164.db2.gz DAUYZLYCOQXYOJ-AWEZNQCLSA-N 2 2 378.473 0.785 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000675968690 1200475577 /nfs/dbraw/zinc/47/55/77/1200475577.db2.gz UTRNQHVSAUGGHG-IBGZPJMESA-N 2 2 385.512 0.950 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000675968690 1200475582 /nfs/dbraw/zinc/47/55/82/1200475582.db2.gz UTRNQHVSAUGGHG-IBGZPJMESA-N 2 2 385.512 0.950 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)C2)CC1 ZINC000676147840 1200502418 /nfs/dbraw/zinc/50/24/18/1200502418.db2.gz NPDHOWLYSLEVPZ-HRAATJIYSA-N 2 2 399.495 0.640 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)C2)CC1 ZINC000676147840 1200502421 /nfs/dbraw/zinc/50/24/21/1200502421.db2.gz NPDHOWLYSLEVPZ-HRAATJIYSA-N 2 2 399.495 0.640 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000676270614 1200524581 /nfs/dbraw/zinc/52/45/81/1200524581.db2.gz UQBFMMRLWSVPIV-MRXNPFEDSA-N 2 2 387.484 0.766 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000676270614 1200524589 /nfs/dbraw/zinc/52/45/89/1200524589.db2.gz UQBFMMRLWSVPIV-MRXNPFEDSA-N 2 2 387.484 0.766 20 0 GCADLP C[C@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676297700 1200540026 /nfs/dbraw/zinc/54/00/26/1200540026.db2.gz RTVKGHAIZHIPIS-RDJZCZTQSA-N 2 2 397.564 0.631 20 0 GCADLP C[C@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676297700 1200540030 /nfs/dbraw/zinc/54/00/30/1200540030.db2.gz RTVKGHAIZHIPIS-RDJZCZTQSA-N 2 2 397.564 0.631 20 0 GCADLP C[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000131945067 1200557492 /nfs/dbraw/zinc/55/74/92/1200557492.db2.gz NGKQTDGIFAGEID-KRWDZBQOSA-N 2 2 394.560 0.746 20 0 GCADLP [NH3+]Cc1nc(=O)[nH]n1-c1cc(N2CCC[C@@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001168760387 1200564808 /nfs/dbraw/zinc/56/48/08/1200564808.db2.gz JMVFAVJDTUPHFF-GFCCVEGCSA-N 2 2 382.428 0.941 20 0 GCADLP O=C(C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000676567191 1200571259 /nfs/dbraw/zinc/57/12/59/1200571259.db2.gz RFPRXTPPPORFAJ-WMZOPIPTSA-N 2 2 379.526 0.849 20 0 GCADLP O=C(C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000676567191 1200571266 /nfs/dbraw/zinc/57/12/66/1200571266.db2.gz RFPRXTPPPORFAJ-WMZOPIPTSA-N 2 2 379.526 0.849 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000676712517 1200587277 /nfs/dbraw/zinc/58/72/77/1200587277.db2.gz LDBJDTAMBACMPB-PKOBYXMFSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000676712517 1200587279 /nfs/dbraw/zinc/58/72/79/1200587279.db2.gz LDBJDTAMBACMPB-PKOBYXMFSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000676712517 1200587286 /nfs/dbraw/zinc/58/72/86/1200587286.db2.gz LDBJDTAMBACMPB-PKOBYXMFSA-N 2 2 391.560 0.168 20 0 GCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000676712517 1200587292 /nfs/dbraw/zinc/58/72/92/1200587292.db2.gz LDBJDTAMBACMPB-PKOBYXMFSA-N 2 2 391.560 0.168 20 0 GCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271414 1200599045 /nfs/dbraw/zinc/59/90/45/1200599045.db2.gz DLMVHAWJMZTTBB-KONPQCLYSA-N 2 2 387.488 0.583 20 0 GCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271414 1200599048 /nfs/dbraw/zinc/59/90/48/1200599048.db2.gz DLMVHAWJMZTTBB-KONPQCLYSA-N 2 2 387.488 0.583 20 0 GCADLP C[NH+](C)[C@@]1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCSC1 ZINC000443900611 1200649478 /nfs/dbraw/zinc/64/94/78/1200649478.db2.gz NMYDVRNYRRNMPK-QGZVFWFLSA-N 2 2 382.534 0.774 20 0 GCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376617434 1200702092 /nfs/dbraw/zinc/70/20/92/1200702092.db2.gz VPNVXMUYODKOEH-RDJZCZTQSA-N 2 2 376.505 1.477 20 0 GCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435242532 1200863895 /nfs/dbraw/zinc/86/38/95/1200863895.db2.gz LLHFXDDKUTXNHG-MRXNPFEDSA-N 2 2 378.392 1.281 20 0 GCADLP Cc1ccc(NCCCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[nH+]c1 ZINC000457739569 1200939695 /nfs/dbraw/zinc/93/96/95/1200939695.db2.gz RUVJZTWDHKGONV-UHFFFAOYSA-N 2 2 391.516 1.373 20 0 GCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(N)nc(N(C)C)n1 ZINC000371158727 1201097259 /nfs/dbraw/zinc/09/72/59/1201097259.db2.gz WDWGHFZWZPLIHY-UHFFFAOYSA-N 2 2 390.580 1.148 20 0 GCADLP CN(C(=O)Cc1ccc(O)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000136833896 1201187786 /nfs/dbraw/zinc/18/77/86/1201187786.db2.gz WMSGVROOPDRKIF-UHFFFAOYSA-N 2 2 388.512 0.632 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(=O)NC3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001691675865 1201252678 /nfs/dbraw/zinc/25/26/78/1201252678.db2.gz FLIZQYBMDVKRNW-SYAUCNOPSA-N 2 2 379.505 0.284 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(=O)NC3CC3)[C@@H]2C)CC[N@H+]1C ZINC001691675865 1201252681 /nfs/dbraw/zinc/25/26/81/1201252681.db2.gz FLIZQYBMDVKRNW-SYAUCNOPSA-N 2 2 379.505 0.284 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(=O)NC3CC3)[C@@H]2C)CC[NH+]1C ZINC001691675865 1201252683 /nfs/dbraw/zinc/25/26/83/1201252683.db2.gz FLIZQYBMDVKRNW-SYAUCNOPSA-N 2 2 379.505 0.284 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(=O)NC3CC3)[C@@H]2C)CC[NH+]1C ZINC001691675865 1201252686 /nfs/dbraw/zinc/25/26/86/1201252686.db2.gz FLIZQYBMDVKRNW-SYAUCNOPSA-N 2 2 379.505 0.284 20 0 GCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951631 1201261113 /nfs/dbraw/zinc/26/11/13/1201261113.db2.gz YPKLDXHODQBSDX-DTZQCDIJSA-N 2 2 382.530 0.374 20 0 GCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951631 1201261114 /nfs/dbraw/zinc/26/11/14/1201261114.db2.gz YPKLDXHODQBSDX-DTZQCDIJSA-N 2 2 382.530 0.374 20 0 GCADLP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079951631 1201261122 /nfs/dbraw/zinc/26/11/22/1201261122.db2.gz YPKLDXHODQBSDX-DTZQCDIJSA-N 2 2 382.530 0.374 20 0 GCADLP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079951631 1201261128 /nfs/dbraw/zinc/26/11/28/1201261128.db2.gz YPKLDXHODQBSDX-DTZQCDIJSA-N 2 2 382.530 0.374 20 0 GCADLP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001080177221 1201266711 /nfs/dbraw/zinc/26/67/11/1201266711.db2.gz AZXAAHMQWCWOLR-MKXGPGLRSA-N 2 2 391.516 0.199 20 0 GCADLP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001080177221 1201266713 /nfs/dbraw/zinc/26/67/13/1201266713.db2.gz AZXAAHMQWCWOLR-MKXGPGLRSA-N 2 2 391.516 0.199 20 0 GCADLP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848042 1201306052 /nfs/dbraw/zinc/30/60/52/1201306052.db2.gz JEJBEHSTNNVFEH-BRSBDYLESA-N 2 2 379.505 0.034 20 0 GCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848042 1201306061 /nfs/dbraw/zinc/30/60/61/1201306061.db2.gz JEJBEHSTNNVFEH-BRSBDYLESA-N 2 2 379.505 0.034 20 0 GCADLP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848042 1201306066 /nfs/dbraw/zinc/30/60/66/1201306066.db2.gz JEJBEHSTNNVFEH-BRSBDYLESA-N 2 2 379.505 0.034 20 0 GCADLP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848042 1201306073 /nfs/dbraw/zinc/30/60/73/1201306073.db2.gz JEJBEHSTNNVFEH-BRSBDYLESA-N 2 2 379.505 0.034 20 0 GCADLP CO[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848261 1201308614 /nfs/dbraw/zinc/30/86/14/1201308614.db2.gz VHFZQDVCYMXRJJ-VBSBHUPXSA-N 2 2 391.512 0.908 20 0 GCADLP CO[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848261 1201308623 /nfs/dbraw/zinc/30/86/23/1201308623.db2.gz VHFZQDVCYMXRJJ-VBSBHUPXSA-N 2 2 391.512 0.908 20 0 GCADLP CO[C@@H]1C[NH+](CCOc2ccc(C)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848261 1201308629 /nfs/dbraw/zinc/30/86/29/1201308629.db2.gz VHFZQDVCYMXRJJ-VBSBHUPXSA-N 2 2 391.512 0.908 20 0 GCADLP CO[C@@H]1C[NH+](CCOc2ccc(C)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848261 1201308638 /nfs/dbraw/zinc/30/86/38/1201308638.db2.gz VHFZQDVCYMXRJJ-VBSBHUPXSA-N 2 2 391.512 0.908 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082148947 1201320538 /nfs/dbraw/zinc/32/05/38/1201320538.db2.gz ZPZGJRUMQREKJQ-YFHUEUNASA-N 2 2 385.468 0.238 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082148947 1201320544 /nfs/dbraw/zinc/32/05/44/1201320544.db2.gz ZPZGJRUMQREKJQ-YFHUEUNASA-N 2 2 385.468 0.238 20 0 GCADLP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149651 1201320698 /nfs/dbraw/zinc/32/06/98/1201320698.db2.gz GWDHSPBHKQUPPQ-YWTNHNAXSA-N 2 2 386.500 0.853 20 0 GCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149651 1201320702 /nfs/dbraw/zinc/32/07/02/1201320702.db2.gz GWDHSPBHKQUPPQ-YWTNHNAXSA-N 2 2 386.500 0.853 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082590076 1201339163 /nfs/dbraw/zinc/33/91/63/1201339163.db2.gz AVEQDNACPKKJOM-KLHDSHLOSA-N 2 2 376.505 0.270 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082590076 1201339171 /nfs/dbraw/zinc/33/91/71/1201339171.db2.gz AVEQDNACPKKJOM-KLHDSHLOSA-N 2 2 376.505 0.270 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(C2CCC2)no1 ZINC001082590262 1201339981 /nfs/dbraw/zinc/33/99/81/1201339981.db2.gz MAOTWJWJFHWZFS-RRCSTGOVSA-N 2 2 377.489 0.993 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(C2CCC2)no1 ZINC001082590262 1201339988 /nfs/dbraw/zinc/33/99/88/1201339988.db2.gz MAOTWJWJFHWZFS-RRCSTGOVSA-N 2 2 377.489 0.993 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(CC2CC2)no1 ZINC001082590452 1201340268 /nfs/dbraw/zinc/34/02/68/1201340268.db2.gz XBMCNBUPHIMBRH-RRCSTGOVSA-N 2 2 377.489 0.678 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(CC2CC2)no1 ZINC001082590452 1201340278 /nfs/dbraw/zinc/34/02/78/1201340278.db2.gz XBMCNBUPHIMBRH-RRCSTGOVSA-N 2 2 377.489 0.678 20 0 GCADLP C[C@H](CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663803 1201367075 /nfs/dbraw/zinc/36/70/75/1201367075.db2.gz XKSIHNDSUQGBLO-KZNAEPCWSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1)[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663803 1201367081 /nfs/dbraw/zinc/36/70/81/1201367081.db2.gz XKSIHNDSUQGBLO-KZNAEPCWSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[NH+]1CCC[C@@H](N2CCNC2=O)C1)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663803 1201367088 /nfs/dbraw/zinc/36/70/88/1201367088.db2.gz XKSIHNDSUQGBLO-KZNAEPCWSA-N 2 2 392.548 0.744 20 0 GCADLP C[C@H](CC[NH+]1CCC[C@@H](N2CCNC2=O)C1)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663803 1201367097 /nfs/dbraw/zinc/36/70/97/1201367097.db2.gz XKSIHNDSUQGBLO-KZNAEPCWSA-N 2 2 392.548 0.744 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000536071194 1201371297 /nfs/dbraw/zinc/37/12/97/1201371297.db2.gz PQEPGJZVBLIDMX-QGZVFWFLSA-N 2 2 376.420 0.931 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000536071194 1201371299 /nfs/dbraw/zinc/37/12/99/1201371299.db2.gz PQEPGJZVBLIDMX-QGZVFWFLSA-N 2 2 376.420 0.931 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4cc(Cl)cn4)C[C@@H]32)CC[N@@H+]1C ZINC001083085867 1201383544 /nfs/dbraw/zinc/38/35/44/1201383544.db2.gz QNIURQVFEDJHBZ-MXASKKJJSA-N 2 2 381.908 0.788 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4cc(Cl)cn4)C[C@@H]32)CC[N@H+]1C ZINC001083085867 1201383548 /nfs/dbraw/zinc/38/35/48/1201383548.db2.gz QNIURQVFEDJHBZ-MXASKKJJSA-N 2 2 381.908 0.788 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCn4cc(Cl)cn4)C[C@@H]32)CC[NH+]1C ZINC001083085867 1201383551 /nfs/dbraw/zinc/38/35/51/1201383551.db2.gz QNIURQVFEDJHBZ-MXASKKJJSA-N 2 2 381.908 0.788 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCn4cc(Cl)cn4)C[C@@H]32)CC[NH+]1C ZINC001083085867 1201383556 /nfs/dbraw/zinc/38/35/56/1201383556.db2.gz QNIURQVFEDJHBZ-MXASKKJJSA-N 2 2 381.908 0.788 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N4CCCCCC4)C[C@@H]32)CC[N@@H+]1C ZINC001083086455 1201384462 /nfs/dbraw/zinc/38/44/62/1201384462.db2.gz NNQGZNLLXKAKJE-AKHDSKFASA-N 2 2 392.544 0.641 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N4CCCCCC4)C[C@@H]32)CC[N@H+]1C ZINC001083086455 1201384468 /nfs/dbraw/zinc/38/44/68/1201384468.db2.gz NNQGZNLLXKAKJE-AKHDSKFASA-N 2 2 392.544 0.641 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N4CCCCCC4)C[C@@H]32)CC[NH+]1C ZINC001083086455 1201384472 /nfs/dbraw/zinc/38/44/72/1201384472.db2.gz NNQGZNLLXKAKJE-AKHDSKFASA-N 2 2 392.544 0.641 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N4CCCCCC4)C[C@@H]32)CC[NH+]1C ZINC001083086455 1201384479 /nfs/dbraw/zinc/38/44/79/1201384479.db2.gz NNQGZNLLXKAKJE-AKHDSKFASA-N 2 2 392.544 0.641 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N4CCCC4)C[C@@H]32)CC[N@@H+]1C ZINC001083087561 1201385833 /nfs/dbraw/zinc/38/58/33/1201385833.db2.gz QXJSFVQFTMAKIV-XWTMOSNGSA-N 2 2 378.517 0.251 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N4CCCC4)C[C@@H]32)CC[N@H+]1C ZINC001083087561 1201385838 /nfs/dbraw/zinc/38/58/38/1201385838.db2.gz QXJSFVQFTMAKIV-XWTMOSNGSA-N 2 2 378.517 0.251 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@H]32)CC[NH+]1C ZINC001083087561 1201385842 /nfs/dbraw/zinc/38/58/42/1201385842.db2.gz QXJSFVQFTMAKIV-XWTMOSNGSA-N 2 2 378.517 0.251 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@H]32)CC[NH+]1C ZINC001083087561 1201385848 /nfs/dbraw/zinc/38/58/48/1201385848.db2.gz QXJSFVQFTMAKIV-XWTMOSNGSA-N 2 2 378.517 0.251 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513468 1201403697 /nfs/dbraw/zinc/40/36/97/1201403697.db2.gz ZPXIMOHDWURISN-JAKSCESISA-N 2 2 380.577 0.699 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513468 1201403702 /nfs/dbraw/zinc/40/37/02/1201403702.db2.gz ZPXIMOHDWURISN-JAKSCESISA-N 2 2 380.577 0.699 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)O1 ZINC001084447598 1201412159 /nfs/dbraw/zinc/41/21/59/1201412159.db2.gz VCYQUVOZMRCYKK-UTRMSSBJSA-N 2 2 386.496 0.537 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)O1 ZINC001084447598 1201412165 /nfs/dbraw/zinc/41/21/65/1201412165.db2.gz VCYQUVOZMRCYKK-UTRMSSBJSA-N 2 2 386.496 0.537 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)O1 ZINC001084447598 1201412173 /nfs/dbraw/zinc/41/21/73/1201412173.db2.gz VCYQUVOZMRCYKK-UTRMSSBJSA-N 2 2 386.496 0.537 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)O1 ZINC001084447598 1201412180 /nfs/dbraw/zinc/41/21/80/1201412180.db2.gz VCYQUVOZMRCYKK-UTRMSSBJSA-N 2 2 386.496 0.537 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCCC4)C[C@H]32)O1 ZINC001084447412 1201412351 /nfs/dbraw/zinc/41/23/51/1201412351.db2.gz MKKZNKNEGWKMGF-NCXUSEDFSA-N 2 2 392.544 0.641 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCCC4)C[C@H]32)O1 ZINC001084447412 1201412356 /nfs/dbraw/zinc/41/23/56/1201412356.db2.gz MKKZNKNEGWKMGF-NCXUSEDFSA-N 2 2 392.544 0.641 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCCCC4)C[C@H]32)O1 ZINC001084447412 1201412358 /nfs/dbraw/zinc/41/23/58/1201412358.db2.gz MKKZNKNEGWKMGF-NCXUSEDFSA-N 2 2 392.544 0.641 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCCCC4)C[C@H]32)O1 ZINC001084447412 1201412362 /nfs/dbraw/zinc/41/23/62/1201412362.db2.gz MKKZNKNEGWKMGF-NCXUSEDFSA-N 2 2 392.544 0.641 20 0 GCADLP CN(C(=O)CCCn1cccn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980206 1201422714 /nfs/dbraw/zinc/42/27/14/1201422714.db2.gz MXNLXMYXOYWKMJ-UHFFFAOYSA-N 2 2 390.532 0.360 20 0 GCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731759918 1201501778 /nfs/dbraw/zinc/50/17/78/1201501778.db2.gz SWEQCECICCGOEN-CQSZACIVSA-N 2 2 385.534 0.636 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)Nc4cnccn4)[C@H]3C2)CC[N@@H+]1C ZINC001084943986 1201502302 /nfs/dbraw/zinc/50/23/02/1201502302.db2.gz LOUZYWVNIBAGRU-VQHPVUNQSA-N 2 2 386.500 0.678 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)Nc4cnccn4)[C@H]3C2)CC[N@H+]1C ZINC001084943986 1201502312 /nfs/dbraw/zinc/50/23/12/1201502312.db2.gz LOUZYWVNIBAGRU-VQHPVUNQSA-N 2 2 386.500 0.678 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)Nc4cnccn4)[C@H]3C2)CC[NH+]1C ZINC001084943986 1201502318 /nfs/dbraw/zinc/50/23/18/1201502318.db2.gz LOUZYWVNIBAGRU-VQHPVUNQSA-N 2 2 386.500 0.678 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)Nc4cnccn4)[C@H]3C2)CC[NH+]1C ZINC001084943986 1201502323 /nfs/dbraw/zinc/50/23/23/1201502323.db2.gz LOUZYWVNIBAGRU-VQHPVUNQSA-N 2 2 386.500 0.678 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)O1 ZINC001084970024 1201513775 /nfs/dbraw/zinc/51/37/75/1201513775.db2.gz KELMWHWFQUMRDE-ZJPYXAASSA-N 2 2 378.517 0.251 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)O1 ZINC001084970024 1201513782 /nfs/dbraw/zinc/51/37/82/1201513782.db2.gz KELMWHWFQUMRDE-ZJPYXAASSA-N 2 2 378.517 0.251 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCC4)[C@H]3C2)O1 ZINC001084970024 1201513785 /nfs/dbraw/zinc/51/37/85/1201513785.db2.gz KELMWHWFQUMRDE-ZJPYXAASSA-N 2 2 378.517 0.251 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)O1 ZINC001084970024 1201513791 /nfs/dbraw/zinc/51/37/91/1201513791.db2.gz KELMWHWFQUMRDE-ZJPYXAASSA-N 2 2 378.517 0.251 20 0 GCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084969970 1201513836 /nfs/dbraw/zinc/51/38/36/1201513836.db2.gz HHUAGYVQGPLWCI-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP COc1nccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084969970 1201513838 /nfs/dbraw/zinc/51/38/38/1201513838.db2.gz HHUAGYVQGPLWCI-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP COc1nccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084969970 1201513844 /nfs/dbraw/zinc/51/38/44/1201513844.db2.gz HHUAGYVQGPLWCI-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP COc1nccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084969970 1201513850 /nfs/dbraw/zinc/51/38/50/1201513850.db2.gz HHUAGYVQGPLWCI-XYVMCAHJSA-N 2 2 389.500 0.627 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(NS(C)(=O)=O)c3)C2)CC1 ZINC000732779532 1201559191 /nfs/dbraw/zinc/55/91/91/1201559191.db2.gz VIIARHWVLOUIKF-MRXNPFEDSA-N 2 2 380.514 0.956 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(NS(C)(=O)=O)c3)C2)CC1 ZINC000732779532 1201559198 /nfs/dbraw/zinc/55/91/98/1201559198.db2.gz VIIARHWVLOUIKF-MRXNPFEDSA-N 2 2 380.514 0.956 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)C2)CC1 ZINC000732780564 1201560920 /nfs/dbraw/zinc/56/09/20/1201560920.db2.gz KYMQUMOVTMSRHL-CYBMUJFWSA-N 2 2 384.477 0.371 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)C2)CC1 ZINC000732780564 1201560922 /nfs/dbraw/zinc/56/09/22/1201560922.db2.gz KYMQUMOVTMSRHL-CYBMUJFWSA-N 2 2 384.477 0.371 20 0 GCADLP C[NH+](C)CCNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732911557 1201569518 /nfs/dbraw/zinc/56/95/18/1201569518.db2.gz AORFKRUBKANBLY-HNNXBMFYSA-N 2 2 393.561 0.308 20 0 GCADLP C[NH+](C)CCNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732911557 1201569521 /nfs/dbraw/zinc/56/95/21/1201569521.db2.gz AORFKRUBKANBLY-HNNXBMFYSA-N 2 2 393.561 0.308 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000733164187 1201578866 /nfs/dbraw/zinc/57/88/66/1201578866.db2.gz LZNNPENZDOJLNO-UHFFFAOYSA-N 2 2 386.493 0.571 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000733164187 1201578871 /nfs/dbraw/zinc/57/88/71/1201578871.db2.gz LZNNPENZDOJLNO-UHFFFAOYSA-N 2 2 386.493 0.571 20 0 GCADLP C[NH+](C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001065714901 1201631091 /nfs/dbraw/zinc/63/10/91/1201631091.db2.gz BUUKFHSCFMWJIQ-MLHJIOFPSA-N 2 2 378.517 0.251 20 0 GCADLP C[NH+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC001065712699 1201631154 /nfs/dbraw/zinc/63/11/54/1201631154.db2.gz CFEMUBNNSLVZRH-MLHJIOFPSA-N 2 2 378.517 0.251 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(-n4cncn4)nc3)C2)CC1 ZINC000734264943 1201648088 /nfs/dbraw/zinc/64/80/88/1201648088.db2.gz IDEXVZNHXZFGQH-INIZCTEOSA-N 2 2 384.488 0.630 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(-n4cncn4)nc3)C2)CC1 ZINC000734264943 1201648090 /nfs/dbraw/zinc/64/80/90/1201648090.db2.gz IDEXVZNHXZFGQH-INIZCTEOSA-N 2 2 384.488 0.630 20 0 GCADLP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000734487882 1201653336 /nfs/dbraw/zinc/65/33/36/1201653336.db2.gz YMGPCKMFMCINPW-LGMDPLHJSA-N 2 2 385.530 0.745 20 0 GCADLP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000734487882 1201653337 /nfs/dbraw/zinc/65/33/37/1201653337.db2.gz YMGPCKMFMCINPW-LGMDPLHJSA-N 2 2 385.530 0.745 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000743204610 1201813887 /nfs/dbraw/zinc/81/38/87/1201813887.db2.gz TZDRJFHHXAILCD-UHFFFAOYSA-N 2 2 386.522 0.075 20 0 GCADLP Cc1[nH+]ccn1CCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000743602703 1201821020 /nfs/dbraw/zinc/82/10/20/1201821020.db2.gz NHAPXJXLAXRNLF-UHFFFAOYSA-N 2 2 385.534 0.780 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000746354956 1201912881 /nfs/dbraw/zinc/91/28/81/1201912881.db2.gz OWXCUAOHRCTKLW-AWEZNQCLSA-N 2 2 375.477 0.811 20 0 GCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000749298357 1201919613 /nfs/dbraw/zinc/91/96/13/1201919613.db2.gz PKMVWQRWXXCQMW-IBGZPJMESA-N 2 2 390.528 0.499 20 0 GCADLP O=C(CN1CC[NH+](CCCCO)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000746483573 1201927563 /nfs/dbraw/zinc/92/75/63/1201927563.db2.gz GFAZFQFZTJIXMA-UHFFFAOYSA-N 2 2 390.528 0.847 20 0 GCADLP CN(C)S(=O)(=O)n1cnc(-c2ccccc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169075686 1201931966 /nfs/dbraw/zinc/93/19/66/1201931966.db2.gz VHEXEEFGOLHDLW-CYBMUJFWSA-N 2 2 390.469 0.252 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169134622 1201933174 /nfs/dbraw/zinc/93/31/74/1201933174.db2.gz VVEUSWXVFJXARF-BJWYYQGGSA-N 2 2 386.544 0.791 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169134622 1201933177 /nfs/dbraw/zinc/93/31/77/1201933177.db2.gz VVEUSWXVFJXARF-BJWYYQGGSA-N 2 2 386.544 0.791 20 0 GCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC[NH+]1CCCC1 ZINC001169160796 1201933712 /nfs/dbraw/zinc/93/37/12/1201933712.db2.gz LJPCEFMVXAODIG-OAHLLOKOSA-N 2 2 376.505 0.678 20 0 GCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001169167543 1201934418 /nfs/dbraw/zinc/93/44/18/1201934418.db2.gz JBDOYMXIMCLIJM-CABCVRRESA-N 2 2 376.505 0.676 20 0 GCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001169167543 1201934420 /nfs/dbraw/zinc/93/44/20/1201934420.db2.gz JBDOYMXIMCLIJM-CABCVRRESA-N 2 2 376.505 0.676 20 0 GCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001169167545 1201934617 /nfs/dbraw/zinc/93/46/17/1201934617.db2.gz JBDOYMXIMCLIJM-HUUCEWRRSA-N 2 2 376.505 0.676 20 0 GCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001169167545 1201934618 /nfs/dbraw/zinc/93/46/18/1201934618.db2.gz JBDOYMXIMCLIJM-HUUCEWRRSA-N 2 2 376.505 0.676 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CC1 ZINC001169253277 1201941073 /nfs/dbraw/zinc/94/10/73/1201941073.db2.gz AUOVVCYWXFPFNK-HXUWFJFHSA-N 2 2 388.516 0.544 20 0 GCADLP CC[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CC1 ZINC001169253277 1201941076 /nfs/dbraw/zinc/94/10/76/1201941076.db2.gz AUOVVCYWXFPFNK-HXUWFJFHSA-N 2 2 388.516 0.544 20 0 GCADLP CC[NH+]1CCC(N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CC1 ZINC001169254283 1201941080 /nfs/dbraw/zinc/94/10/80/1201941080.db2.gz BOVUATBQEYHQEQ-UHFFFAOYSA-N 2 2 385.516 0.889 20 0 GCADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CO1 ZINC001169391563 1201945691 /nfs/dbraw/zinc/94/56/91/1201945691.db2.gz ZNWGCXKGIBARKT-XJKSGUPXSA-N 2 2 394.472 0.435 20 0 GCADLP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CO1 ZINC001169391563 1201945693 /nfs/dbraw/zinc/94/56/93/1201945693.db2.gz ZNWGCXKGIBARKT-XJKSGUPXSA-N 2 2 394.472 0.435 20 0 GCADLP CCN(CC)C(=O)C[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001169457298 1201949398 /nfs/dbraw/zinc/94/93/98/1201949398.db2.gz CPCBRMKEMLEXNO-KBMXLJTQSA-N 2 2 392.504 0.049 20 0 GCADLP CCOC(=O)C1(Nc2cc(C(=O)N3CC[NH+](C)CC3)ccn2)CC[NH+](C)CC1 ZINC001169492037 1201950124 /nfs/dbraw/zinc/95/01/24/1201950124.db2.gz VFVAWQTZCWQUJD-UHFFFAOYSA-N 2 2 389.500 0.909 20 0 GCADLP CCOC1CC(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)([NH+]2CCOCC2)C1 ZINC000767802681 1201988755 /nfs/dbraw/zinc/98/87/55/1201988755.db2.gz XJFJFUIDHFSQSB-FFEBTUMSSA-N 2 2 396.532 0.419 20 0 GCADLP CCOC1CC(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)([NH+]2CCOCC2)C1 ZINC000767802681 1201988756 /nfs/dbraw/zinc/98/87/56/1201988756.db2.gz XJFJFUIDHFSQSB-FFEBTUMSSA-N 2 2 396.532 0.419 20 0 GCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294554 1202015191 /nfs/dbraw/zinc/01/51/91/1202015191.db2.gz RMEMOJWNUUBGAZ-OWSLCNJRSA-N 2 2 378.517 0.202 20 0 GCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294554 1202015194 /nfs/dbraw/zinc/01/51/94/1202015194.db2.gz RMEMOJWNUUBGAZ-OWSLCNJRSA-N 2 2 378.517 0.202 20 0 GCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109303409 1202018105 /nfs/dbraw/zinc/01/81/05/1202018105.db2.gz UKSQLKLPSPMFPW-PVAVHDDUSA-N 2 2 376.505 0.258 20 0 GCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109303409 1202018107 /nfs/dbraw/zinc/01/81/07/1202018107.db2.gz UKSQLKLPSPMFPW-PVAVHDDUSA-N 2 2 376.505 0.258 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2cccnc2)CC[N@@H+]1C ZINC001109305775 1202018456 /nfs/dbraw/zinc/01/84/56/1202018456.db2.gz PENWZMQTAXLIHF-DBDQLMEASA-N 2 2 385.512 0.760 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2cccnc2)CC[N@H+]1C ZINC001109305775 1202018458 /nfs/dbraw/zinc/01/84/58/1202018458.db2.gz PENWZMQTAXLIHF-DBDQLMEASA-N 2 2 385.512 0.760 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2cccnc2)CC[NH+]1C ZINC001109305775 1202018460 /nfs/dbraw/zinc/01/84/60/1202018460.db2.gz PENWZMQTAXLIHF-DBDQLMEASA-N 2 2 385.512 0.760 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2cccnc2)CC[NH+]1C ZINC001109305775 1202018463 /nfs/dbraw/zinc/01/84/63/1202018463.db2.gz PENWZMQTAXLIHF-DBDQLMEASA-N 2 2 385.512 0.760 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001109305144 1202018921 /nfs/dbraw/zinc/01/89/21/1202018921.db2.gz FLROLTVGJMXBSP-HMDCTGQHSA-N 2 2 391.516 0.426 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001109305144 1202018923 /nfs/dbraw/zinc/01/89/23/1202018923.db2.gz FLROLTVGJMXBSP-HMDCTGQHSA-N 2 2 391.516 0.426 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001109305144 1202018924 /nfs/dbraw/zinc/01/89/24/1202018924.db2.gz FLROLTVGJMXBSP-HMDCTGQHSA-N 2 2 391.516 0.426 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001109305144 1202018927 /nfs/dbraw/zinc/01/89/27/1202018927.db2.gz FLROLTVGJMXBSP-HMDCTGQHSA-N 2 2 391.516 0.426 20 0 GCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396551 1202036676 /nfs/dbraw/zinc/03/66/76/1202036676.db2.gz GHFQJDVAVQYMOA-WCVJEAGWSA-N 2 2 379.505 0.141 20 0 GCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396551 1202036678 /nfs/dbraw/zinc/03/66/78/1202036678.db2.gz GHFQJDVAVQYMOA-WCVJEAGWSA-N 2 2 379.505 0.141 20 0 GCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109396551 1202036681 /nfs/dbraw/zinc/03/66/81/1202036681.db2.gz GHFQJDVAVQYMOA-WCVJEAGWSA-N 2 2 379.505 0.141 20 0 GCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109396551 1202036683 /nfs/dbraw/zinc/03/66/83/1202036683.db2.gz GHFQJDVAVQYMOA-WCVJEAGWSA-N 2 2 379.505 0.141 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCOC2)CCC1 ZINC001109400677 1202038358 /nfs/dbraw/zinc/03/83/58/1202038358.db2.gz QESUWMYDEHPSEU-YVSFHVDLSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCOC2)CCC1 ZINC001109400677 1202038361 /nfs/dbraw/zinc/03/83/61/1202038361.db2.gz QESUWMYDEHPSEU-YVSFHVDLSA-N 2 2 378.517 0.345 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109401720 1202038570 /nfs/dbraw/zinc/03/85/70/1202038570.db2.gz CZTOFEXMFQZVKK-AESZEHBQSA-N 2 2 379.505 0.284 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109401720 1202038572 /nfs/dbraw/zinc/03/85/72/1202038572.db2.gz CZTOFEXMFQZVKK-AESZEHBQSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402437 1202039145 /nfs/dbraw/zinc/03/91/45/1202039145.db2.gz QNRAASWGGVOLER-XGUBFFRZSA-N 2 2 379.505 0.426 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402437 1202039147 /nfs/dbraw/zinc/03/91/47/1202039147.db2.gz QNRAASWGGVOLER-XGUBFFRZSA-N 2 2 379.505 0.426 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CCO1 ZINC000769086740 1202045636 /nfs/dbraw/zinc/04/56/36/1202045636.db2.gz PWCSLVYMJFRLFX-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CCO1 ZINC000769086740 1202045638 /nfs/dbraw/zinc/04/56/38/1202045638.db2.gz PWCSLVYMJFRLFX-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CCO1 ZINC000769086740 1202045640 /nfs/dbraw/zinc/04/56/40/1202045640.db2.gz PWCSLVYMJFRLFX-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CCO1 ZINC000769086740 1202045642 /nfs/dbraw/zinc/04/56/42/1202045642.db2.gz PWCSLVYMJFRLFX-MISYRCLQSA-N 2 2 390.528 0.889 20 0 GCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001109449308 1202051899 /nfs/dbraw/zinc/05/18/99/1202051899.db2.gz NWAPWABTGSVDQQ-IKGGRYGDSA-N 2 2 378.517 0.345 20 0 GCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001109449308 1202051902 /nfs/dbraw/zinc/05/19/02/1202051902.db2.gz NWAPWABTGSVDQQ-IKGGRYGDSA-N 2 2 378.517 0.345 20 0 GCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001109464374 1202057112 /nfs/dbraw/zinc/05/71/12/1202057112.db2.gz XVCHYQQWCXXNKQ-YVSFHVDLSA-N 2 2 380.533 0.686 20 0 GCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001109464374 1202057114 /nfs/dbraw/zinc/05/71/14/1202057114.db2.gz XVCHYQQWCXXNKQ-YVSFHVDLSA-N 2 2 380.533 0.686 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001109464374 1202057118 /nfs/dbraw/zinc/05/71/18/1202057118.db2.gz XVCHYQQWCXXNKQ-YVSFHVDLSA-N 2 2 380.533 0.686 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001109464374 1202057120 /nfs/dbraw/zinc/05/71/20/1202057120.db2.gz XVCHYQQWCXXNKQ-YVSFHVDLSA-N 2 2 380.533 0.686 20 0 GCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001109466213 1202057176 /nfs/dbraw/zinc/05/71/76/1202057176.db2.gz PJURKPOUHWLOBC-IKGGRYGDSA-N 2 2 380.533 0.733 20 0 GCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001109466213 1202057177 /nfs/dbraw/zinc/05/71/77/1202057177.db2.gz PJURKPOUHWLOBC-IKGGRYGDSA-N 2 2 380.533 0.733 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001109466213 1202057181 /nfs/dbraw/zinc/05/71/81/1202057181.db2.gz PJURKPOUHWLOBC-IKGGRYGDSA-N 2 2 380.533 0.733 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001109466213 1202057182 /nfs/dbraw/zinc/05/71/82/1202057182.db2.gz PJURKPOUHWLOBC-IKGGRYGDSA-N 2 2 380.533 0.733 20 0 GCADLP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000769495777 1202059599 /nfs/dbraw/zinc/05/95/99/1202059599.db2.gz UIZXYSOSQQKSTR-JKSUJKDBSA-N 2 2 384.521 0.765 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001109525430 1202071829 /nfs/dbraw/zinc/07/18/29/1202071829.db2.gz CIDDVORJPWYXCD-NCOADZHNSA-N 2 2 375.473 0.208 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001109525430 1202071833 /nfs/dbraw/zinc/07/18/33/1202071833.db2.gz CIDDVORJPWYXCD-NCOADZHNSA-N 2 2 375.473 0.208 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590034 1202087114 /nfs/dbraw/zinc/08/71/14/1202087114.db2.gz PDOCLWLEKJEYTF-XGUBFFRZSA-N 2 2 379.505 0.426 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590034 1202087116 /nfs/dbraw/zinc/08/71/16/1202087116.db2.gz PDOCLWLEKJEYTF-XGUBFFRZSA-N 2 2 379.505 0.426 20 0 GCADLP C[C@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000770303004 1202093216 /nfs/dbraw/zinc/09/32/16/1202093216.db2.gz MJHKUHGEASHBMF-MAUKXSAKSA-N 2 2 389.500 0.212 20 0 GCADLP C[C@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000770303004 1202093220 /nfs/dbraw/zinc/09/32/20/1202093220.db2.gz MJHKUHGEASHBMF-MAUKXSAKSA-N 2 2 389.500 0.212 20 0 GCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109645982 1202097474 /nfs/dbraw/zinc/09/74/74/1202097474.db2.gz BVMAEELADXSMMC-ZZVYKPCYSA-N 2 2 377.445 0.260 20 0 GCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109645982 1202097475 /nfs/dbraw/zinc/09/74/75/1202097475.db2.gz BVMAEELADXSMMC-ZZVYKPCYSA-N 2 2 377.445 0.260 20 0 GCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC)[NH+](CC)CC ZINC001109714188 1202109911 /nfs/dbraw/zinc/10/99/11/1202109911.db2.gz ARADVAREAHKCFH-OWSLCNJRSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC)[NH+](CC)CC ZINC001109714188 1202109913 /nfs/dbraw/zinc/10/99/13/1202109913.db2.gz ARADVAREAHKCFH-OWSLCNJRSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001109733041 1202114796 /nfs/dbraw/zinc/11/47/96/1202114796.db2.gz DTPFBPQXOAARDC-QPSCCSFWSA-N 2 2 381.521 0.672 20 0 GCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001109733041 1202114801 /nfs/dbraw/zinc/11/48/01/1202114801.db2.gz DTPFBPQXOAARDC-QPSCCSFWSA-N 2 2 381.521 0.672 20 0 GCADLP CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170023118 1202129386 /nfs/dbraw/zinc/12/93/86/1202129386.db2.gz USFKBJNDOWCELH-SYQHCUMBSA-N 2 2 386.518 0.213 20 0 GCADLP NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109961194 1202160448 /nfs/dbraw/zinc/16/04/48/1202160448.db2.gz RIBRIZQJCTWHPO-PMPSAXMXSA-N 2 2 377.489 0.025 20 0 GCADLP NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109961194 1202160450 /nfs/dbraw/zinc/16/04/50/1202160450.db2.gz RIBRIZQJCTWHPO-PMPSAXMXSA-N 2 2 377.489 0.025 20 0 GCADLP CN(CC[NH+](C)C)C(=O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790298139 1205462003 /nfs/dbraw/zinc/46/20/03/1205462003.db2.gz XAVDWHMUCHDICA-UHFFFAOYSA-N 2 2 399.536 0.065 20 0 GCADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791623356 1205478867 /nfs/dbraw/zinc/47/88/67/1205478867.db2.gz JKAUNHSHLUJJIX-QAPCUYQASA-N 2 2 378.521 0.254 20 0 GCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC(C(N)=O)CC3)nc[nH+]2)O1 ZINC001170274088 1205490213 /nfs/dbraw/zinc/49/02/13/1205490213.db2.gz VVMRHNBIZODMAQ-HBUWYVDXSA-N 2 2 378.477 0.315 20 0 GCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC(C(N)=O)CC3)[nH+]cn2)O1 ZINC001170274088 1205490215 /nfs/dbraw/zinc/49/02/15/1205490215.db2.gz VVMRHNBIZODMAQ-HBUWYVDXSA-N 2 2 378.477 0.315 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793702991 1205504547 /nfs/dbraw/zinc/50/45/47/1205504547.db2.gz VNMDGLWGVQTAKB-DLBZAZTESA-N 3 2 379.549 0.262 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793702991 1205504549 /nfs/dbraw/zinc/50/45/49/1205504549.db2.gz VNMDGLWGVQTAKB-DLBZAZTESA-N 3 2 379.549 0.262 20 0 GCADLP CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101724 1205511625 /nfs/dbraw/zinc/51/16/25/1205511625.db2.gz BWFTZLGCFMFJQL-MHORFTMASA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101724 1205511627 /nfs/dbraw/zinc/51/16/27/1205511627.db2.gz BWFTZLGCFMFJQL-MHORFTMASA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)OCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101724 1205511629 /nfs/dbraw/zinc/51/16/29/1205511629.db2.gz BWFTZLGCFMFJQL-MHORFTMASA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)OCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101724 1205511630 /nfs/dbraw/zinc/51/16/30/1205511630.db2.gz BWFTZLGCFMFJQL-MHORFTMASA-N 2 2 380.533 0.591 20 0 GCADLP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129898156 1205524365 /nfs/dbraw/zinc/52/43/65/1205524365.db2.gz OPCWBPJZOMPCPA-AHCXZYCDSA-N 2 2 387.488 0.963 20 0 GCADLP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129898156 1205524367 /nfs/dbraw/zinc/52/43/67/1205524367.db2.gz OPCWBPJZOMPCPA-AHCXZYCDSA-N 2 2 387.488 0.963 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129898558 1205524483 /nfs/dbraw/zinc/52/44/83/1205524483.db2.gz WWKZCLFOOOWHRK-AHCXZYCDSA-N 2 2 385.472 0.716 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129898558 1205524484 /nfs/dbraw/zinc/52/44/84/1205524484.db2.gz WWKZCLFOOOWHRK-AHCXZYCDSA-N 2 2 385.472 0.716 20 0 GCADLP COc1cccc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001137530703 1205543861 /nfs/dbraw/zinc/54/38/61/1205543861.db2.gz CLKRWULGEUAPNU-UHFFFAOYSA-N 2 2 375.517 0.760 20 0 GCADLP COc1cccc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001137530703 1205543862 /nfs/dbraw/zinc/54/38/62/1205543862.db2.gz CLKRWULGEUAPNU-UHFFFAOYSA-N 2 2 375.517 0.760 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)C2)CC1 ZINC000806211232 1205551684 /nfs/dbraw/zinc/55/16/84/1205551684.db2.gz UTMHWJLASQKUCZ-RDJZCZTQSA-N 2 2 394.516 0.073 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)C2)CC1 ZINC000806211232 1205551685 /nfs/dbraw/zinc/55/16/85/1205551685.db2.gz UTMHWJLASQKUCZ-RDJZCZTQSA-N 2 2 394.516 0.073 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3C3OCCO3)C2)CC1 ZINC000806209805 1205551718 /nfs/dbraw/zinc/55/17/18/1205551718.db2.gz BGQNBJOTZDNSRN-NVXWUHKLSA-N 2 2 394.516 0.025 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3C3OCCO3)C2)CC1 ZINC000806209805 1205551719 /nfs/dbraw/zinc/55/17/19/1205551719.db2.gz BGQNBJOTZDNSRN-NVXWUHKLSA-N 2 2 394.516 0.025 20 0 GCADLP CN(Cc1ncc(Cl)n1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806211328 1205551723 /nfs/dbraw/zinc/55/17/23/1205551723.db2.gz XARZGTUKHVIPAP-CYBMUJFWSA-N 2 2 396.923 0.317 20 0 GCADLP CN(Cc1ncc(Cl)n1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806211328 1205551724 /nfs/dbraw/zinc/55/17/24/1205551724.db2.gz XARZGTUKHVIPAP-CYBMUJFWSA-N 2 2 396.923 0.317 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CCO1 ZINC000806665586 1205563583 /nfs/dbraw/zinc/56/35/83/1205563583.db2.gz AFBHXNGGWRPFOW-XYTVBORESA-N 2 2 381.521 0.090 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CCO1 ZINC000806665586 1205563584 /nfs/dbraw/zinc/56/35/84/1205563584.db2.gz AFBHXNGGWRPFOW-XYTVBORESA-N 2 2 381.521 0.090 20 0 GCADLP C[C@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCO1 ZINC000806665586 1205563585 /nfs/dbraw/zinc/56/35/85/1205563585.db2.gz AFBHXNGGWRPFOW-XYTVBORESA-N 2 2 381.521 0.090 20 0 GCADLP C[C@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCO1 ZINC000806665586 1205563586 /nfs/dbraw/zinc/56/35/86/1205563586.db2.gz AFBHXNGGWRPFOW-XYTVBORESA-N 2 2 381.521 0.090 20 0 GCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC2)cc1 ZINC000807639694 1205587156 /nfs/dbraw/zinc/58/71/56/1205587156.db2.gz YCVFUZDBFOYPQU-UHFFFAOYSA-N 2 2 375.517 0.858 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000807927007 1205594515 /nfs/dbraw/zinc/59/45/15/1205594515.db2.gz OUESJWANZMHSIG-SJORKVTESA-N 2 2 391.516 0.743 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000807927007 1205594517 /nfs/dbraw/zinc/59/45/17/1205594517.db2.gz OUESJWANZMHSIG-SJORKVTESA-N 2 2 391.516 0.743 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)C1 ZINC000747469727 1205603881 /nfs/dbraw/zinc/60/38/81/1205603881.db2.gz JPSZZAFUUKWWAV-MSOLQXFVSA-N 2 2 391.516 0.728 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)C1 ZINC000747469727 1205603882 /nfs/dbraw/zinc/60/38/82/1205603882.db2.gz JPSZZAFUUKWWAV-MSOLQXFVSA-N 2 2 391.516 0.728 20 0 GCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)cc2)CC1 ZINC000808751908 1205611340 /nfs/dbraw/zinc/61/13/40/1205611340.db2.gz ORURXABAQBZVHU-QFBILLFUSA-N 2 2 376.501 0.442 20 0 GCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](CO)[C@H](O)C3)cc2)CC1 ZINC000808751908 1205611341 /nfs/dbraw/zinc/61/13/41/1205611341.db2.gz ORURXABAQBZVHU-QFBILLFUSA-N 2 2 376.501 0.442 20 0 GCADLP CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000809633982 1205627962 /nfs/dbraw/zinc/62/79/62/1205627962.db2.gz YQZGKPKZFHLUGM-GPANFISMSA-N 2 2 382.505 0.565 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000810269303 1205635112 /nfs/dbraw/zinc/63/51/12/1205635112.db2.gz DWADIPKAICCFTI-GVDBMIGSSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000810269303 1205635113 /nfs/dbraw/zinc/63/51/13/1205635113.db2.gz DWADIPKAICCFTI-GVDBMIGSSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000810269303 1205635114 /nfs/dbraw/zinc/63/51/14/1205635114.db2.gz DWADIPKAICCFTI-GVDBMIGSSA-N 2 2 377.489 0.463 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000810269303 1205635115 /nfs/dbraw/zinc/63/51/15/1205635115.db2.gz DWADIPKAICCFTI-GVDBMIGSSA-N 2 2 377.489 0.463 20 0 GCADLP COCCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001086699835 1205659693 /nfs/dbraw/zinc/65/96/93/1205659693.db2.gz JDUCJWRFOMQDDN-QKPAOTATSA-N 2 2 379.505 0.973 20 0 GCADLP COCCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001086699835 1205659695 /nfs/dbraw/zinc/65/96/95/1205659695.db2.gz JDUCJWRFOMQDDN-QKPAOTATSA-N 2 2 379.505 0.973 20 0 GCADLP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103374 1205676398 /nfs/dbraw/zinc/67/63/98/1205676398.db2.gz QZNODUOICFVKOO-ORQFMDKSSA-N 2 2 377.489 0.454 20 0 GCADLP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103374 1205676399 /nfs/dbraw/zinc/67/63/99/1205676399.db2.gz QZNODUOICFVKOO-ORQFMDKSSA-N 2 2 377.489 0.454 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+]([C@H]1CCN(C3CC3)C(=O)C1)C2 ZINC001172013505 1205711507 /nfs/dbraw/zinc/71/15/07/1205711507.db2.gz JCCUPMOKRXQELZ-KRWDZBQOSA-N 2 2 382.468 0.847 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+]([C@H]1CCN(C3CC3)C(=O)C1)C2 ZINC001172013505 1205711508 /nfs/dbraw/zinc/71/15/08/1205711508.db2.gz JCCUPMOKRXQELZ-KRWDZBQOSA-N 2 2 382.468 0.847 20 0 GCADLP COCCC[NH+]1CCC([NH2+]CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001172250415 1205715352 /nfs/dbraw/zinc/71/53/52/1205715352.db2.gz RFKZRFLUAWDMFG-SFHVURJKSA-N 2 2 376.501 0.290 20 0 GCADLP CC[C@H](C)OCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172352817 1205715550 /nfs/dbraw/zinc/71/55/50/1205715550.db2.gz UCEXBYHQYDXKHS-OTRWWLKZSA-N 2 2 379.505 0.995 20 0 GCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)CC2 ZINC001173576808 1205724470 /nfs/dbraw/zinc/72/44/70/1205724470.db2.gz PINYKCTTXPHJKK-MUJYYYPQSA-N 2 2 395.500 0.404 20 0 GCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)CC2 ZINC001173576808 1205724471 /nfs/dbraw/zinc/72/44/71/1205724471.db2.gz PINYKCTTXPHJKK-MUJYYYPQSA-N 2 2 395.500 0.404 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)C2 ZINC001173755170 1205727526 /nfs/dbraw/zinc/72/75/26/1205727526.db2.gz UKOMFGXOGLXGPR-SJORKVTESA-N 2 2 395.471 0.864 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)C2 ZINC001173755170 1205727527 /nfs/dbraw/zinc/72/75/27/1205727527.db2.gz UKOMFGXOGLXGPR-SJORKVTESA-N 2 2 395.471 0.864 20 0 GCADLP O=C(N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001175181112 1205736026 /nfs/dbraw/zinc/73/60/26/1205736026.db2.gz RVLRWGWEZJDXAI-MKXGPGLRSA-N 2 2 381.517 0.360 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCc3cn[nH]c3)CC2)C1=O ZINC001175926747 1205742647 /nfs/dbraw/zinc/74/26/47/1205742647.db2.gz TXWVPHVDOJREBE-UHFFFAOYSA-N 2 2 376.505 0.039 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCc3cn[nH]c3)CC2)C1=O ZINC001175926747 1205742649 /nfs/dbraw/zinc/74/26/49/1205742649.db2.gz TXWVPHVDOJREBE-UHFFFAOYSA-N 2 2 376.505 0.039 20 0 GCADLP COc1cc(N(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)C2CC[NH2+]CC2)ccn1 ZINC001176354595 1205746544 /nfs/dbraw/zinc/74/65/44/1205746544.db2.gz MTTYTFZNEFLIIY-QGZVFWFLSA-N 2 2 386.456 0.646 20 0 GCADLP COc1cc(N(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)C2CC[NH2+]CC2)ccn1 ZINC001176354595 1205746547 /nfs/dbraw/zinc/74/65/47/1205746547.db2.gz MTTYTFZNEFLIIY-QGZVFWFLSA-N 2 2 386.456 0.646 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)COc3ccccn3)CC2)C1=O ZINC001177636598 1205773334 /nfs/dbraw/zinc/77/33/34/1205773334.db2.gz ZGJLUJYDJHJPJT-UHFFFAOYSA-N 2 2 389.500 0.157 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)COc3ccccn3)CC2)C1=O ZINC001177636598 1205773336 /nfs/dbraw/zinc/77/33/36/1205773336.db2.gz ZGJLUJYDJHJPJT-UHFFFAOYSA-N 2 2 389.500 0.157 20 0 GCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001178101946 1205782097 /nfs/dbraw/zinc/78/20/97/1205782097.db2.gz GSBIBDNPSYNDPD-LTIDMASMSA-N 2 2 382.468 0.893 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)[C@H]2NCN[C@H]21 ZINC001178592952 1205789694 /nfs/dbraw/zinc/78/96/94/1205789694.db2.gz ANSATRMJIKDMSK-CEWLAPEOSA-N 2 2 392.507 0.227 20 0 GCADLP Cc1cc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1C ZINC001178571016 1205789817 /nfs/dbraw/zinc/78/98/17/1205789817.db2.gz FHYRYPCPJFCCIZ-INIZCTEOSA-N 2 2 385.516 0.665 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 ZINC001180759490 1205831292 /nfs/dbraw/zinc/83/12/92/1205831292.db2.gz PNWIWVDTYIZTEM-DLBZAZTESA-N 2 2 396.532 0.907 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 ZINC001180759490 1205831293 /nfs/dbraw/zinc/83/12/93/1205831293.db2.gz PNWIWVDTYIZTEM-DLBZAZTESA-N 2 2 396.532 0.907 20 0 GCADLP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001180763564 1205832720 /nfs/dbraw/zinc/83/27/20/1205832720.db2.gz JRGGGLABWVBDAF-SFHVURJKSA-N 2 2 375.469 0.884 20 0 GCADLP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001180763564 1205832721 /nfs/dbraw/zinc/83/27/21/1205832721.db2.gz JRGGGLABWVBDAF-SFHVURJKSA-N 2 2 375.469 0.884 20 0 GCADLP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001180763561 1205832798 /nfs/dbraw/zinc/83/27/98/1205832798.db2.gz JRGGGLABWVBDAF-GOSISDBHSA-N 2 2 375.469 0.884 20 0 GCADLP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001180763561 1205832799 /nfs/dbraw/zinc/83/27/99/1205832799.db2.gz JRGGGLABWVBDAF-GOSISDBHSA-N 2 2 375.469 0.884 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCCC[C@@H]3O)CC2)C1=O ZINC001181088882 1205838314 /nfs/dbraw/zinc/83/83/14/1205838314.db2.gz XDVYXPOFJYMFGQ-IRXDYDNUSA-N 2 2 380.533 0.234 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCCC[C@@H]3O)CC2)C1=O ZINC001181088882 1205838317 /nfs/dbraw/zinc/83/83/17/1205838317.db2.gz XDVYXPOFJYMFGQ-IRXDYDNUSA-N 2 2 380.533 0.234 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)C1=O ZINC001182025400 1205853501 /nfs/dbraw/zinc/85/35/01/1205853501.db2.gz YWZCBCJPCZPOBV-QGZVFWFLSA-N 2 2 394.560 0.888 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)C1=O ZINC001182025400 1205853503 /nfs/dbraw/zinc/85/35/03/1205853503.db2.gz YWZCBCJPCZPOBV-QGZVFWFLSA-N 2 2 394.560 0.888 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)[C@H]2NCN[C@H]21 ZINC001182244987 1205861146 /nfs/dbraw/zinc/86/11/46/1205861146.db2.gz RMHGWRLKBQRVCP-WNRNVDISSA-N 2 2 392.935 0.776 20 0 GCADLP Cc1noc(C)c1CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000774190456 1205864902 /nfs/dbraw/zinc/86/49/02/1205864902.db2.gz UAXMNFWLVNUCGR-OAHLLOKOSA-N 2 2 377.489 0.535 20 0 GCADLP Cc1noc(C)c1CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000774190456 1205864903 /nfs/dbraw/zinc/86/49/03/1205864903.db2.gz UAXMNFWLVNUCGR-OAHLLOKOSA-N 2 2 377.489 0.535 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)C1=O ZINC001182749421 1205879064 /nfs/dbraw/zinc/87/90/64/1205879064.db2.gz JOMYTFPTAOEKMN-OAHLLOKOSA-N 2 2 394.516 0.025 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)C1=O ZINC001182749421 1205879066 /nfs/dbraw/zinc/87/90/66/1205879066.db2.gz JOMYTFPTAOEKMN-OAHLLOKOSA-N 2 2 394.516 0.025 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[C@@]34CCCOC4)CC2)C1=O ZINC001183714999 1205899044 /nfs/dbraw/zinc/89/90/44/1205899044.db2.gz LESXSVNGFOLPDW-YLJYHZDGSA-N 2 2 392.544 0.500 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[C@@]34CCCOC4)CC2)C1=O ZINC001183714999 1205899045 /nfs/dbraw/zinc/89/90/45/1205899045.db2.gz LESXSVNGFOLPDW-YLJYHZDGSA-N 2 2 392.544 0.500 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000774726523 1205905891 /nfs/dbraw/zinc/90/58/91/1205905891.db2.gz OMQMPASZIGOXPU-KRWDZBQOSA-N 2 2 397.564 0.633 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000774726523 1205905892 /nfs/dbraw/zinc/90/58/92/1205905892.db2.gz OMQMPASZIGOXPU-KRWDZBQOSA-N 2 2 397.564 0.633 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCC[C@@H]3CO)CC2)C1=O ZINC001184159961 1205906219 /nfs/dbraw/zinc/90/62/19/1205906219.db2.gz FTBDIEFWRFDGAM-QZTJIDSGSA-N 2 2 394.560 0.482 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCC[C@@H]3CO)CC2)C1=O ZINC001184159961 1205906220 /nfs/dbraw/zinc/90/62/20/1205906220.db2.gz FTBDIEFWRFDGAM-QZTJIDSGSA-N 2 2 394.560 0.482 20 0 GCADLP CC(C)OC(=O)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001184440517 1205909220 /nfs/dbraw/zinc/90/92/20/1205909220.db2.gz BHDLPGHMZZEOGF-UHFFFAOYSA-N 2 2 382.505 0.025 20 0 GCADLP CC(C)OC(=O)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001184440517 1205909222 /nfs/dbraw/zinc/90/92/22/1205909222.db2.gz BHDLPGHMZZEOGF-UHFFFAOYSA-N 2 2 382.505 0.025 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3COC(C)(C)OC3)CC2)C1=O ZINC001184454310 1205910658 /nfs/dbraw/zinc/91/06/58/1205910658.db2.gz GZNVUZNAGTVSAC-UHFFFAOYSA-N 2 2 396.532 0.082 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3COC(C)(C)OC3)CC2)C1=O ZINC001184454310 1205910659 /nfs/dbraw/zinc/91/06/59/1205910659.db2.gz GZNVUZNAGTVSAC-UHFFFAOYSA-N 2 2 396.532 0.082 20 0 GCADLP O=C(C[N@H+]1CC[C@H](O)C1)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001186038177 1205933486 /nfs/dbraw/zinc/93/34/86/1205933486.db2.gz NPHJOWHGBNJKLW-HNNXBMFYSA-N 2 2 386.500 0.285 20 0 GCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001186038177 1205933487 /nfs/dbraw/zinc/93/34/87/1205933487.db2.gz NPHJOWHGBNJKLW-HNNXBMFYSA-N 2 2 386.500 0.285 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)n2cc(Br)ccc2=NCC[NH3+])C1 ZINC001186116885 1205935561 /nfs/dbraw/zinc/93/55/61/1205935561.db2.gz PUKFAJZOPFLMEP-NSHDSACASA-N 2 2 385.262 0.245 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)n2cc(Br)ccc2=NCC[NH3+])C1 ZINC001186116885 1205935562 /nfs/dbraw/zinc/93/55/62/1205935562.db2.gz PUKFAJZOPFLMEP-NSHDSACASA-N 2 2 385.262 0.245 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H](O)C3CCCCC3)CC2)C1=O ZINC001186998841 1205954318 /nfs/dbraw/zinc/95/43/18/1205954318.db2.gz ZEKKBUFJPSWUGF-GOSISDBHSA-N 2 2 394.560 0.624 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H](O)C3CCCCC3)CC2)C1=O ZINC001186998841 1205954321 /nfs/dbraw/zinc/95/43/21/1205954321.db2.gz ZEKKBUFJPSWUGF-GOSISDBHSA-N 2 2 394.560 0.624 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)O1 ZINC001188322271 1205979505 /nfs/dbraw/zinc/97/95/05/1205979505.db2.gz IIXAHGIHHSQJNP-BZZMCLGOSA-N 2 2 378.517 0.107 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)O1 ZINC001188322271 1205979506 /nfs/dbraw/zinc/97/95/06/1205979506.db2.gz IIXAHGIHHSQJNP-BZZMCLGOSA-N 2 2 378.517 0.107 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)CC4CC4)C[C@H]32)O1 ZINC001188322271 1205979508 /nfs/dbraw/zinc/97/95/08/1205979508.db2.gz IIXAHGIHHSQJNP-BZZMCLGOSA-N 2 2 378.517 0.107 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)CC4CC4)C[C@H]32)O1 ZINC001188322271 1205979510 /nfs/dbraw/zinc/97/95/10/1205979510.db2.gz IIXAHGIHHSQJNP-BZZMCLGOSA-N 2 2 378.517 0.107 20 0 GCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1[nH]ncc1I ZINC001189144756 1205998051 /nfs/dbraw/zinc/99/80/51/1205998051.db2.gz DWAZEQBMSJNBBF-UHFFFAOYSA-N 2 2 378.218 0.692 20 0 GCADLP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167380 1205999414 /nfs/dbraw/zinc/99/94/14/1205999414.db2.gz LFMGQENJKHHWGJ-DODZYUBVSA-N 2 2 389.500 0.209 20 0 GCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167380 1205999417 /nfs/dbraw/zinc/99/94/17/1205999417.db2.gz LFMGQENJKHHWGJ-DODZYUBVSA-N 2 2 389.500 0.209 20 0 GCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001164703917 719844270 /nfs/dbraw/zinc/84/42/70/719844270.db2.gz REQUWYYBSCIQHM-HNAYVOBHSA-N 2 2 375.473 0.355 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001164703915 719844318 /nfs/dbraw/zinc/84/43/18/719844318.db2.gz REQUWYYBSCIQHM-BEFAXECRSA-N 2 2 375.473 0.355 20 0 GCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CC[NH2+]C2 ZINC001164707162 719846222 /nfs/dbraw/zinc/84/62/22/719846222.db2.gz ZSDFYZYSZQFXHB-IFXJQAMLSA-N 2 2 375.473 0.355 20 0 GCADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164890585 721394735 /nfs/dbraw/zinc/39/47/35/721394735.db2.gz OLYAUUUTIVAXGS-UTKZUKDTSA-N 2 2 386.544 0.888 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2[nH+]ccc4c2NC(=O)CO4)CC3)CC1 ZINC001164794069 721514432 /nfs/dbraw/zinc/51/44/32/721514432.db2.gz DOGGSPBRVQAIJJ-UHFFFAOYSA-N 2 2 383.456 0.377 20 0 GCADLP C[NH+]1CCN(c2ncnc3c2CCN(c2[nH+]ccc4c2NC(=O)CO4)CC3)CC1 ZINC001164997647 722233722 /nfs/dbraw/zinc/23/37/22/722233722.db2.gz SXTFEIVBUAIQBZ-UHFFFAOYSA-N 2 2 395.467 0.560 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001571263805 945467148 /nfs/dbraw/zinc/46/71/48/945467148.db2.gz BIELABMGGNBPRB-ZBFHGGJFSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001571263805 945467153 /nfs/dbraw/zinc/46/71/53/945467153.db2.gz BIELABMGGNBPRB-ZBFHGGJFSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571263805 945467159 /nfs/dbraw/zinc/46/71/59/945467159.db2.gz BIELABMGGNBPRB-ZBFHGGJFSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571263805 945467165 /nfs/dbraw/zinc/46/71/65/945467165.db2.gz BIELABMGGNBPRB-ZBFHGGJFSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001571263802 945467279 /nfs/dbraw/zinc/46/72/79/945467279.db2.gz BIELABMGGNBPRB-GDBMZVCRSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001571263802 945467285 /nfs/dbraw/zinc/46/72/85/945467285.db2.gz BIELABMGGNBPRB-GDBMZVCRSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571263802 945467290 /nfs/dbraw/zinc/46/72/90/945467290.db2.gz BIELABMGGNBPRB-GDBMZVCRSA-N 2 2 385.472 0.518 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571263802 945467294 /nfs/dbraw/zinc/46/72/94/945467294.db2.gz BIELABMGGNBPRB-GDBMZVCRSA-N 2 2 385.472 0.518 20 0 GCADLP C[NH+]1CCC(O)(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826028831 947410558 /nfs/dbraw/zinc/41/05/58/947410558.db2.gz JDSLUMYZFYTHCA-UHFFFAOYSA-N 3 2 385.516 0.877 20 0 GCADLP Cc1onc(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1-c1nn[nH]n1 ZINC000826348762 948080167 /nfs/dbraw/zinc/08/01/67/948080167.db2.gz CPPBGJGCPIDGID-UHFFFAOYSA-N 2 2 383.416 0.491 20 0 GCADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265035 949438912 /nfs/dbraw/zinc/43/89/12/949438912.db2.gz RTLCTTNAIPVNTF-SUMWQHHRSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265035 949438927 /nfs/dbraw/zinc/43/89/27/949438927.db2.gz RTLCTTNAIPVNTF-SUMWQHHRSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265033 949439443 /nfs/dbraw/zinc/43/94/43/949439443.db2.gz RTLCTTNAIPVNTF-GUYCJALGSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265033 949439459 /nfs/dbraw/zinc/43/94/59/949439459.db2.gz RTLCTTNAIPVNTF-GUYCJALGSA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711448 949537750 /nfs/dbraw/zinc/53/77/50/949537750.db2.gz HJNKIFLGEVRDPV-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711448 949537766 /nfs/dbraw/zinc/53/77/66/949537766.db2.gz HJNKIFLGEVRDPV-BLLLJJGKSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711806 949555671 /nfs/dbraw/zinc/55/56/71/949555671.db2.gz MLDMSBQELMJGBO-STQMWFEESA-N 2 2 381.444 0.402 20 0 GCADLP CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001573819014 949746745 /nfs/dbraw/zinc/74/67/45/949746745.db2.gz QYOVBPKJNUGTRL-OAHLLOKOSA-N 2 2 383.460 0.913 20 0 GCADLP C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574492358 950079688 /nfs/dbraw/zinc/07/96/88/950079688.db2.gz AJSKYZOGBIHPJD-ZFWWWQNUSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574498331 950271577 /nfs/dbraw/zinc/27/15/77/950271577.db2.gz MGPXYNMWDOWPEY-CZUORRHYSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575906963 950321085 /nfs/dbraw/zinc/32/10/85/950321085.db2.gz LFDJZFWHNNPYCJ-CXAGYDPISA-N 2 2 380.456 0.922 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576205860 950545091 /nfs/dbraw/zinc/54/50/91/950545091.db2.gz QNJFNNQVAQORCQ-ZDUSSCGKSA-N 2 2 387.463 0.896 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576205860 950545109 /nfs/dbraw/zinc/54/51/09/950545109.db2.gz QNJFNNQVAQORCQ-ZDUSSCGKSA-N 2 2 387.463 0.896 20 0 GCADLP CC(C)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576206042 950552699 /nfs/dbraw/zinc/55/26/99/950552699.db2.gz TVVBNLHALKGDSM-KRWDZBQOSA-N 2 2 386.504 0.968 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576206133 950558998 /nfs/dbraw/zinc/55/89/98/950558998.db2.gz VAZUVIWJXPAYOS-AWEZNQCLSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576206133 950559023 /nfs/dbraw/zinc/55/90/23/950559023.db2.gz VAZUVIWJXPAYOS-AWEZNQCLSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101561 951861407 /nfs/dbraw/zinc/86/14/07/951861407.db2.gz HOJAPQXUWGIKOW-LBPRGKRZSA-N 2 2 386.435 0.824 20 0 GCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001575145015 952176934 /nfs/dbraw/zinc/17/69/34/952176934.db2.gz OEUJNPPKWMVAPR-QWHCGFSZSA-N 2 2 381.444 0.402 20 0 GCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001575145987 952189973 /nfs/dbraw/zinc/18/99/73/952189973.db2.gz FGRMBVZQUGYGQX-NSHDSACASA-N 2 2 385.432 0.306 20 0 GCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575202629 952514497 /nfs/dbraw/zinc/51/44/97/952514497.db2.gz WOJCZJLLELLIEQ-BLLLJJGKSA-N 2 2 384.444 0.035 20 0 GCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571147028 952656516 /nfs/dbraw/zinc/65/65/16/952656516.db2.gz QLJCGMLHRPDGHL-QWHCGFSZSA-N 2 2 379.428 0.156 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169425 952773507 /nfs/dbraw/zinc/77/35/07/952773507.db2.gz CDIIWISMHUXPQT-INIZCTEOSA-N 2 2 380.456 0.876 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169425 952773512 /nfs/dbraw/zinc/77/35/12/952773512.db2.gz CDIIWISMHUXPQT-INIZCTEOSA-N 2 2 380.456 0.876 20 0 GCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172354 952805433 /nfs/dbraw/zinc/80/54/33/952805433.db2.gz TUPULNORYQZBQT-OAHLLOKOSA-N 2 2 380.456 0.924 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001571198983 952995046 /nfs/dbraw/zinc/99/50/46/952995046.db2.gz JNAFKGPEYKDBKN-HNNXBMFYSA-N 2 2 382.428 0.463 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571212013 953082456 /nfs/dbraw/zinc/08/24/56/953082456.db2.gz HIZKUNFOUCVRLM-KFWWJZLASA-N 2 2 382.472 0.783 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571212013 953082461 /nfs/dbraw/zinc/08/24/61/953082461.db2.gz HIZKUNFOUCVRLM-KFWWJZLASA-N 2 2 382.472 0.783 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571212215 953085981 /nfs/dbraw/zinc/08/59/81/953085981.db2.gz JICGANTVAJPGLE-JKIFEVAISA-N 2 2 382.472 0.926 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571212215 953085985 /nfs/dbraw/zinc/08/59/85/953085985.db2.gz JICGANTVAJPGLE-JKIFEVAISA-N 2 2 382.472 0.926 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571241839 953250293 /nfs/dbraw/zinc/25/02/93/953250293.db2.gz MUBXOABZQLPBFA-AWEZNQCLSA-N 2 2 384.419 0.841 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571249086 953300130 /nfs/dbraw/zinc/30/01/30/953300130.db2.gz CUMITWQMQJHVJV-CZUORRHYSA-N 2 2 384.488 0.935 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571249086 953300134 /nfs/dbraw/zinc/30/01/34/953300134.db2.gz CUMITWQMQJHVJV-CZUORRHYSA-N 2 2 384.488 0.935 20 0 GCADLP C[C@@H](C(=O)NCCCNC(=O)[C@H](C)[NH+]1CCSCC1)[NH+]1CCSCC1 ZINC000557648444 530198819 /nfs/dbraw/zinc/19/88/19/530198819.db2.gz WWPKLWSEFCZQRP-GJZGRUSLSA-N 2 2 388.603 0.484 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NCC[NH+]3CCSCC3)nc2)CC1 ZINC000602234480 530170288 /nfs/dbraw/zinc/17/02/88/530170288.db2.gz XRYCBLDKRIPVGX-UHFFFAOYSA-N 2 2 385.559 0.478 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707504 530241638 /nfs/dbraw/zinc/24/16/38/530241638.db2.gz BGNNBRUZVNLZPE-NFAWXSAZSA-N 2 2 393.285 0.946 20 0 GCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707504 530241641 /nfs/dbraw/zinc/24/16/41/530241641.db2.gz BGNNBRUZVNLZPE-NFAWXSAZSA-N 2 2 393.285 0.946 20 0 GCADLP CN(C)c1cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH+]cc1Br ZINC000584302773 530248043 /nfs/dbraw/zinc/24/80/43/530248043.db2.gz NNWSNKCWCQGSPR-ONGXEEELSA-N 2 2 397.277 0.686 20 0 GCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@H](C[NH3+])C1 ZINC000572600429 530276849 /nfs/dbraw/zinc/27/68/49/530276849.db2.gz UYTLDSGUMJJJDS-SWLSCSKDSA-N 2 2 395.301 0.903 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@H](C[NH3+])C1 ZINC000572600429 530276852 /nfs/dbraw/zinc/27/68/52/530276852.db2.gz UYTLDSGUMJJJDS-SWLSCSKDSA-N 2 2 395.301 0.903 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C[C@@H](C)C(=O)OC)CC2)CC1 ZINC000574913986 530328069 /nfs/dbraw/zinc/32/80/69/530328069.db2.gz TZOGNUDHMWKZGW-OAHLLOKOSA-N 2 2 375.535 0.617 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C[C@@H](C)C(=O)OC)CC2)CC1 ZINC000574913986 530328071 /nfs/dbraw/zinc/32/80/71/530328071.db2.gz TZOGNUDHMWKZGW-OAHLLOKOSA-N 2 2 375.535 0.617 20 0 GCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132902 530368351 /nfs/dbraw/zinc/36/83/51/530368351.db2.gz BTOATMMTWOBWGB-OLZOCXBDSA-N 2 2 392.257 0.201 20 0 GCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132902 530368352 /nfs/dbraw/zinc/36/83/52/530368352.db2.gz BTOATMMTWOBWGB-OLZOCXBDSA-N 2 2 392.257 0.201 20 0 GCADLP CCS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000563013502 530350382 /nfs/dbraw/zinc/35/03/82/530350382.db2.gz JHTXVEVDCGMRHK-ZOBUZTSGSA-N 2 2 377.551 0.108 20 0 GCADLP C[C@H]1C[NH+](CCCCNS(=O)(=O)CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000498883674 530394261 /nfs/dbraw/zinc/39/42/61/530394261.db2.gz KYSIRHQSWMEQJJ-IRXDYDNUSA-N 2 2 377.551 0.518 20 0 GCADLP CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594803463 530439340 /nfs/dbraw/zinc/43/93/40/530439340.db2.gz OAKVECVTGRNBTB-GJZGRUSLSA-N 2 2 378.539 0.120 20 0 GCADLP CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594803463 530439341 /nfs/dbraw/zinc/43/93/41/530439341.db2.gz OAKVECVTGRNBTB-GJZGRUSLSA-N 2 2 378.539 0.120 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCSc3ccccc3)CC2)CC1 ZINC000605186687 530503430 /nfs/dbraw/zinc/50/34/30/530503430.db2.gz DQQUUUAZZDYFFI-UHFFFAOYSA-N 2 2 384.571 0.889 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417230182 530516128 /nfs/dbraw/zinc/51/61/28/530516128.db2.gz YNODAKWGZHFCKL-ZDUSSCGKSA-N 2 2 381.278 0.800 20 0 GCADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000563521576 530526688 /nfs/dbraw/zinc/52/66/88/530526688.db2.gz YDQXZSWRUVKMLG-AWEZNQCLSA-N 2 2 398.305 0.463 20 0 GCADLP C[N@H+]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000563521576 530526689 /nfs/dbraw/zinc/52/66/89/530526689.db2.gz YDQXZSWRUVKMLG-AWEZNQCLSA-N 2 2 398.305 0.463 20 0 GCADLP C[N@@H+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H](C[NH3+])C1 ZINC000567899768 530550023 /nfs/dbraw/zinc/55/00/23/530550023.db2.gz UNPWHHVKXMNSIF-LBPRGKRZSA-N 2 2 384.274 0.864 20 0 GCADLP C[N@H+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H](C[NH3+])C1 ZINC000567899768 530550024 /nfs/dbraw/zinc/55/00/24/530550024.db2.gz UNPWHHVKXMNSIF-LBPRGKRZSA-N 2 2 384.274 0.864 20 0 GCADLP C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000566968893 530535849 /nfs/dbraw/zinc/53/58/49/530535849.db2.gz LEDFBVCSNRCBGY-ZDUSSCGKSA-N 2 2 379.885 0.802 20 0 GCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000566968893 530535851 /nfs/dbraw/zinc/53/58/51/530535851.db2.gz LEDFBVCSNRCBGY-ZDUSSCGKSA-N 2 2 379.885 0.802 20 0 GCADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000569021165 530565948 /nfs/dbraw/zinc/56/59/48/530565948.db2.gz OLFYXKUPVZOLFU-OLZOCXBDSA-N 2 2 393.535 0.190 20 0 GCADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000569021165 530565951 /nfs/dbraw/zinc/56/59/51/530565951.db2.gz OLFYXKUPVZOLFU-OLZOCXBDSA-N 2 2 393.535 0.190 20 0 GCADLP O=S(=O)(CCCCS(=O)(=O)N1CC[NH+](C2CC2)CC1)Nc1c[nH+]c[nH]1 ZINC000572899591 530572193 /nfs/dbraw/zinc/57/21/93/530572193.db2.gz DTFTXFVBRYYEFT-UHFFFAOYSA-N 2 2 391.519 0.041 20 0 GCADLP COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000327771818 530578847 /nfs/dbraw/zinc/57/88/47/530578847.db2.gz LSYDXCHIEBBZMW-HOTGVXAUSA-N 2 2 375.535 0.616 20 0 GCADLP COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000327771818 530578850 /nfs/dbraw/zinc/57/88/50/530578850.db2.gz LSYDXCHIEBBZMW-HOTGVXAUSA-N 2 2 375.535 0.616 20 0 GCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000574071934 530587147 /nfs/dbraw/zinc/58/71/47/530587147.db2.gz OHRMDRFJNIVVPA-MGPQQGTHSA-N 2 2 377.532 0.086 20 0 GCADLP O=S(=O)(CCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577530081 530621688 /nfs/dbraw/zinc/62/16/88/530621688.db2.gz AJRXJKJFJXYSPD-CYBMUJFWSA-N 2 2 391.519 0.041 20 0 GCADLP O=S(=O)(CCCCS(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577530081 530621691 /nfs/dbraw/zinc/62/16/91/530621691.db2.gz AJRXJKJFJXYSPD-CYBMUJFWSA-N 2 2 391.519 0.041 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000462902208 530654760 /nfs/dbraw/zinc/65/47/60/530654760.db2.gz IGKBBIZCIMDFAS-CVEARBPZSA-N 2 2 375.535 0.854 20 0 GCADLP C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768188 530664407 /nfs/dbraw/zinc/66/44/07/530664407.db2.gz SRXWDIDWTOLREX-CYBMUJFWSA-N 2 2 376.548 0.415 20 0 GCADLP C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768188 530664408 /nfs/dbraw/zinc/66/44/08/530664408.db2.gz SRXWDIDWTOLREX-CYBMUJFWSA-N 2 2 376.548 0.415 20 0 GCADLP CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767376 530664516 /nfs/dbraw/zinc/66/45/16/530664516.db2.gz RIPGJOIDUAHUFX-INIZCTEOSA-N 2 2 376.567 0.580 20 0 GCADLP CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767376 530664518 /nfs/dbraw/zinc/66/45/18/530664518.db2.gz RIPGJOIDUAHUFX-INIZCTEOSA-N 2 2 376.567 0.580 20 0 GCADLP CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000467553795 530675080 /nfs/dbraw/zinc/67/50/80/530675080.db2.gz LLTKXSPGFVQWSG-ZBFHGGJFSA-N 2 2 376.567 0.435 20 0 GCADLP CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467553795 530675083 /nfs/dbraw/zinc/67/50/83/530675083.db2.gz LLTKXSPGFVQWSG-ZBFHGGJFSA-N 2 2 376.567 0.435 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCCOC(C)(C)C)CC2)CC1 ZINC000475053815 530722544 /nfs/dbraw/zinc/72/25/44/530722544.db2.gz LRXJUYVVUXIHBT-UHFFFAOYSA-N 2 2 376.567 0.692 20 0 GCADLP CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482038097 530782523 /nfs/dbraw/zinc/78/25/23/530782523.db2.gz YEDGFXMIDPBUBY-HNNXBMFYSA-N 2 2 394.607 0.190 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000674037069 530830518 /nfs/dbraw/zinc/83/05/18/530830518.db2.gz VECLMHFSDWHMHG-OAHLLOKOSA-N 2 2 376.567 0.867 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000674037069 530830519 /nfs/dbraw/zinc/83/05/19/530830519.db2.gz VECLMHFSDWHMHG-OAHLLOKOSA-N 2 2 376.567 0.867 20 0 GCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000657601073 530898273 /nfs/dbraw/zinc/89/82/73/530898273.db2.gz AWBQOLABRLZBBW-DOTOQJQBSA-N 2 2 387.933 0.993 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCN(C)S(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000584716959 530922395 /nfs/dbraw/zinc/92/23/95/530922395.db2.gz PZDZTORAPVGBRL-KFWWJZLASA-N 2 2 391.559 0.428 20 0 GCADLP [NH3+][C@@H](CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000419857123 530962878 /nfs/dbraw/zinc/96/28/78/530962878.db2.gz FZAKPYYUTKELGP-LBPRGKRZSA-N 2 2 380.246 0.567 20 0 GCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000419041530 530953162 /nfs/dbraw/zinc/95/31/62/530953162.db2.gz KIZIKMIDKLCHLV-LBPRGKRZSA-N 2 2 394.273 0.842 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)[nH+]c12 ZINC000419044085 530953552 /nfs/dbraw/zinc/95/35/52/530953552.db2.gz OVYBBUQMKQEMDM-NSHDSACASA-N 2 2 394.273 0.829 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])[nH+]c12 ZINC000419043952 530953595 /nfs/dbraw/zinc/95/35/95/530953595.db2.gz ORDMAOOSUAIUCO-SNVBAGLBSA-N 2 2 382.262 0.827 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)NCC(C)(C)[NH3+])[nH+]c12 ZINC000419040191 530953733 /nfs/dbraw/zinc/95/37/33/530953733.db2.gz IFHSOWSPZFQVCV-UHFFFAOYSA-N 2 2 396.289 0.917 20 0 GCADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350301 530967334 /nfs/dbraw/zinc/96/73/34/530967334.db2.gz GLJKOSRTXFGSTR-BXKDBHETSA-N 2 2 377.226 0.870 20 0 GCADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350301 530967336 /nfs/dbraw/zinc/96/73/36/530967336.db2.gz GLJKOSRTXFGSTR-BXKDBHETSA-N 2 2 377.226 0.870 20 0 GCADLP O=C(NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Br)cn1 ZINC000665236531 531051849 /nfs/dbraw/zinc/05/18/49/531051849.db2.gz ORKDSJBYQSWDBB-HUUCEWRRSA-N 2 2 383.290 0.931 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000546622984 531093050 /nfs/dbraw/zinc/09/30/50/531093050.db2.gz XSFKLOWJTACRRA-HOCLYGCPSA-N 2 2 375.535 0.712 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C[C@@H](O)C[NH3+] ZINC000649419813 531144334 /nfs/dbraw/zinc/14/43/34/531144334.db2.gz XEWWBRPSNLPBMF-LBPRGKRZSA-N 2 2 376.288 0.288 20 0 GCADLP C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C[C@@H](O)C[NH3+] ZINC000649419813 531144337 /nfs/dbraw/zinc/14/43/37/531144337.db2.gz XEWWBRPSNLPBMF-LBPRGKRZSA-N 2 2 376.288 0.288 20 0 GCADLP CCOC[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736609214 598849294 /nfs/dbraw/zinc/84/92/94/598849294.db2.gz PCNLWPLOABJZBL-CQSZACIVSA-N 2 2 383.456 0.934 20 0 GCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736144607 598348105 /nfs/dbraw/zinc/34/81/05/598348105.db2.gz PLBJYSAAJQSYEA-PBHICJAKSA-N 2 2 390.488 0.383 20 0 GCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736144607 598348107 /nfs/dbraw/zinc/34/81/07/598348107.db2.gz PLBJYSAAJQSYEA-PBHICJAKSA-N 2 2 390.488 0.383 20 0 GCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736142226 598348134 /nfs/dbraw/zinc/34/81/34/598348134.db2.gz DMEFOXSYBZHMLA-AWEZNQCLSA-N 2 2 387.488 0.972 20 0 GCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736142226 598348136 /nfs/dbraw/zinc/34/81/36/598348136.db2.gz DMEFOXSYBZHMLA-AWEZNQCLSA-N 2 2 387.488 0.972 20 0 GCADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](CCN2CCOCC2)CC1 ZINC000738438075 598702854 /nfs/dbraw/zinc/70/28/54/598702854.db2.gz VZQBCBZJSPUPPS-UHFFFAOYSA-N 2 2 394.483 0.869 20 0 GCADLP CN(C(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736853679 598743443 /nfs/dbraw/zinc/74/34/43/598743443.db2.gz ZLYFOOBXMKFDCM-QGZVFWFLSA-N 2 2 399.499 0.872 20 0 GCADLP CN(C(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736853679 598743444 /nfs/dbraw/zinc/74/34/44/598743444.db2.gz ZLYFOOBXMKFDCM-QGZVFWFLSA-N 2 2 399.499 0.872 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736851713 598768999 /nfs/dbraw/zinc/76/89/99/598768999.db2.gz KUNPOFJJZWQENH-MRXNPFEDSA-N 2 2 384.488 0.563 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736851713 598769001 /nfs/dbraw/zinc/76/90/01/598769001.db2.gz KUNPOFJJZWQENH-MRXNPFEDSA-N 2 2 384.488 0.563 20 0 GCADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1-c1nn[nH]n1 ZINC000821813462 599422193 /nfs/dbraw/zinc/42/21/93/599422193.db2.gz HTCRJNNSNGZZFK-MRXNPFEDSA-N 2 2 387.488 0.908 20 0 GCADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1-c1nn[nH]n1 ZINC000821813462 599422196 /nfs/dbraw/zinc/42/21/96/599422196.db2.gz HTCRJNNSNGZZFK-MRXNPFEDSA-N 2 2 387.488 0.908 20 0 GCADLP COc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000821804058 599439499 /nfs/dbraw/zinc/43/94/99/599439499.db2.gz JHSCDHDBGDKYCK-INIZCTEOSA-N 2 2 387.488 0.371 20 0 GCADLP COc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000821804059 599439768 /nfs/dbraw/zinc/43/97/68/599439768.db2.gz JHSCDHDBGDKYCK-MRXNPFEDSA-N 2 2 387.488 0.371 20 0 GCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822699048 606067458 /nfs/dbraw/zinc/06/74/58/606067458.db2.gz MNJXQPAYLZLGFA-HNNXBMFYSA-N 2 2 384.444 0.162 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821623073 607074052 /nfs/dbraw/zinc/07/40/52/607074052.db2.gz BRFGLFNHCHMWGT-SFHVURJKSA-N 2 2 399.499 0.874 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821623073 607074054 /nfs/dbraw/zinc/07/40/54/607074054.db2.gz BRFGLFNHCHMWGT-SFHVURJKSA-N 2 2 399.499 0.874 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821623072 607074329 /nfs/dbraw/zinc/07/43/29/607074329.db2.gz BRFGLFNHCHMWGT-GOSISDBHSA-N 2 2 399.499 0.874 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821623072 607074331 /nfs/dbraw/zinc/07/43/31/607074331.db2.gz BRFGLFNHCHMWGT-GOSISDBHSA-N 2 2 399.499 0.874 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000821623235 607074384 /nfs/dbraw/zinc/07/43/84/607074384.db2.gz HAPQDUKNZLXXRE-INIZCTEOSA-N 2 2 385.472 0.484 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000821623235 607074385 /nfs/dbraw/zinc/07/43/85/607074385.db2.gz HAPQDUKNZLXXRE-INIZCTEOSA-N 2 2 385.472 0.484 20 0 GCADLP C[C@@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824993332 608739062 /nfs/dbraw/zinc/73/90/62/608739062.db2.gz QCDTYTOVLRVJOZ-QAPCUYQASA-N 2 2 395.515 0.972 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824993332 608739063 /nfs/dbraw/zinc/73/90/63/608739063.db2.gz QCDTYTOVLRVJOZ-QAPCUYQASA-N 2 2 395.515 0.972 20 0 GCADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000826168107 609491179 /nfs/dbraw/zinc/49/11/79/609491179.db2.gz CAYXASMBSYUEHW-UHFFFAOYSA-N 2 2 388.472 0.534 20 0 GCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000826505627 609491307 /nfs/dbraw/zinc/49/13/07/609491307.db2.gz AUVSHDKBJGQLFQ-UHFFFAOYSA-N 2 2 376.436 0.665 20 0 GCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826505930 609493844 /nfs/dbraw/zinc/49/38/44/609493844.db2.gz IMXQCFHOPVYECF-UHFFFAOYSA-N 2 2 376.436 0.665 20 0 GCADLP COc1ccc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cc1-c1nn[nH]n1 ZINC000826206800 609499719 /nfs/dbraw/zinc/49/97/19/609499719.db2.gz LSZIGCSVVRESNC-HNNXBMFYSA-N 2 2 375.433 0.983 20 0 GCADLP COc1ccc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cc1-c1nn[nH]n1 ZINC000826206800 609499721 /nfs/dbraw/zinc/49/97/21/609499721.db2.gz LSZIGCSVVRESNC-HNNXBMFYSA-N 2 2 375.433 0.983 20 0 GCADLP CN(CC(C)(C)C[NH+](C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929299 638601926 /nfs/dbraw/zinc/60/19/26/638601926.db2.gz GIQKUSQIMLWQIA-UHFFFAOYSA-N 2 2 376.567 0.725 20 0 GCADLP C[NH+](C)CC(C)(C)CNC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731568602 639768326 /nfs/dbraw/zinc/76/83/26/639768326.db2.gz BGLYKUZVVYXQGE-UHFFFAOYSA-N 2 2 378.608 0.547 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731570287 639768566 /nfs/dbraw/zinc/76/85/66/639768566.db2.gz TXFVWQDZBMOPKC-HNNXBMFYSA-N 2 2 376.592 0.444 20 0 GCADLP CC[N@H+]1CCC[C@H]1CNC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731570287 639768568 /nfs/dbraw/zinc/76/85/68/639768568.db2.gz TXFVWQDZBMOPKC-HNNXBMFYSA-N 2 2 376.592 0.444 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870909161 641447023 /nfs/dbraw/zinc/44/70/23/641447023.db2.gz BAVAOFXVPIOGHQ-GJZGRUSLSA-N 2 2 386.290 0.600 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)C(C)C ZINC000812438496 641770789 /nfs/dbraw/zinc/77/07/89/641770789.db2.gz DFAPFCOFVANTAG-INIZCTEOSA-N 2 2 376.567 0.867 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)C(C)C ZINC000812438496 641770790 /nfs/dbraw/zinc/77/07/90/641770790.db2.gz DFAPFCOFVANTAG-INIZCTEOSA-N 2 2 376.567 0.867 20 0 GCADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884308025 641781201 /nfs/dbraw/zinc/78/12/01/641781201.db2.gz CEDSDDSBNYPHQD-HNNXBMFYSA-N 2 2 375.922 0.992 20 0 GCADLP O=S(=O)(N1CCC(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1)C(F)(F)F ZINC000817890650 641891496 /nfs/dbraw/zinc/89/14/96/641891496.db2.gz WABZAJZUIXMBBH-UONOGXRCSA-N 2 2 385.452 0.905 20 0 GCADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817965418 641892817 /nfs/dbraw/zinc/89/28/17/641892817.db2.gz PZCFDBVBLGTTMY-NHYWBVRUSA-N 2 2 375.516 0.800 20 0 GCADLP C[NH+]1CC[C@@H]1CNC(=O)c1oc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1Br ZINC000928554279 641948854 /nfs/dbraw/zinc/94/88/54/641948854.db2.gz GOJKOZOHOSSNRO-WDEREUQCSA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@@H]1CNC(=O)c1oc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1Br ZINC000928554279 641948860 /nfs/dbraw/zinc/94/88/60/641948860.db2.gz GOJKOZOHOSSNRO-WDEREUQCSA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@H]1CNC(=O)c1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+]2C)o1 ZINC000928554279 641948862 /nfs/dbraw/zinc/94/88/62/641948862.db2.gz GOJKOZOHOSSNRO-WDEREUQCSA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@H]1CNC(=O)c1cc(Br)c(C(=O)NC[C@H]2CC[N@H+]2C)o1 ZINC000928554279 641948865 /nfs/dbraw/zinc/94/88/65/641948865.db2.gz GOJKOZOHOSSNRO-WDEREUQCSA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@@H]1CNC(=O)c1oc(C(=O)NC[C@H]2CC[N@H+]2C)cc1Br ZINC000928554271 641949108 /nfs/dbraw/zinc/94/91/08/641949108.db2.gz GOJKOZOHOSSNRO-GHMZBOCLSA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@@H]1CNC(=O)c1oc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1Br ZINC000928554271 641949110 /nfs/dbraw/zinc/94/91/10/641949110.db2.gz GOJKOZOHOSSNRO-GHMZBOCLSA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@@H]1CNC(=O)c1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+]2C)o1 ZINC000928554271 641949112 /nfs/dbraw/zinc/94/91/12/641949112.db2.gz GOJKOZOHOSSNRO-GHMZBOCLSA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@@H]1CNC(=O)c1cc(Br)c(C(=O)NC[C@H]2CC[N@H+]2C)o1 ZINC000928554271 641949115 /nfs/dbraw/zinc/94/91/15/641949115.db2.gz GOJKOZOHOSSNRO-GHMZBOCLSA-N 2 2 399.289 0.910 20 0 GCADLP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000246872545 642062405 /nfs/dbraw/zinc/06/24/05/642062405.db2.gz WKVKFPHOPAVVCD-MHORFTMASA-N 2 2 376.563 0.872 20 0 GCADLP C[C@@H](O)C[C@@H]1CCC[N@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000246872545 642062412 /nfs/dbraw/zinc/06/24/12/642062412.db2.gz WKVKFPHOPAVVCD-MHORFTMASA-N 2 2 376.563 0.872 20 0 GCADLP C[C@@H](O)C[C@@H]1CCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246872545 642062418 /nfs/dbraw/zinc/06/24/18/642062418.db2.gz WKVKFPHOPAVVCD-MHORFTMASA-N 2 2 376.563 0.872 20 0 GCADLP C[C@@H](O)C[C@@H]1CCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246872545 642062425 /nfs/dbraw/zinc/06/24/25/642062425.db2.gz WKVKFPHOPAVVCD-MHORFTMASA-N 2 2 376.563 0.872 20 0 GCADLP C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH3+])cc2Br)CC1 ZINC000841146035 642290637 /nfs/dbraw/zinc/29/06/37/642290637.db2.gz LNTGXHQTYVJFKS-UHFFFAOYSA-N 2 2 384.278 0.214 20 0 GCADLP C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2Br)CC1 ZINC000841174079 642291228 /nfs/dbraw/zinc/29/12/28/642291228.db2.gz GGZPHKJFKRTOLH-UHFFFAOYSA-N 2 2 396.289 0.227 20 0 GCADLP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000841229091 642292044 /nfs/dbraw/zinc/29/20/44/642292044.db2.gz IKPHPTURUUGSBJ-LLVKDONJSA-N 2 2 398.305 0.603 20 0 GCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000025525339 1192198506 /nfs/dbraw/zinc/19/85/06/1192198506.db2.gz BSKVLVNHEIYREX-MRXNPFEDSA-N 2 2 388.512 0.721 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351197 1192202319 /nfs/dbraw/zinc/20/23/19/1192202319.db2.gz MEFYTEGWDUMUNC-RFUYNDQBSA-N 2 2 392.525 0.672 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351197 1192202322 /nfs/dbraw/zinc/20/23/22/1192202322.db2.gz MEFYTEGWDUMUNC-RFUYNDQBSA-N 2 2 392.525 0.672 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351198 1192202406 /nfs/dbraw/zinc/20/24/06/1192202406.db2.gz MEFYTEGWDUMUNC-WTANOLMUSA-N 2 2 392.525 0.672 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351198 1192202408 /nfs/dbraw/zinc/20/24/08/1192202408.db2.gz MEFYTEGWDUMUNC-WTANOLMUSA-N 2 2 392.525 0.672 20 0 GCADLP Cc1nnc2n1C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000613862230 1192210040 /nfs/dbraw/zinc/21/00/40/1192210040.db2.gz OPQIHEUVFAICOA-AEFFLSMTSA-N 2 2 389.548 0.959 20 0 GCADLP Cc1nnc2n1C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000613862230 1192210042 /nfs/dbraw/zinc/21/00/42/1192210042.db2.gz OPQIHEUVFAICOA-AEFFLSMTSA-N 2 2 389.548 0.959 20 0 GCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652432953 1192221428 /nfs/dbraw/zinc/22/14/28/1192221428.db2.gz JESNSTGVXUOCTC-LJQANCHMSA-N 3 2 393.576 0.558 20 0 GCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652432953 1192221430 /nfs/dbraw/zinc/22/14/30/1192221430.db2.gz JESNSTGVXUOCTC-LJQANCHMSA-N 3 2 393.576 0.558 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H](CC)CO1 ZINC000652513592 1192235148 /nfs/dbraw/zinc/23/51/48/1192235148.db2.gz DUWWWYGVGZHSON-FUHWJXTLSA-N 2 2 382.549 0.887 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H](CC)CO1 ZINC000652513592 1192235152 /nfs/dbraw/zinc/23/51/52/1192235152.db2.gz DUWWWYGVGZHSON-FUHWJXTLSA-N 2 2 382.549 0.887 20 0 GCADLP O=C(CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662154437 1192247547 /nfs/dbraw/zinc/24/75/47/1192247547.db2.gz FDUFBAPFBVCPQO-SFHVURJKSA-N 2 2 392.569 0.923 20 0 GCADLP O=C(CN1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662154437 1192247550 /nfs/dbraw/zinc/24/75/50/1192247550.db2.gz FDUFBAPFBVCPQO-SFHVURJKSA-N 2 2 392.569 0.923 20 0 GCADLP Cc1ncc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000636707041 1192274145 /nfs/dbraw/zinc/27/41/45/1192274145.db2.gz IYICUOBIUPSUMB-JSGCOSHPSA-N 2 2 379.530 0.913 20 0 GCADLP Cc1ncc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000636707041 1192274149 /nfs/dbraw/zinc/27/41/49/1192274149.db2.gz IYICUOBIUPSUMB-JSGCOSHPSA-N 2 2 379.530 0.913 20 0 GCADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000663303436 1192275858 /nfs/dbraw/zinc/27/58/58/1192275858.db2.gz GELVUMAYRONXMY-AEFFLSMTSA-N 2 2 388.516 0.357 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000662286813 1192276787 /nfs/dbraw/zinc/27/67/87/1192276787.db2.gz MIROQWPSJZZIII-UHFFFAOYSA-N 2 2 375.391 0.948 20 0 GCADLP C[C@H](NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)C(=O)N(C)C ZINC000662328822 1192285661 /nfs/dbraw/zinc/28/56/61/1192285661.db2.gz VKKYZUBUNWTJMQ-AWEZNQCLSA-N 2 2 390.532 0.649 20 0 GCADLP C[C@H](NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C(=O)N(C)C ZINC000662328822 1192285666 /nfs/dbraw/zinc/28/56/66/1192285666.db2.gz VKKYZUBUNWTJMQ-AWEZNQCLSA-N 2 2 390.532 0.649 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662365478 1192286432 /nfs/dbraw/zinc/28/64/32/1192286432.db2.gz SUBOEXAAKGUJBJ-LBPRGKRZSA-N 2 2 381.444 0.126 20 0 GCADLP O=C(CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662703820 1192330008 /nfs/dbraw/zinc/33/00/08/1192330008.db2.gz OCUWHHWWKRYJAC-QGZVFWFLSA-N 2 2 399.417 0.779 20 0 GCADLP CN(C(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626261578 1192332520 /nfs/dbraw/zinc/33/25/20/1192332520.db2.gz BLYMYTCVQZFUOY-DLBZAZTESA-N 2 2 393.532 0.676 20 0 GCADLP CN(C(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626261578 1192332524 /nfs/dbraw/zinc/33/25/24/1192332524.db2.gz BLYMYTCVQZFUOY-DLBZAZTESA-N 2 2 393.532 0.676 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)Nc1cnc(N[C@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000663571642 1192395966 /nfs/dbraw/zinc/39/59/66/1192395966.db2.gz IOTNBEIIRJIRBD-QZTJIDSGSA-N 2 2 390.580 0.572 20 0 GCADLP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000279085185 1192461026 /nfs/dbraw/zinc/46/10/26/1192461026.db2.gz VPPGLOUEFNLVKT-DLBZAZTESA-N 2 2 399.495 0.684 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000637468008 1192576401 /nfs/dbraw/zinc/57/64/01/1192576401.db2.gz ITHFMZXBEKIVGM-FXAWDEMLSA-N 2 2 380.533 0.918 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000637468008 1192576403 /nfs/dbraw/zinc/57/64/03/1192576403.db2.gz ITHFMZXBEKIVGM-FXAWDEMLSA-N 2 2 380.533 0.918 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637468008 1192576405 /nfs/dbraw/zinc/57/64/05/1192576405.db2.gz ITHFMZXBEKIVGM-FXAWDEMLSA-N 2 2 380.533 0.918 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637468008 1192576408 /nfs/dbraw/zinc/57/64/08/1192576408.db2.gz ITHFMZXBEKIVGM-FXAWDEMLSA-N 2 2 380.533 0.918 20 0 GCADLP Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)[nH+]c12 ZINC000154250754 1192590692 /nfs/dbraw/zinc/59/06/92/1192590692.db2.gz QTOPVAUAAJEKJT-UHFFFAOYSA-N 2 2 383.456 0.698 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418774334 1192641818 /nfs/dbraw/zinc/64/18/18/1192641818.db2.gz VDZDSBJNHTZGJT-IEBWSBKVSA-N 2 2 376.501 0.907 20 0 GCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418822108 1192655949 /nfs/dbraw/zinc/65/59/49/1192655949.db2.gz ADQRZPBGYMEXPK-RTBURBONSA-N 2 2 388.512 0.591 20 0 GCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418822108 1192655951 /nfs/dbraw/zinc/65/59/51/1192655951.db2.gz ADQRZPBGYMEXPK-RTBURBONSA-N 2 2 388.512 0.591 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418823700 1192656296 /nfs/dbraw/zinc/65/62/96/1192656296.db2.gz CGYDRQNFSUDQIJ-WDSOQIARSA-N 2 2 388.512 0.589 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418823700 1192656298 /nfs/dbraw/zinc/65/62/98/1192656298.db2.gz CGYDRQNFSUDQIJ-WDSOQIARSA-N 2 2 388.512 0.589 20 0 GCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833889 1192660212 /nfs/dbraw/zinc/66/02/12/1192660212.db2.gz OAJJUKZBDAZSEW-LJQANCHMSA-N 2 2 386.496 0.430 20 0 GCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833889 1192660213 /nfs/dbraw/zinc/66/02/13/1192660213.db2.gz OAJJUKZBDAZSEW-LJQANCHMSA-N 2 2 386.496 0.430 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418834996 1192660802 /nfs/dbraw/zinc/66/08/02/1192660802.db2.gz PEMXXUUDLUKKTN-FHWLQOOXSA-N 2 2 388.512 0.637 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418834996 1192660804 /nfs/dbraw/zinc/66/08/04/1192660804.db2.gz PEMXXUUDLUKKTN-FHWLQOOXSA-N 2 2 388.512 0.637 20 0 GCADLP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000418835970 1192661440 /nfs/dbraw/zinc/66/14/40/1192661440.db2.gz QOPDIYSEFHPMQV-RBUKOAKNSA-N 2 2 388.512 0.637 20 0 GCADLP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000418835970 1192661443 /nfs/dbraw/zinc/66/14/43/1192661443.db2.gz QOPDIYSEFHPMQV-RBUKOAKNSA-N 2 2 388.512 0.637 20 0 GCADLP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)cs1 ZINC000418854709 1192667504 /nfs/dbraw/zinc/66/75/04/1192667504.db2.gz LIBMJFUJDDTOER-AWEZNQCLSA-N 2 2 393.557 0.854 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1Cl ZINC000418872690 1192673589 /nfs/dbraw/zinc/67/35/89/1192673589.db2.gz GSKGXJHLZIHWBG-BBRMVZONSA-N 2 2 382.892 0.554 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000418882183 1192677738 /nfs/dbraw/zinc/67/77/38/1192677738.db2.gz YJSJGEUGVOFSQR-CJNGLKHVSA-N 2 2 382.892 0.635 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000418882192 1192678933 /nfs/dbraw/zinc/67/89/33/1192678933.db2.gz YJSJGEUGVOFSQR-XJKSGUPXSA-N 2 2 382.892 0.635 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418910681 1192687725 /nfs/dbraw/zinc/68/77/25/1192687725.db2.gz KLGMWSKEVQCHAK-SFHVURJKSA-N 2 2 376.501 0.769 20 0 GCADLP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000418916011 1192688324 /nfs/dbraw/zinc/68/83/24/1192688324.db2.gz QWZYZKSUAOYJRF-VQIMIIECSA-N 2 2 388.512 0.721 20 0 GCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418916754 1192688846 /nfs/dbraw/zinc/68/88/46/1192688846.db2.gz SIUZKSJBMSALCA-OAQYLSRUSA-N 2 2 386.496 0.347 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418918034 1192689458 /nfs/dbraw/zinc/68/94/58/1192689458.db2.gz VALBITBGERQZTO-LPHOPBHVSA-N 2 2 388.512 0.769 20 0 GCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)cc(OC)c1 ZINC000418965415 1192703738 /nfs/dbraw/zinc/70/37/38/1192703738.db2.gz OWJRUPNCBPPWFI-GDBMZVCRSA-N 2 2 390.484 0.215 20 0 GCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)cc(OC)c1 ZINC000418965415 1192703743 /nfs/dbraw/zinc/70/37/43/1192703743.db2.gz OWJRUPNCBPPWFI-GDBMZVCRSA-N 2 2 390.484 0.215 20 0 GCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)cc(OC)c1 ZINC000418965418 1192703903 /nfs/dbraw/zinc/70/39/03/1192703903.db2.gz OWJRUPNCBPPWFI-GOEBONIOSA-N 2 2 390.484 0.215 20 0 GCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)cc(OC)c1 ZINC000418965418 1192703907 /nfs/dbraw/zinc/70/39/07/1192703907.db2.gz OWJRUPNCBPPWFI-GOEBONIOSA-N 2 2 390.484 0.215 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H](C[NH3+])C1 ZINC000419029766 1192730009 /nfs/dbraw/zinc/73/00/09/1192730009.db2.gz SBQOHYXUOUUHEX-LSDHHAIUSA-N 2 2 389.431 0.592 20 0 GCADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C(=O)NCCCNc3cccc[nH+]3)C2)C1 ZINC000652688240 1192766895 /nfs/dbraw/zinc/76/68/95/1192766895.db2.gz YOZRJKXKSMJRCQ-BRWVUGGUSA-N 2 2 389.500 0.745 20 0 GCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])c2)CCO1 ZINC000419077122 1192770590 /nfs/dbraw/zinc/77/05/90/1192770590.db2.gz QPHHKZIIBCSSAD-CYBMUJFWSA-N 2 2 384.427 0.234 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])c2)CCO1 ZINC000419077122 1192770599 /nfs/dbraw/zinc/77/05/99/1192770599.db2.gz QPHHKZIIBCSSAD-CYBMUJFWSA-N 2 2 384.427 0.234 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419103243 1192791687 /nfs/dbraw/zinc/79/16/87/1192791687.db2.gz JOIGWAXADZPNOR-OAHLLOKOSA-N 2 2 395.935 0.550 20 0 GCADLP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419101577 1192786264 /nfs/dbraw/zinc/78/62/64/1192786264.db2.gz HWPPLEFHWDRTDU-AWEZNQCLSA-N 2 2 381.908 0.289 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419107502 1192788706 /nfs/dbraw/zinc/78/87/06/1192788706.db2.gz PHJBVMSKBPZSHW-UHFFFAOYSA-N 2 2 381.908 0.304 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCOCC1 ZINC000419109675 1192790954 /nfs/dbraw/zinc/79/09/54/1192790954.db2.gz BEOWMGSKIUMRGY-SFHVURJKSA-N 2 2 380.533 0.450 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000419111538 1192790982 /nfs/dbraw/zinc/79/09/82/1192790982.db2.gz DKWCTLSKSVVEAQ-MHORFTMASA-N 2 2 380.533 0.435 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000419120654 1192794763 /nfs/dbraw/zinc/79/47/63/1192794763.db2.gz QZWDBPLVEIHINK-DZGCQCFKSA-N 2 2 375.473 0.527 20 0 GCADLP CCC[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000500804758 1192794813 /nfs/dbraw/zinc/79/48/13/1192794813.db2.gz KWLXLCGXRXRXDH-QGZVFWFLSA-N 2 2 383.537 0.293 20 0 GCADLP CCC[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000500804758 1192794820 /nfs/dbraw/zinc/79/48/20/1192794820.db2.gz KWLXLCGXRXRXDH-QGZVFWFLSA-N 2 2 383.537 0.293 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419123389 1192795389 /nfs/dbraw/zinc/79/53/89/1192795389.db2.gz VTNCQQBXVJRFSK-QYZOEREBSA-N 2 2 394.560 0.840 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000419122699 1192795677 /nfs/dbraw/zinc/79/56/77/1192795677.db2.gz UEBRNAJAFWVLAB-SFHVURJKSA-N 2 2 394.560 0.842 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419112281 1192798911 /nfs/dbraw/zinc/79/89/11/1192798911.db2.gz VAUOQRSIWPCVOJ-UHFFFAOYSA-N 2 2 381.908 0.304 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000419111637 1192799536 /nfs/dbraw/zinc/79/95/36/1192799536.db2.gz UESBAUNYACVOAN-HNNXBMFYSA-N 2 2 393.919 0.399 20 0 GCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000419112760 1192799702 /nfs/dbraw/zinc/79/97/02/1192799702.db2.gz VNMFZNDEMLUBCP-QGZVFWFLSA-N 2 2 393.919 0.432 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000419114760 1192801068 /nfs/dbraw/zinc/80/10/68/1192801068.db2.gz MZBWTTKNNJHEOT-HNNXBMFYSA-N 2 2 387.484 0.026 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419136711 1192809951 /nfs/dbraw/zinc/80/99/51/1192809951.db2.gz PMJRAXILJZEHCG-IRXDYDNUSA-N 2 2 388.516 0.048 20 0 GCADLP C[NH+]1CCC(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1 ZINC000894018161 1192891454 /nfs/dbraw/zinc/89/14/54/1192891454.db2.gz NKBPVJGNLWASGP-GOSISDBHSA-N 3 2 388.560 0.765 20 0 GCADLP C[NH+]1CCC(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1 ZINC000894018162 1192891700 /nfs/dbraw/zinc/89/17/00/1192891700.db2.gz NKBPVJGNLWASGP-SFHVURJKSA-N 3 2 388.560 0.765 20 0 GCADLP Cc1nnc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)s1 ZINC000894018200 1192891779 /nfs/dbraw/zinc/89/17/79/1192891779.db2.gz OJMLYLZQOIVVML-AWEZNQCLSA-N 2 2 389.529 0.783 20 0 GCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000410887559 1192913646 /nfs/dbraw/zinc/91/36/46/1192913646.db2.gz RIKDPAIVTZWYCL-KRWDZBQOSA-N 2 2 379.505 0.691 20 0 GCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000410887559 1192913648 /nfs/dbraw/zinc/91/36/48/1192913648.db2.gz RIKDPAIVTZWYCL-KRWDZBQOSA-N 2 2 379.505 0.691 20 0 GCADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000245941876 1192914031 /nfs/dbraw/zinc/91/40/31/1192914031.db2.gz VAMGUPHNRIBRSB-IEBWSBKVSA-N 2 2 378.517 0.841 20 0 GCADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000245941876 1192914033 /nfs/dbraw/zinc/91/40/33/1192914033.db2.gz VAMGUPHNRIBRSB-IEBWSBKVSA-N 2 2 378.517 0.841 20 0 GCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000246008337 1192914602 /nfs/dbraw/zinc/91/46/02/1192914602.db2.gz SQPZVVBATJNFCF-MPGHIAIKSA-N 2 2 376.505 0.772 20 0 GCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000246008337 1192914604 /nfs/dbraw/zinc/91/46/04/1192914604.db2.gz SQPZVVBATJNFCF-MPGHIAIKSA-N 2 2 376.505 0.772 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)C[C@H](C)O1 ZINC000419217290 1192915533 /nfs/dbraw/zinc/91/55/33/1192915533.db2.gz QIIYTVCHGFEHGM-OKILXGFUSA-N 2 2 398.454 0.622 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)C[C@H](C)O1 ZINC000419217290 1192915535 /nfs/dbraw/zinc/91/55/35/1192915535.db2.gz QIIYTVCHGFEHGM-OKILXGFUSA-N 2 2 398.454 0.622 20 0 GCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246402824 1192924389 /nfs/dbraw/zinc/92/43/89/1192924389.db2.gz QUJNFDRGFXCZBZ-HOCLYGCPSA-N 2 2 382.530 0.265 20 0 GCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246402824 1192924391 /nfs/dbraw/zinc/92/43/91/1192924391.db2.gz QUJNFDRGFXCZBZ-HOCLYGCPSA-N 2 2 382.530 0.265 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)CC1 ZINC000683083783 1184098914 /nfs/dbraw/zinc/09/89/14/1184098914.db2.gz XOXFCGDUQTZQKD-GFCCVEGCSA-N 2 2 377.411 0.529 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)CC1 ZINC000683083783 1184098922 /nfs/dbraw/zinc/09/89/22/1184098922.db2.gz XOXFCGDUQTZQKD-GFCCVEGCSA-N 2 2 377.411 0.529 20 0 GCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000579749241 1184129323 /nfs/dbraw/zinc/12/93/23/1184129323.db2.gz NHPVYIYWKLRENX-QZTJIDSGSA-N 2 2 392.544 0.833 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688738 1184186140 /nfs/dbraw/zinc/18/61/40/1184186140.db2.gz ZKETVMLRGCYSIK-WMZOPIPTSA-N 2 2 396.557 0.667 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688738 1184186144 /nfs/dbraw/zinc/18/61/44/1184186144.db2.gz ZKETVMLRGCYSIK-WMZOPIPTSA-N 2 2 396.557 0.667 20 0 GCADLP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000418579201 1184228233 /nfs/dbraw/zinc/22/82/33/1184228233.db2.gz JTBOBOZRCJHHED-HOTGVXAUSA-N 2 2 389.504 0.415 20 0 GCADLP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000418579201 1184228239 /nfs/dbraw/zinc/22/82/39/1184228239.db2.gz JTBOBOZRCJHHED-HOTGVXAUSA-N 2 2 389.504 0.415 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(Cc4nc[nH]n4)CC3)CC2)CC1 ZINC000655163664 1184317215 /nfs/dbraw/zinc/31/72/15/1184317215.db2.gz CITBJZJFGZAPHE-UHFFFAOYSA-N 2 2 389.548 0.645 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(Cc4nnc[nH]4)CC3)CC2)CC1 ZINC000655163664 1184317222 /nfs/dbraw/zinc/31/72/22/1184317222.db2.gz CITBJZJFGZAPHE-UHFFFAOYSA-N 2 2 389.548 0.645 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC(CC[NH3+])CC3)c2)CC1 ZINC000579848043 1184322508 /nfs/dbraw/zinc/32/25/08/1184322508.db2.gz KXJLIEUNWJQZDS-UHFFFAOYSA-N 2 2 387.528 0.960 20 0 GCADLP CN1CCN(c2cc(NCc3ccnc(OCC[NH+](C)C)c3)[nH+]cn2)CC1=O ZINC000274943101 1184437407 /nfs/dbraw/zinc/43/74/07/1184437407.db2.gz TYYGWJJZLBBCTR-UHFFFAOYSA-N 2 2 385.472 0.703 20 0 GCADLP CN1CCN(c2cc(NCc3ccnc(OCC[NH+](C)C)c3)nc[nH+]2)CC1=O ZINC000274943101 1184437414 /nfs/dbraw/zinc/43/74/14/1184437414.db2.gz TYYGWJJZLBBCTR-UHFFFAOYSA-N 2 2 385.472 0.703 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000275089127 1184503520 /nfs/dbraw/zinc/50/35/20/1184503520.db2.gz HJTZXIKUGNKQNB-YJBOKZPZSA-N 2 2 389.500 0.667 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000275089127 1184503524 /nfs/dbraw/zinc/50/35/24/1184503524.db2.gz HJTZXIKUGNKQNB-YJBOKZPZSA-N 2 2 389.500 0.667 20 0 GCADLP NC(=O)[C@H]1CCCN1c1cc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH+]cn1 ZINC001167208366 1184636671 /nfs/dbraw/zinc/63/66/71/1184636671.db2.gz YHWMNURNQCCFFC-LZJOCLMNSA-N 2 2 378.480 0.908 20 0 GCADLP NC(=O)[C@H]1CCCN1c1cc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc[nH+]1 ZINC001167208366 1184636677 /nfs/dbraw/zinc/63/66/77/1184636677.db2.gz YHWMNURNQCCFFC-LZJOCLMNSA-N 2 2 378.480 0.908 20 0 GCADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236979320 1184669206 /nfs/dbraw/zinc/66/92/06/1184669206.db2.gz BUFDBKFPUKFNBS-OAHLLOKOSA-N 2 2 391.491 0.577 20 0 GCADLP NC(=O)[C@]1([NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCOC1 ZINC000653841878 1184670138 /nfs/dbraw/zinc/67/01/38/1184670138.db2.gz OWJAXZHEQJQYLQ-LPHOPBHVSA-N 2 2 394.903 0.827 20 0 GCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000430407281 1184675359 /nfs/dbraw/zinc/67/53/59/1184675359.db2.gz IGXWFYRMIBUCQZ-GHTZIAJQSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000430407281 1184675363 /nfs/dbraw/zinc/67/53/63/1184675363.db2.gz IGXWFYRMIBUCQZ-GHTZIAJQSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000430407281 1184675367 /nfs/dbraw/zinc/67/53/67/1184675367.db2.gz IGXWFYRMIBUCQZ-GHTZIAJQSA-N 2 2 390.528 0.986 20 0 GCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000430407281 1184675369 /nfs/dbraw/zinc/67/53/69/1184675369.db2.gz IGXWFYRMIBUCQZ-GHTZIAJQSA-N 2 2 390.528 0.986 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237816570 1184734198 /nfs/dbraw/zinc/73/41/98/1184734198.db2.gz JVRFLIVAKKCKHI-QGZVFWFLSA-N 2 2 377.452 0.726 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C[C@H]2CO)cn1 ZINC000683558541 1184771474 /nfs/dbraw/zinc/77/14/74/1184771474.db2.gz GBPLBIOTCKKGQC-LNLFQRSKSA-N 2 2 390.532 0.306 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C[C@H]2CO)cn1 ZINC000683558541 1184771480 /nfs/dbraw/zinc/77/14/80/1184771480.db2.gz GBPLBIOTCKKGQC-LNLFQRSKSA-N 2 2 390.532 0.306 20 0 GCADLP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000579954447 1184823370 /nfs/dbraw/zinc/82/33/70/1184823370.db2.gz YQBGOLXCERZMRM-SFHVURJKSA-N 3 2 391.560 0.073 20 0 GCADLP O=C(C[N@@H+](CCO)C1CCOCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000275615710 1184824034 /nfs/dbraw/zinc/82/40/34/1184824034.db2.gz SZVSLSLZYMTCDO-UHFFFAOYSA-N 2 2 377.485 0.931 20 0 GCADLP O=C(C[N@H+](CCO)C1CCOCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000275615710 1184824041 /nfs/dbraw/zinc/82/40/41/1184824041.db2.gz SZVSLSLZYMTCDO-UHFFFAOYSA-N 2 2 377.485 0.931 20 0 GCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000579988349 1184890800 /nfs/dbraw/zinc/89/08/00/1184890800.db2.gz ADTYPLQXMFBSQE-FUHWJXTLSA-N 2 2 380.533 0.356 20 0 GCADLP CN(C)c1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000275668325 1184903491 /nfs/dbraw/zinc/90/34/91/1184903491.db2.gz JBHFLPQHBAASPM-UHFFFAOYSA-N 2 2 376.505 0.571 20 0 GCADLP CN(C)c1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000275668325 1184903494 /nfs/dbraw/zinc/90/34/94/1184903494.db2.gz JBHFLPQHBAASPM-UHFFFAOYSA-N 2 2 376.505 0.571 20 0 GCADLP CCOC1CC(CNC(=O)NCC[NH+]2CCC(OC)CC2)([NH+]2CCOCC2)C1 ZINC000683720610 1184930789 /nfs/dbraw/zinc/93/07/89/1184930789.db2.gz XQVNJMRYVSEMNJ-UHFFFAOYSA-N 2 2 398.548 0.666 20 0 GCADLP Cc1cc(O)cc(=O)n1CCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000275685435 1184931568 /nfs/dbraw/zinc/93/15/68/1184931568.db2.gz HNYNNAGILMHLDJ-UHFFFAOYSA-N 2 2 376.501 0.927 20 0 GCADLP CC(C)Cn1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000275690518 1184933927 /nfs/dbraw/zinc/93/39/27/1184933927.db2.gz MMWFZMPGUZKKQC-UHFFFAOYSA-N 2 2 378.521 0.962 20 0 GCADLP CC(C)Cn1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000275690518 1184933931 /nfs/dbraw/zinc/93/39/31/1184933931.db2.gz MMWFZMPGUZKKQC-UHFFFAOYSA-N 2 2 378.521 0.962 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000275721052 1184975507 /nfs/dbraw/zinc/97/55/07/1184975507.db2.gz RVNBHDZBXJMJET-MRXNPFEDSA-N 2 2 389.500 0.965 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000275721052 1184975511 /nfs/dbraw/zinc/97/55/11/1184975511.db2.gz RVNBHDZBXJMJET-MRXNPFEDSA-N 2 2 389.500 0.965 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000275743284 1184996803 /nfs/dbraw/zinc/99/68/03/1184996803.db2.gz WZDSHAOOLUUIOW-UHFFFAOYSA-N 2 2 390.484 0.881 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000275743284 1184996808 /nfs/dbraw/zinc/99/68/08/1184996808.db2.gz WZDSHAOOLUUIOW-UHFFFAOYSA-N 2 2 390.484 0.881 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000580079661 1185053894 /nfs/dbraw/zinc/05/38/94/1185053894.db2.gz YPEMKYNWIGMAER-PKOBYXMFSA-N 2 2 388.512 0.604 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C[C@H]2[NH3+])cn1 ZINC000580435360 1185230869 /nfs/dbraw/zinc/23/08/69/1185230869.db2.gz WLEHIQQLXZSPIZ-JZXOWHBKSA-N 2 2 394.545 0.064 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000275899017 1185253554 /nfs/dbraw/zinc/25/35/54/1185253554.db2.gz IYHQHPGLSLTCIW-UHFFFAOYSA-N 2 2 375.473 0.718 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000275899017 1185253560 /nfs/dbraw/zinc/25/35/60/1185253560.db2.gz IYHQHPGLSLTCIW-UHFFFAOYSA-N 2 2 375.473 0.718 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656283461 1185318148 /nfs/dbraw/zinc/31/81/48/1185318148.db2.gz APDQLPPAFOXVSB-ZACQAIPSSA-N 2 2 382.549 0.981 20 0 GCADLP C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656283461 1185318157 /nfs/dbraw/zinc/31/81/57/1185318157.db2.gz APDQLPPAFOXVSB-ZACQAIPSSA-N 2 2 382.549 0.981 20 0 GCADLP C[NH+](C)CCOc1cc(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)ccn1 ZINC000413403981 1185359896 /nfs/dbraw/zinc/35/98/96/1185359896.db2.gz CYAGBGRVYPYOLN-UHFFFAOYSA-N 2 2 379.505 0.932 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000656304619 1185378712 /nfs/dbraw/zinc/37/87/12/1185378712.db2.gz CWQBDNPFXIATTO-XDNAFOTISA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000656304619 1185378714 /nfs/dbraw/zinc/37/87/14/1185378714.db2.gz CWQBDNPFXIATTO-XDNAFOTISA-N 2 2 382.549 0.837 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314640 1185396886 /nfs/dbraw/zinc/39/68/86/1185396886.db2.gz ADDRAEUOHGRXHH-ZJPYXAASSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314640 1185396890 /nfs/dbraw/zinc/39/68/90/1185396890.db2.gz ADDRAEUOHGRXHH-ZJPYXAASSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314640 1185396894 /nfs/dbraw/zinc/39/68/94/1185396894.db2.gz ADDRAEUOHGRXHH-ZJPYXAASSA-N 2 2 382.549 0.981 20 0 GCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314640 1185396902 /nfs/dbraw/zinc/39/69/02/1185396902.db2.gz ADDRAEUOHGRXHH-ZJPYXAASSA-N 2 2 382.549 0.981 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337539 1185434302 /nfs/dbraw/zinc/43/43/02/1185434302.db2.gz UNMGXNQVTGSWPL-WCXIOVBPSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337539 1185434309 /nfs/dbraw/zinc/43/43/09/1185434309.db2.gz UNMGXNQVTGSWPL-WCXIOVBPSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337539 1185434312 /nfs/dbraw/zinc/43/43/12/1185434312.db2.gz UNMGXNQVTGSWPL-WCXIOVBPSA-N 2 2 382.549 0.837 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419396041 1185502025 /nfs/dbraw/zinc/50/20/25/1185502025.db2.gz VJANOFBIHWHETJ-HZPDHXFCSA-N 2 2 382.892 0.506 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419396041 1185502028 /nfs/dbraw/zinc/50/20/28/1185502028.db2.gz VJANOFBIHWHETJ-HZPDHXFCSA-N 2 2 382.892 0.506 20 0 GCADLP C[C@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCOCC1 ZINC000156091646 1185560725 /nfs/dbraw/zinc/56/07/25/1185560725.db2.gz IWBGWCPATKONHQ-QGZVFWFLSA-N 2 2 390.532 0.601 20 0 GCADLP C[C@@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCOCC1 ZINC000156091533 1185561034 /nfs/dbraw/zinc/56/10/34/1185561034.db2.gz IWBGWCPATKONHQ-KRWDZBQOSA-N 2 2 390.532 0.601 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001104346921 1185620171 /nfs/dbraw/zinc/62/01/71/1185620171.db2.gz KYBBJYIRLLRMSJ-MUIFIZLQSA-N 2 2 390.532 0.975 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000581383981 1185630687 /nfs/dbraw/zinc/63/06/87/1185630687.db2.gz FHDKAEYLHUAQQI-UHFFFAOYSA-N 2 2 399.495 0.775 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000581421128 1185669929 /nfs/dbraw/zinc/66/99/29/1185669929.db2.gz PKXPVQGHAIBUPH-UHFFFAOYSA-N 3 2 386.500 0.440 20 0 GCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891421357 1185733261 /nfs/dbraw/zinc/73/32/61/1185733261.db2.gz MOYFTJWJPNVUDH-NXHRZFHOSA-N 2 2 396.451 0.949 20 0 GCADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000074319561 1185767467 /nfs/dbraw/zinc/76/74/67/1185767467.db2.gz ODKBXNXAXZNWFC-UHFFFAOYSA-N 2 2 379.505 0.293 20 0 GCADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000074319561 1185767473 /nfs/dbraw/zinc/76/74/73/1185767473.db2.gz ODKBXNXAXZNWFC-UHFFFAOYSA-N 2 2 379.505 0.293 20 0 GCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)C2)CC1 ZINC000581626128 1185792142 /nfs/dbraw/zinc/79/21/42/1185792142.db2.gz WKAIJVBVEKYZHJ-GOSISDBHSA-N 2 2 398.511 0.577 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022038008 1185798809 /nfs/dbraw/zinc/79/88/09/1185798809.db2.gz HFNSYBHPDADKBH-DODZYUBVSA-N 2 2 385.512 0.925 20 0 GCADLP C[NH2+][C@@H]1CCN(CC(=O)N2CC[NH+](Cc3cc(OC)c(OC)cc3C)CC2)C1 ZINC000430641387 1185850485 /nfs/dbraw/zinc/85/04/85/1185850485.db2.gz SOXQWLSPIOILDR-GOSISDBHSA-N 2 2 390.528 0.950 20 0 GCADLP CC(C)(CNC(=O)C[NH2+][C@](C)(CO)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000933442009 1185894690 /nfs/dbraw/zinc/89/46/90/1185894690.db2.gz QUBIOJZALRHUNT-FQEVSTJZSA-N 2 2 381.492 0.936 20 0 GCADLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000891529242 1185906178 /nfs/dbraw/zinc/90/61/78/1185906178.db2.gz VONNPHYMWVCBST-LPHOPBHVSA-N 2 2 375.517 0.987 20 0 GCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891545691 1185913285 /nfs/dbraw/zinc/91/32/85/1185913285.db2.gz FBYMRKHDSLSMOF-JYJNAYRXSA-N 2 2 387.488 0.038 20 0 GCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891545691 1185913286 /nfs/dbraw/zinc/91/32/86/1185913286.db2.gz FBYMRKHDSLSMOF-JYJNAYRXSA-N 2 2 387.488 0.038 20 0 GCADLP C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000548275344 1185928084 /nfs/dbraw/zinc/92/80/84/1185928084.db2.gz WMUZSHIEWJBXFV-INIZCTEOSA-N 2 2 394.541 0.993 20 0 GCADLP C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000548275344 1185928089 /nfs/dbraw/zinc/92/80/89/1185928089.db2.gz WMUZSHIEWJBXFV-INIZCTEOSA-N 2 2 394.541 0.993 20 0 GCADLP CN(C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000430796040 1186031250 /nfs/dbraw/zinc/03/12/50/1186031250.db2.gz JCXDOJFIMMKLTK-QGZVFWFLSA-N 2 2 387.484 0.223 20 0 GCADLP CN(C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000430796040 1186031256 /nfs/dbraw/zinc/03/12/56/1186031256.db2.gz JCXDOJFIMMKLTK-QGZVFWFLSA-N 2 2 387.484 0.223 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN(C)[C@H](C)C[NH3+])CC2)cc1OC ZINC000430927558 1186054059 /nfs/dbraw/zinc/05/40/59/1186054059.db2.gz ITIBSZQOZWLEQP-MRXNPFEDSA-N 2 2 378.517 0.935 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430929325 1186054761 /nfs/dbraw/zinc/05/47/61/1186054761.db2.gz OVJWQJMCACXNIR-NVXWUHKLSA-N 2 2 380.514 0.189 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430929325 1186054766 /nfs/dbraw/zinc/05/47/66/1186054766.db2.gz OVJWQJMCACXNIR-NVXWUHKLSA-N 2 2 380.514 0.189 20 0 GCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430949354 1186064188 /nfs/dbraw/zinc/06/41/88/1186064188.db2.gz CJPXJXUNIGRUSC-INIZCTEOSA-N 2 2 380.514 0.061 20 0 GCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430949354 1186064196 /nfs/dbraw/zinc/06/41/96/1186064196.db2.gz CJPXJXUNIGRUSC-INIZCTEOSA-N 2 2 380.514 0.061 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000933843110 1186107965 /nfs/dbraw/zinc/10/79/65/1186107965.db2.gz WFWGXMBEOSRMCK-UZLBHIALSA-N 2 2 381.517 0.709 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000933843110 1186107969 /nfs/dbraw/zinc/10/79/69/1186107969.db2.gz WFWGXMBEOSRMCK-UZLBHIALSA-N 2 2 381.517 0.709 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431044760 1186113363 /nfs/dbraw/zinc/11/33/63/1186113363.db2.gz XVSIZZWXTDDCFM-UHFFFAOYSA-N 3 2 398.515 0.087 20 0 GCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000684586213 1186200259 /nfs/dbraw/zinc/20/02/59/1186200259.db2.gz HGBLNRAHNUTKQF-IRXDYDNUSA-N 2 2 399.561 0.281 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458195514 1186213958 /nfs/dbraw/zinc/21/39/58/1186213958.db2.gz HMQBOVWAQMMPDY-IXDOHACOSA-N 2 2 381.521 0.092 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458195514 1186213963 /nfs/dbraw/zinc/21/39/63/1186213963.db2.gz HMQBOVWAQMMPDY-IXDOHACOSA-N 2 2 381.521 0.092 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458195514 1186213964 /nfs/dbraw/zinc/21/39/64/1186213964.db2.gz HMQBOVWAQMMPDY-IXDOHACOSA-N 2 2 381.521 0.092 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458195514 1186213969 /nfs/dbraw/zinc/21/39/69/1186213969.db2.gz HMQBOVWAQMMPDY-IXDOHACOSA-N 2 2 381.521 0.092 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCCN3CC[NH2+]CC3)C2)cc1 ZINC000891968926 1186260347 /nfs/dbraw/zinc/26/03/47/1186260347.db2.gz RHJPKQZEDSBZES-FQEVSTJZSA-N 2 2 389.544 0.790 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCCN3CC[NH2+]CC3)C2)cc1 ZINC000891968926 1186260351 /nfs/dbraw/zinc/26/03/51/1186260351.db2.gz RHJPKQZEDSBZES-FQEVSTJZSA-N 2 2 389.544 0.790 20 0 GCADLP CCn1cc(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000548692372 1186434513 /nfs/dbraw/zinc/43/45/13/1186434513.db2.gz ZOSDZXNSUYNLKO-UHFFFAOYSA-N 2 2 390.532 0.142 20 0 GCADLP O=C1C[C@@H]([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CN1CC[NH+]1CCOCC1 ZINC000657368485 1186468377 /nfs/dbraw/zinc/46/83/77/1186468377.db2.gz XMNGTRHWEQOBFE-QUCCMNQESA-N 2 2 389.496 0.877 20 0 GCADLP Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2)cc[nH+]1 ZINC000582252043 1186478387 /nfs/dbraw/zinc/47/83/87/1186478387.db2.gz SBTHYYOBKGHEJV-UHFFFAOYSA-N 2 2 398.510 0.453 20 0 GCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892258814 1186514725 /nfs/dbraw/zinc/51/47/25/1186514725.db2.gz KCPORYHHMJDMFD-ZHALLVOQSA-N 2 2 398.573 0.435 20 0 GCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892258814 1186514730 /nfs/dbraw/zinc/51/47/30/1186514730.db2.gz KCPORYHHMJDMFD-ZHALLVOQSA-N 2 2 398.573 0.435 20 0 GCADLP CCc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001709046930 1186522191 /nfs/dbraw/zinc/52/21/91/1186522191.db2.gz RFVQQJFKOJQGQB-QGZVFWFLSA-N 2 2 380.537 0.456 20 0 GCADLP CCc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001709046930 1186522195 /nfs/dbraw/zinc/52/21/95/1186522195.db2.gz RFVQQJFKOJQGQB-QGZVFWFLSA-N 2 2 380.537 0.456 20 0 GCADLP C[NH+]1CCC(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)(N2CCOCC2)CC1 ZINC000413483016 1186522997 /nfs/dbraw/zinc/52/29/97/1186522997.db2.gz QOXIAUOTJFTRNO-KRWDZBQOSA-N 2 2 390.532 0.646 20 0 GCADLP COCC1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000112353307 1186551482 /nfs/dbraw/zinc/55/14/82/1186551482.db2.gz OMZMNAUFMOXZIR-UHFFFAOYSA-N 2 2 387.488 0.370 20 0 GCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582545757 1186562610 /nfs/dbraw/zinc/56/26/10/1186562610.db2.gz FJMRSOIKWOABJS-RCCFBDPRSA-N 2 2 393.532 0.234 20 0 GCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582545757 1186562612 /nfs/dbraw/zinc/56/26/12/1186562612.db2.gz FJMRSOIKWOABJS-RCCFBDPRSA-N 2 2 393.532 0.234 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000472264242 1186688779 /nfs/dbraw/zinc/68/87/79/1186688779.db2.gz JXKLIEJHIWLKFV-INIZCTEOSA-N 2 2 398.529 0.705 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000472264242 1186688793 /nfs/dbraw/zinc/68/87/93/1186688793.db2.gz JXKLIEJHIWLKFV-INIZCTEOSA-N 2 2 398.529 0.705 20 0 GCADLP CN1CCN(c2cc(NCC(=O)NCC[NH+]3CCCCCC3)[nH+]cn2)CC1=O ZINC000431491555 1186700242 /nfs/dbraw/zinc/70/02/42/1186700242.db2.gz WIKGVMIIMOARBF-UHFFFAOYSA-N 2 2 389.504 0.159 20 0 GCADLP CN1CCN(c2cc(NCC(=O)NCC[NH+]3CCCCCC3)nc[nH+]2)CC1=O ZINC000431491555 1186700245 /nfs/dbraw/zinc/70/02/45/1186700245.db2.gz WIKGVMIIMOARBF-UHFFFAOYSA-N 2 2 389.504 0.159 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000582835277 1186706474 /nfs/dbraw/zinc/70/64/74/1186706474.db2.gz GEMBIWHDOZEONF-BZSNNMDCSA-N 2 2 395.935 0.915 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000582835277 1186706479 /nfs/dbraw/zinc/70/64/79/1186706479.db2.gz GEMBIWHDOZEONF-BZSNNMDCSA-N 2 2 395.935 0.915 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000561004110 1186744468 /nfs/dbraw/zinc/74/44/68/1186744468.db2.gz QBGUVCMWFQRCOG-BBRMVZONSA-N 2 2 390.488 0.704 20 0 GCADLP C[NH+]1CCN(c2ncc(C[NH2+]CCNS(=O)(=O)c3cccs3)cn2)CC1 ZINC000122225289 1186752492 /nfs/dbraw/zinc/75/24/92/1186752492.db2.gz HHQIVRHPFBHJIH-UHFFFAOYSA-N 2 2 396.542 0.358 20 0 GCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000685080607 1186773341 /nfs/dbraw/zinc/77/33/41/1186773341.db2.gz JRTJBQXMROIEEF-RTBURBONSA-N 2 2 394.560 0.794 20 0 GCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000685080607 1186773345 /nfs/dbraw/zinc/77/33/45/1186773345.db2.gz JRTJBQXMROIEEF-RTBURBONSA-N 2 2 394.560 0.794 20 0 GCADLP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583175243 1186787962 /nfs/dbraw/zinc/78/79/62/1186787962.db2.gz MLGRWTSVSRKTSW-UHFFFAOYSA-N 3 2 381.565 0.415 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000657745412 1186806028 /nfs/dbraw/zinc/80/60/28/1186806028.db2.gz PXBGZKOGPSZDEZ-ZWKOTPCHSA-N 2 2 378.517 0.396 20 0 GCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)C1 ZINC000657745175 1186808120 /nfs/dbraw/zinc/80/81/20/1186808120.db2.gz ORNHLZBNFMCHGT-PXNSSMCTSA-N 2 2 378.517 0.254 20 0 GCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)C1 ZINC000657745175 1186808124 /nfs/dbraw/zinc/80/81/24/1186808124.db2.gz ORNHLZBNFMCHGT-PXNSSMCTSA-N 2 2 378.517 0.254 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000657746818 1186814346 /nfs/dbraw/zinc/81/43/46/1186814346.db2.gz ZMAFPYQKDQQHIE-QZTJIDSGSA-N 2 2 378.517 0.254 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000657746820 1186814392 /nfs/dbraw/zinc/81/43/92/1186814392.db2.gz ZMAFPYQKDQQHIE-ZWKOTPCHSA-N 2 2 378.517 0.254 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000155667171 1186822188 /nfs/dbraw/zinc/82/21/88/1186822188.db2.gz ZFISQPJNEBTTTH-IBGZPJMESA-N 2 2 389.544 0.636 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000155667171 1186822194 /nfs/dbraw/zinc/82/21/94/1186822194.db2.gz ZFISQPJNEBTTTH-IBGZPJMESA-N 2 2 389.544 0.636 20 0 GCADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[NH2+]CC3([NH3+])CCC3)CC2)cc1 ZINC000583322690 1186824746 /nfs/dbraw/zinc/82/47/46/1186824746.db2.gz UAKBJPZSTYNUEC-INIZCTEOSA-N 2 2 394.541 0.687 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000536018314 1186850222 /nfs/dbraw/zinc/85/02/22/1186850222.db2.gz OUSQIOGXVMLEDW-GOSISDBHSA-N 2 2 387.532 0.868 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CCCCC1 ZINC000583430929 1186853130 /nfs/dbraw/zinc/85/31/30/1186853130.db2.gz IMJDKKDFKVGAGK-FGTMMUONSA-N 2 2 380.533 0.770 20 0 GCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)CC2)cc[nH+]1 ZINC000583494066 1186869278 /nfs/dbraw/zinc/86/92/78/1186869278.db2.gz IDZCTVFLYSLACS-QGZVFWFLSA-N 2 2 386.500 0.424 20 0 GCADLP C[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000329162348 1186869437 /nfs/dbraw/zinc/86/94/37/1186869437.db2.gz ZPGOABPLIIJHNO-INIZCTEOSA-N 2 2 376.505 0.141 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000583585753 1186892711 /nfs/dbraw/zinc/89/27/11/1186892711.db2.gz NWJMZONRJQNMQO-ZWKOTPCHSA-N 2 2 394.560 0.936 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000583585753 1186892717 /nfs/dbraw/zinc/89/27/17/1186892717.db2.gz NWJMZONRJQNMQO-ZWKOTPCHSA-N 2 2 394.560 0.936 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000583741498 1186929355 /nfs/dbraw/zinc/92/93/55/1186929355.db2.gz JWXUOYFLPKVTAY-CABCVRRESA-N 2 2 379.530 0.957 20 0 GCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)CCC[NH3+])c2)CC1 ZINC000583823712 1186946036 /nfs/dbraw/zinc/94/60/36/1186946036.db2.gz FMFJKPIIVNJPBI-UHFFFAOYSA-N 2 2 375.473 0.096 20 0 GCADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000247882905 1186971199 /nfs/dbraw/zinc/97/11/99/1186971199.db2.gz ZOHHMYFQHKNHSM-OLZOCXBDSA-N 2 2 388.472 0.333 20 0 GCADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000247882905 1186971201 /nfs/dbraw/zinc/97/12/01/1186971201.db2.gz ZOHHMYFQHKNHSM-OLZOCXBDSA-N 2 2 388.472 0.333 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000584073841 1186994069 /nfs/dbraw/zinc/99/40/69/1186994069.db2.gz QAUMFEKCHRMUHQ-IRXDYDNUSA-N 2 2 396.532 0.463 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000584073841 1186994072 /nfs/dbraw/zinc/99/40/72/1186994072.db2.gz QAUMFEKCHRMUHQ-IRXDYDNUSA-N 2 2 396.532 0.463 20 0 GCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000584351458 1187037264 /nfs/dbraw/zinc/03/72/64/1187037264.db2.gz JUCYXZIYHDRRIX-FHWLQOOXSA-N 2 2 397.541 0.044 20 0 GCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000584351458 1187037268 /nfs/dbraw/zinc/03/72/68/1187037268.db2.gz JUCYXZIYHDRRIX-FHWLQOOXSA-N 2 2 397.541 0.044 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000635552364 1187071548 /nfs/dbraw/zinc/07/15/48/1187071548.db2.gz UNPIWAYIOBLKGF-MRXNPFEDSA-N 2 2 394.541 0.787 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000635552364 1187071552 /nfs/dbraw/zinc/07/15/52/1187071552.db2.gz UNPIWAYIOBLKGF-MRXNPFEDSA-N 2 2 394.541 0.787 20 0 GCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000511262886 1187093473 /nfs/dbraw/zinc/09/34/73/1187093473.db2.gz WCCDXDFQIBAUBU-KRWDZBQOSA-N 2 2 386.504 0.963 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685339095 1187102943 /nfs/dbraw/zinc/10/29/43/1187102943.db2.gz HBQBYHPAEACSJR-HKUYNNGSSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685339095 1187102945 /nfs/dbraw/zinc/10/29/45/1187102945.db2.gz HBQBYHPAEACSJR-HKUYNNGSSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685339095 1187102947 /nfs/dbraw/zinc/10/29/47/1187102947.db2.gz HBQBYHPAEACSJR-HKUYNNGSSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339095 1187102949 /nfs/dbraw/zinc/10/29/49/1187102949.db2.gz HBQBYHPAEACSJR-HKUYNNGSSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685362017 1187116369 /nfs/dbraw/zinc/11/63/69/1187116369.db2.gz QIUORKPTWFWNTM-OKYOBFRVSA-N 2 2 392.544 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685362017 1187116371 /nfs/dbraw/zinc/11/63/71/1187116371.db2.gz QIUORKPTWFWNTM-OKYOBFRVSA-N 2 2 392.544 0.687 20 0 GCADLP COCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000685397511 1187121500 /nfs/dbraw/zinc/12/15/00/1187121500.db2.gz JKDTZHUODYXVQJ-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP COCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000685397511 1187121503 /nfs/dbraw/zinc/12/15/03/1187121503.db2.gz JKDTZHUODYXVQJ-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1)S(C)(=O)=O ZINC000685436800 1187128732 /nfs/dbraw/zinc/12/87/32/1187128732.db2.gz XXGWYCJJBYYUFE-MRXNPFEDSA-N 2 2 396.561 0.332 20 0 GCADLP CN(C[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1)S(C)(=O)=O ZINC000685436800 1187128734 /nfs/dbraw/zinc/12/87/34/1187128734.db2.gz XXGWYCJJBYYUFE-MRXNPFEDSA-N 2 2 396.561 0.332 20 0 GCADLP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685518955 1187141826 /nfs/dbraw/zinc/14/18/26/1187141826.db2.gz BHUWNKGXMIWTSR-SFHVURJKSA-N 2 2 378.517 0.300 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@H+](C)CCCO)CC1 ZINC000172305839 1187155275 /nfs/dbraw/zinc/15/52/75/1187155275.db2.gz DWYJSULXAGUHRV-GOSISDBHSA-N 2 2 389.544 0.897 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000172305839 1187155279 /nfs/dbraw/zinc/15/52/79/1187155279.db2.gz DWYJSULXAGUHRV-GOSISDBHSA-N 2 2 389.544 0.897 20 0 GCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3O)ccn12 ZINC001023842529 1187158569 /nfs/dbraw/zinc/15/85/69/1187158569.db2.gz CIRAILXTFHPNSA-MWQQHZPXSA-N 2 2 385.468 0.284 20 0 GCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3O)ccn12 ZINC001023842529 1187158571 /nfs/dbraw/zinc/15/85/71/1187158571.db2.gz CIRAILXTFHPNSA-MWQQHZPXSA-N 2 2 385.468 0.284 20 0 GCADLP COCC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000685643307 1187192737 /nfs/dbraw/zinc/19/27/37/1187192737.db2.gz FVXWUXMNHGEDRH-KRWDZBQOSA-N 2 2 379.505 0.710 20 0 GCADLP COCC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000685643307 1187192740 /nfs/dbraw/zinc/19/27/40/1187192740.db2.gz FVXWUXMNHGEDRH-KRWDZBQOSA-N 2 2 379.505 0.710 20 0 GCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001024376604 1187367026 /nfs/dbraw/zinc/36/70/26/1187367026.db2.gz RYMWECBDDZLCHO-JOCBIADPSA-N 2 2 389.500 0.322 20 0 GCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001024376604 1187367031 /nfs/dbraw/zinc/36/70/31/1187367031.db2.gz RYMWECBDDZLCHO-JOCBIADPSA-N 2 2 389.500 0.322 20 0 GCADLP CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)[NH+]1CCCC1 ZINC001024378551 1187376295 /nfs/dbraw/zinc/37/62/95/1187376295.db2.gz RTBDIKHKBFYMQE-RRCSTGOVSA-N 2 2 375.473 0.076 20 0 GCADLP CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)[NH+]1CCCC1 ZINC001024378551 1187376298 /nfs/dbraw/zinc/37/62/98/1187376298.db2.gz RTBDIKHKBFYMQE-RRCSTGOVSA-N 2 2 375.473 0.076 20 0 GCADLP CC(C)OC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000658617132 1187383641 /nfs/dbraw/zinc/38/36/41/1187383641.db2.gz SZPWTCCRBQNASV-GOSISDBHSA-N 2 2 398.548 0.123 20 0 GCADLP CC(C)OC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000658617132 1187383644 /nfs/dbraw/zinc/38/36/44/1187383644.db2.gz SZPWTCCRBQNASV-GOSISDBHSA-N 2 2 398.548 0.123 20 0 GCADLP CC[C@H]1C[N@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000413631421 1187446412 /nfs/dbraw/zinc/44/64/12/1187446412.db2.gz XJDAWFXAWCYGSL-SFHVURJKSA-N 2 2 397.564 0.193 20 0 GCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000413631421 1187446415 /nfs/dbraw/zinc/44/64/15/1187446415.db2.gz XJDAWFXAWCYGSL-SFHVURJKSA-N 2 2 397.564 0.193 20 0 GCADLP CC(C)[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[NH+]1CCN(C)CC1 ZINC000612336674 1187466009 /nfs/dbraw/zinc/46/60/09/1187466009.db2.gz ZNCNNYUHDFFTLX-BGYRXZFFSA-N 2 2 396.624 0.830 20 0 GCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCN(C)CC1 ZINC000612337296 1187466366 /nfs/dbraw/zinc/46/63/66/1187466366.db2.gz PRAWFGDQEMIOQZ-RTBURBONSA-N 2 2 381.565 0.765 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892498751 1187500428 /nfs/dbraw/zinc/50/04/28/1187500428.db2.gz MNMKOMOXHPSKRH-CQSZACIVSA-N 2 2 386.504 0.973 20 0 GCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612488342 1187506629 /nfs/dbraw/zinc/50/66/29/1187506629.db2.gz ZKKQNFRKTHVICC-ZWKOTPCHSA-N 2 2 380.533 0.546 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000658810658 1187533395 /nfs/dbraw/zinc/53/33/95/1187533395.db2.gz NEKXLOYIYZHUIQ-MOPGFXCFSA-N 2 2 392.544 0.787 20 0 GCADLP C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000658820683 1187552467 /nfs/dbraw/zinc/55/24/67/1187552467.db2.gz ZONNFWDIESDPJR-FUHWJXTLSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000658820683 1187552470 /nfs/dbraw/zinc/55/24/70/1187552470.db2.gz ZONNFWDIESDPJR-FUHWJXTLSA-N 2 2 382.549 0.480 20 0 GCADLP C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1C[N@H+](C)CCO1 ZINC000133058481 1187571208 /nfs/dbraw/zinc/57/12/08/1187571208.db2.gz YMZBSXPBLVJIPI-DOTOQJQBSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133058481 1187571217 /nfs/dbraw/zinc/57/12/17/1187571217.db2.gz YMZBSXPBLVJIPI-DOTOQJQBSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000133293224 1187591298 /nfs/dbraw/zinc/59/12/98/1187591298.db2.gz DTXHZKXUKAJTSX-RDJZCZTQSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133293224 1187591300 /nfs/dbraw/zinc/59/13/00/1187591300.db2.gz DTXHZKXUKAJTSX-RDJZCZTQSA-N 2 2 376.505 0.352 20 0 GCADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000685825897 1187630395 /nfs/dbraw/zinc/63/03/95/1187630395.db2.gz MSIRLTBKPTZMIL-LPHOPBHVSA-N 2 2 377.489 0.200 20 0 GCADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000685825897 1187630399 /nfs/dbraw/zinc/63/03/99/1187630399.db2.gz MSIRLTBKPTZMIL-LPHOPBHVSA-N 2 2 377.489 0.200 20 0 GCADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000685825897 1187630402 /nfs/dbraw/zinc/63/04/02/1187630402.db2.gz MSIRLTBKPTZMIL-LPHOPBHVSA-N 2 2 377.489 0.200 20 0 GCADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000685825897 1187630405 /nfs/dbraw/zinc/63/04/05/1187630405.db2.gz MSIRLTBKPTZMIL-LPHOPBHVSA-N 2 2 377.489 0.200 20 0 GCADLP C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)n[nH]2)[C@@H](C)C[N@@H+]1C ZINC000613189870 1187694548 /nfs/dbraw/zinc/69/45/48/1187694548.db2.gz ABSCTGCXNDFOIX-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)n[nH]2)[C@@H](C)C[N@H+]1C ZINC000613189870 1187694552 /nfs/dbraw/zinc/69/45/52/1187694552.db2.gz ABSCTGCXNDFOIX-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)[N@H+](C)C[C@@H]3C)n[nH]2)[C@@H](C)C[NH+]1C ZINC000613189870 1187694556 /nfs/dbraw/zinc/69/45/56/1187694556.db2.gz ABSCTGCXNDFOIX-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)[N@@H+](C)C[C@@H]3C)n[nH]2)[C@@H](C)C[NH+]1C ZINC000613189870 1187694561 /nfs/dbraw/zinc/69/45/61/1187694561.db2.gz ABSCTGCXNDFOIX-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)[N@@H+](C)C[C@@H]3C)[nH]n2)[C@@H](C)C[NH+]1C ZINC000613189870 1187694564 /nfs/dbraw/zinc/69/45/64/1187694564.db2.gz ABSCTGCXNDFOIX-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)[N@H+](C)C[C@@H]3C)[nH]n2)[C@@H](C)C[NH+]1C ZINC000613189870 1187694568 /nfs/dbraw/zinc/69/45/68/1187694568.db2.gz ABSCTGCXNDFOIX-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)[nH]n2)[C@@H](C)C[N@H+]1C ZINC000613189870 1187694574 /nfs/dbraw/zinc/69/45/74/1187694574.db2.gz ABSCTGCXNDFOIX-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)[nH]n2)[C@@H](C)C[N@@H+]1C ZINC000613189870 1187694578 /nfs/dbraw/zinc/69/45/78/1187694578.db2.gz ABSCTGCXNDFOIX-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000892543485 1187741991 /nfs/dbraw/zinc/74/19/91/1187741991.db2.gz FSHJUVJWLPRNAE-SJORKVTESA-N 2 2 386.500 0.466 20 0 GCADLP C[N@H+]1C[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000892543485 1187741998 /nfs/dbraw/zinc/74/19/98/1187741998.db2.gz FSHJUVJWLPRNAE-SJORKVTESA-N 2 2 386.500 0.466 20 0 GCADLP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000376314711 1187757956 /nfs/dbraw/zinc/75/79/56/1187757956.db2.gz CVFRQPMTCNYWSY-CIQAELJKSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000376314711 1187757958 /nfs/dbraw/zinc/75/79/58/1187757958.db2.gz CVFRQPMTCNYWSY-CIQAELJKSA-N 2 2 395.548 0.478 20 0 GCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000332781755 1187771654 /nfs/dbraw/zinc/77/16/54/1187771654.db2.gz XGPXFCFMNNIJRF-BHIYHBOVSA-N 2 2 379.549 0.071 20 0 GCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000332781755 1187771657 /nfs/dbraw/zinc/77/16/57/1187771657.db2.gz XGPXFCFMNNIJRF-BHIYHBOVSA-N 2 2 379.549 0.071 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)CC1 ZINC000549046263 1187795329 /nfs/dbraw/zinc/79/53/29/1187795329.db2.gz JSKSQACIIHTZIZ-ROUUACIJSA-N 2 2 377.533 0.998 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000892611554 1187827583 /nfs/dbraw/zinc/82/75/83/1187827583.db2.gz PACNQVJQNRKBNQ-OALUTQOASA-N 2 2 376.501 0.955 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000892611554 1187827587 /nfs/dbraw/zinc/82/75/87/1187827587.db2.gz PACNQVJQNRKBNQ-OALUTQOASA-N 2 2 376.501 0.955 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892613733 1187831605 /nfs/dbraw/zinc/83/16/05/1187831605.db2.gz GCFJHKTVGBYMKI-HPBDAGMYSA-N 2 2 385.468 0.750 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892613733 1187831608 /nfs/dbraw/zinc/83/16/08/1187831608.db2.gz GCFJHKTVGBYMKI-HPBDAGMYSA-N 2 2 385.468 0.750 20 0 GCADLP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000659061760 1187855466 /nfs/dbraw/zinc/85/54/66/1187855466.db2.gz YJZMXFYKHCTICM-KRWDZBQOSA-N 2 2 380.533 0.642 20 0 GCADLP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000659061760 1187855472 /nfs/dbraw/zinc/85/54/72/1187855472.db2.gz YJZMXFYKHCTICM-KRWDZBQOSA-N 2 2 380.533 0.642 20 0 GCADLP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000659061763 1187855708 /nfs/dbraw/zinc/85/57/08/1187855708.db2.gz YJZMXFYKHCTICM-QGZVFWFLSA-N 2 2 380.533 0.642 20 0 GCADLP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000659061763 1187855716 /nfs/dbraw/zinc/85/57/16/1187855716.db2.gz YJZMXFYKHCTICM-QGZVFWFLSA-N 2 2 380.533 0.642 20 0 GCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000659113145 1187891226 /nfs/dbraw/zinc/89/12/26/1187891226.db2.gz MQAVFTKKILLVCV-CQSZACIVSA-N 2 2 375.473 0.013 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C2CC2)O1 ZINC000659344537 1187946243 /nfs/dbraw/zinc/94/62/43/1187946243.db2.gz CLFBNNJZBRXOQT-AYOQOUSVSA-N 2 2 392.544 0.639 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C2CC2)O1 ZINC000659344537 1187946244 /nfs/dbraw/zinc/94/62/44/1187946244.db2.gz CLFBNNJZBRXOQT-AYOQOUSVSA-N 2 2 392.544 0.639 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)S1 ZINC000659344596 1187947331 /nfs/dbraw/zinc/94/73/31/1187947331.db2.gz ISSKCFOYLPEOCN-INMHGKMJSA-N 2 2 382.574 0.966 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)S1 ZINC000659344596 1187947333 /nfs/dbraw/zinc/94/73/33/1187947333.db2.gz ISSKCFOYLPEOCN-INMHGKMJSA-N 2 2 382.574 0.966 20 0 GCADLP CN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376586426 1187953498 /nfs/dbraw/zinc/95/34/98/1187953498.db2.gz WZGHGOOEXYDVEE-JWTNVVGKSA-N 2 2 387.532 0.865 20 0 GCADLP CN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376586426 1187953500 /nfs/dbraw/zinc/95/35/00/1187953500.db2.gz WZGHGOOEXYDVEE-JWTNVVGKSA-N 2 2 387.532 0.865 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000376603560 1187968605 /nfs/dbraw/zinc/96/86/05/1187968605.db2.gz CKRDYLYRKDEGAJ-INIZCTEOSA-N 2 2 381.521 0.045 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000376603560 1187968609 /nfs/dbraw/zinc/96/86/09/1187968609.db2.gz CKRDYLYRKDEGAJ-INIZCTEOSA-N 2 2 381.521 0.045 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000376603560 1187968610 /nfs/dbraw/zinc/96/86/10/1187968610.db2.gz CKRDYLYRKDEGAJ-INIZCTEOSA-N 2 2 381.521 0.045 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000376603560 1187968614 /nfs/dbraw/zinc/96/86/14/1187968614.db2.gz CKRDYLYRKDEGAJ-INIZCTEOSA-N 2 2 381.521 0.045 20 0 GCADLP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001104699556 1188001819 /nfs/dbraw/zinc/00/18/19/1188001819.db2.gz YGKOXOMXEYCCID-KBUPBQIOSA-N 2 2 390.488 0.053 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000659698673 1188003441 /nfs/dbraw/zinc/00/34/41/1188003441.db2.gz HWSOAEMSRJTTOT-MJGOQNOKSA-N 2 2 387.528 0.511 20 0 GCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376617433 1188010923 /nfs/dbraw/zinc/01/09/23/1188010923.db2.gz VPNVXMUYODKOEH-NVXWUHKLSA-N 2 2 376.505 1.477 20 0 GCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)C2)CC1 ZINC000106525014 1188012694 /nfs/dbraw/zinc/01/26/94/1188012694.db2.gz MBQGCTSDFVJMTD-RBUKOAKNSA-N 2 2 381.565 0.765 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@H](C)C1 ZINC000376638380 1188012792 /nfs/dbraw/zinc/01/27/92/1188012792.db2.gz BDKSGVGVFXPBDL-RYRKJORJSA-N 2 2 386.562 0.291 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@H](C)C1 ZINC000376638380 1188012798 /nfs/dbraw/zinc/01/27/98/1188012798.db2.gz BDKSGVGVFXPBDL-RYRKJORJSA-N 2 2 386.562 0.291 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000659756339 1188021047 /nfs/dbraw/zinc/02/10/47/1188021047.db2.gz QVCDRZNVLLODJM-CGTJXYLNSA-N 3 2 381.565 0.506 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000659756339 1188021049 /nfs/dbraw/zinc/02/10/49/1188021049.db2.gz QVCDRZNVLLODJM-CGTJXYLNSA-N 3 2 381.565 0.506 20 0 GCADLP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000377466464 1188029440 /nfs/dbraw/zinc/02/94/40/1188029440.db2.gz ZFBMDYDQKFPCJZ-KURKYZTESA-N 2 2 380.533 0.404 20 0 GCADLP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000377466464 1188029448 /nfs/dbraw/zinc/02/94/48/1188029448.db2.gz ZFBMDYDQKFPCJZ-KURKYZTESA-N 2 2 380.533 0.404 20 0 GCADLP CC(C)CN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000377575147 1188078160 /nfs/dbraw/zinc/07/81/60/1188078160.db2.gz LHWQZLVKDJCTMA-SFHVURJKSA-N 2 2 394.560 0.746 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000415608812 1188126353 /nfs/dbraw/zinc/12/63/53/1188126353.db2.gz VBTGNYSWIDCYJN-OAQYLSRUSA-N 2 2 385.512 0.585 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000415813295 1189369130 /nfs/dbraw/zinc/36/91/30/1189369130.db2.gz FVWAMMQQEMNXFR-MJGOQNOKSA-N 2 2 385.512 0.583 20 0 GCADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377917355 1189370639 /nfs/dbraw/zinc/37/06/39/1189370639.db2.gz SWIAOGXUYVOZFU-ROUUACIJSA-N 2 2 382.549 0.791 20 0 GCADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377917355 1189370642 /nfs/dbraw/zinc/37/06/42/1189370642.db2.gz SWIAOGXUYVOZFU-ROUUACIJSA-N 2 2 382.549 0.791 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC000415822625 1189374316 /nfs/dbraw/zinc/37/43/16/1189374316.db2.gz MUNJVVRZQWZLLW-UHFFFAOYSA-N 2 2 387.484 0.223 20 0 GCADLP C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@@H]1C[NH3+] ZINC000415837335 1189376485 /nfs/dbraw/zinc/37/64/85/1189376485.db2.gz CMIMELPHXNPLEV-WMZOPIPTSA-N 2 2 387.528 0.816 20 0 GCADLP CN(C)S(=O)(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n(C)c1 ZINC000181881795 1189396767 /nfs/dbraw/zinc/39/67/67/1189396767.db2.gz PSDBJBCPALFCBI-UHFFFAOYSA-N 2 2 399.561 0.373 20 0 GCADLP CN(C)S(=O)(=O)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n(C)c1 ZINC000181881795 1189396772 /nfs/dbraw/zinc/39/67/72/1189396772.db2.gz PSDBJBCPALFCBI-UHFFFAOYSA-N 2 2 399.561 0.373 20 0 GCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368826 1189457523 /nfs/dbraw/zinc/45/75/23/1189457523.db2.gz UWGLOCDISNDNOG-ZWKOTPCHSA-N 2 2 380.533 0.642 20 0 GCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368826 1189457529 /nfs/dbraw/zinc/45/75/29/1189457529.db2.gz UWGLOCDISNDNOG-ZWKOTPCHSA-N 2 2 380.533 0.642 20 0 GCADLP CC(C)[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378409557 1189499616 /nfs/dbraw/zinc/49/96/16/1189499616.db2.gz MIFJLDRAONXBOA-CEXWTWQISA-N 2 2 397.560 0.806 20 0 GCADLP CC(C)[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378409557 1189499620 /nfs/dbraw/zinc/49/96/20/1189499620.db2.gz MIFJLDRAONXBOA-CEXWTWQISA-N 2 2 397.560 0.806 20 0 GCADLP COc1cccc(CN(C)C(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000378430211 1189504507 /nfs/dbraw/zinc/50/45/07/1189504507.db2.gz NPKAMFSOORRSCV-UHFFFAOYSA-N 2 2 391.512 0.813 20 0 GCADLP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000431867589 1189507129 /nfs/dbraw/zinc/50/71/29/1189507129.db2.gz BZXGHYHEJGZSLQ-UHFFFAOYSA-N 2 2 375.473 0.766 20 0 GCADLP CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000378437376 1189509252 /nfs/dbraw/zinc/50/92/52/1189509252.db2.gz SIIWYQQNUREZMV-ZWKOTPCHSA-N 2 2 395.548 0.480 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CC4)C2)CC1 ZINC000363908196 1189567996 /nfs/dbraw/zinc/56/79/96/1189567996.db2.gz FMQGOTOTQODOHY-INIZCTEOSA-N 2 2 399.495 0.795 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CC4)C2)CC1 ZINC000363908196 1189568000 /nfs/dbraw/zinc/56/80/00/1189568000.db2.gz FMQGOTOTQODOHY-INIZCTEOSA-N 2 2 399.495 0.795 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000571878344 1189589967 /nfs/dbraw/zinc/58/99/67/1189589967.db2.gz VJZULWDZPFVFGU-MRXNPFEDSA-N 2 2 379.468 0.972 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000416931004 1189595345 /nfs/dbraw/zinc/59/53/45/1189595345.db2.gz KMUGPNDXFLHPIT-SFHVURJKSA-N 2 2 388.516 0.292 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000108919340 1189595528 /nfs/dbraw/zinc/59/55/28/1189595528.db2.gz QGSJNRNQTVWYAE-IEBWSBKVSA-N 2 2 394.560 0.936 20 0 GCADLP CN(C(=O)c1cn(CC2(C)COC2)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363971084 1189597184 /nfs/dbraw/zinc/59/71/84/1189597184.db2.gz XRDSBHPNHGIWMI-INIZCTEOSA-N 2 2 376.505 0.555 20 0 GCADLP CN(C(=O)c1cn(CC2(C)COC2)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363971084 1189597186 /nfs/dbraw/zinc/59/71/86/1189597186.db2.gz XRDSBHPNHGIWMI-INIZCTEOSA-N 2 2 376.505 0.555 20 0 GCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000417153781 1189624557 /nfs/dbraw/zinc/62/45/57/1189624557.db2.gz JQRDEXGZVWJBIG-QAQDUYKDSA-N 2 2 375.521 0.663 20 0 GCADLP O=C(COC1C[NH2+]C1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000563060606 1189629498 /nfs/dbraw/zinc/62/94/98/1189629498.db2.gz QJBKTRSCACPIBG-UHFFFAOYSA-N 2 2 391.497 0.863 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584711420 1189635827 /nfs/dbraw/zinc/63/58/27/1189635827.db2.gz NTLUPALXGWVFSU-KZNAEPCWSA-N 2 2 380.533 0.737 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584711420 1189635833 /nfs/dbraw/zinc/63/58/33/1189635833.db2.gz NTLUPALXGWVFSU-KZNAEPCWSA-N 2 2 380.533 0.737 20 0 GCADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612878161 1189649803 /nfs/dbraw/zinc/64/98/03/1189649803.db2.gz DPXAJCSKNUPORG-HZPDHXFCSA-N 2 2 391.520 0.039 20 0 GCADLP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612878161 1189649805 /nfs/dbraw/zinc/64/98/05/1189649805.db2.gz DPXAJCSKNUPORG-HZPDHXFCSA-N 2 2 391.520 0.039 20 0 GCADLP [NH3+]CC[C@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417369175 1189654512 /nfs/dbraw/zinc/65/45/12/1189654512.db2.gz PWLMMHCGUMYVEH-QGZVFWFLSA-N 2 2 388.516 0.891 20 0 GCADLP C[C@@H]([NH3+])C1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000417371641 1189654678 /nfs/dbraw/zinc/65/46/78/1189654678.db2.gz WYVIEUPTNYJDGE-MRXNPFEDSA-N 2 2 388.516 0.889 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N[C@H](C)C[NH3+])cc2)CC1 ZINC000417470868 1189670642 /nfs/dbraw/zinc/67/06/42/1189670642.db2.gz UDKVFHFFEKIZQC-MRXNPFEDSA-N 2 2 391.516 0.418 20 0 GCADLP C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000417629743 1189692060 /nfs/dbraw/zinc/69/20/60/1189692060.db2.gz VPGWJWVAIJSTMG-JKSUJKDBSA-N 2 2 389.504 0.285 20 0 GCADLP C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000417629743 1189692062 /nfs/dbraw/zinc/69/20/62/1189692062.db2.gz VPGWJWVAIJSTMG-JKSUJKDBSA-N 2 2 389.504 0.285 20 0 GCADLP [NH3+]C1(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000417624454 1189692798 /nfs/dbraw/zinc/69/27/98/1189692798.db2.gz ONYMFYAJIWCOTP-HNNXBMFYSA-N 2 2 389.504 0.463 20 0 GCADLP [NH3+]C1(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000417624454 1189692801 /nfs/dbraw/zinc/69/28/01/1189692801.db2.gz ONYMFYAJIWCOTP-HNNXBMFYSA-N 2 2 389.504 0.463 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000584853030 1189692826 /nfs/dbraw/zinc/69/28/26/1189692826.db2.gz LFSXUBGVBQSJLK-MSOLQXFVSA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000584853030 1189692838 /nfs/dbraw/zinc/69/28/38/1189692838.db2.gz LFSXUBGVBQSJLK-MSOLQXFVSA-N 2 2 382.549 0.696 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N1CCO[C@H](C[NH3+])C1)CC2 ZINC000417670986 1189694389 /nfs/dbraw/zinc/69/43/89/1189694389.db2.gz PJKDFNPQAWNBKA-MRXNPFEDSA-N 2 2 378.473 0.431 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N1CCO[C@H](C[NH3+])C1)CC2 ZINC000417670986 1189694394 /nfs/dbraw/zinc/69/43/94/1189694394.db2.gz PJKDFNPQAWNBKA-MRXNPFEDSA-N 2 2 378.473 0.431 20 0 GCADLP C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000150728596 1189714949 /nfs/dbraw/zinc/71/49/49/1189714949.db2.gz DNKCSEWGEUPORR-MRXNPFEDSA-N 2 2 398.511 0.946 20 0 GCADLP C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000150728596 1189714955 /nfs/dbraw/zinc/71/49/55/1189714955.db2.gz DNKCSEWGEUPORR-MRXNPFEDSA-N 2 2 398.511 0.946 20 0 GCADLP O=C(CCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000579594085 1189727383 /nfs/dbraw/zinc/72/73/83/1189727383.db2.gz YNTBQPWXGQVQNE-IRXDYDNUSA-N 2 2 387.484 0.100 20 0 GCADLP O=C(NCCC[NH2+]C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418292767 1189748758 /nfs/dbraw/zinc/74/87/58/1189748758.db2.gz YVBUWABVQHMNIH-UHFFFAOYSA-N 2 2 389.504 0.287 20 0 GCADLP O=C(NCCC[NH2+]C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418292767 1189748760 /nfs/dbraw/zinc/74/87/60/1189748760.db2.gz YVBUWABVQHMNIH-UHFFFAOYSA-N 2 2 389.504 0.287 20 0 GCADLP Cc1cc(N2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000418305542 1189755497 /nfs/dbraw/zinc/75/54/97/1189755497.db2.gz OOXCMEHIZMTWHJ-UHFFFAOYSA-N 2 2 375.521 0.645 20 0 GCADLP C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000431983907 1189828068 /nfs/dbraw/zinc/82/80/68/1189828068.db2.gz FSKMEOJDDHSBDL-IAGOWNOFSA-N 2 2 383.537 0.387 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000431981463 1189828647 /nfs/dbraw/zinc/82/86/47/1189828647.db2.gz OBSHFEQIOBHDMM-CVEARBPZSA-N 2 2 387.484 0.908 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000431981463 1189828660 /nfs/dbraw/zinc/82/86/60/1189828660.db2.gz OBSHFEQIOBHDMM-CVEARBPZSA-N 2 2 387.484 0.908 20 0 GCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660493699 1189854420 /nfs/dbraw/zinc/85/44/20/1189854420.db2.gz HXNUJAWNSRNUCJ-SFHVURJKSA-N 2 2 382.549 0.890 20 0 GCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000295199520 1189883574 /nfs/dbraw/zinc/88/35/74/1189883574.db2.gz OXDQJXTUWHNUCG-JKSUJKDBSA-N 2 2 393.488 0.450 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000975260641 1189931755 /nfs/dbraw/zinc/93/17/55/1189931755.db2.gz OCVSKNPTGKXJIH-YFHUEUNASA-N 2 2 383.496 0.679 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC000660868394 1189961202 /nfs/dbraw/zinc/96/12/02/1189961202.db2.gz ZWZJRFSFSMKMPO-MRXNPFEDSA-N 2 2 381.521 0.045 20 0 GCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178171 1190008710 /nfs/dbraw/zinc/00/87/10/1190008710.db2.gz CXSJTBASEDDZAZ-KURKYZTESA-N 2 2 375.469 0.043 20 0 GCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178171 1190008714 /nfs/dbraw/zinc/00/87/14/1190008714.db2.gz CXSJTBASEDDZAZ-KURKYZTESA-N 2 2 375.469 0.043 20 0 GCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178171 1190008719 /nfs/dbraw/zinc/00/87/19/1190008719.db2.gz CXSJTBASEDDZAZ-KURKYZTESA-N 2 2 375.469 0.043 20 0 GCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178171 1190008727 /nfs/dbraw/zinc/00/87/27/1190008727.db2.gz CXSJTBASEDDZAZ-KURKYZTESA-N 2 2 375.469 0.043 20 0 GCADLP CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662789475 1190030614 /nfs/dbraw/zinc/03/06/14/1190030614.db2.gz BTPKGHNTYQDWDP-QAPCUYQASA-N 2 2 388.516 0.786 20 0 GCADLP CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662789475 1190030621 /nfs/dbraw/zinc/03/06/21/1190030621.db2.gz BTPKGHNTYQDWDP-QAPCUYQASA-N 2 2 388.516 0.786 20 0 GCADLP CN(C(=O)[C@@H]1[NH2+]CCC1(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662792714 1190031689 /nfs/dbraw/zinc/03/16/89/1190031689.db2.gz XOGUZBJDZHBSNZ-SFHVURJKSA-N 3 2 379.549 0.071 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1 ZINC000411026017 1193723801 /nfs/dbraw/zinc/72/38/01/1193723801.db2.gz BNFJZZVYIRBDOA-UHFFFAOYSA-N 2 2 382.530 0.429 20 0 GCADLP Cc1csc(N2CCC([NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1 ZINC000329173178 1193755741 /nfs/dbraw/zinc/75/57/41/1193755741.db2.gz LHISDUXQJDGNLE-KRWDZBQOSA-N 2 2 393.557 0.943 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419248620 1193763194 /nfs/dbraw/zinc/76/31/94/1193763194.db2.gz XVJPHWHKWIOWOT-CQSZACIVSA-N 2 2 392.500 0.150 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419248620 1193763197 /nfs/dbraw/zinc/76/31/97/1193763197.db2.gz XVJPHWHKWIOWOT-CQSZACIVSA-N 2 2 392.500 0.150 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419272694 1193778626 /nfs/dbraw/zinc/77/86/26/1193778626.db2.gz VUKYTFGAVRNWFZ-LJQANCHMSA-N 2 2 388.512 0.736 20 0 GCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000263241305 1193808191 /nfs/dbraw/zinc/80/81/91/1193808191.db2.gz LFTVCMKVHWCLMQ-XLIONFOSSA-N 2 2 390.528 0.835 20 0 GCADLP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000333138444 1193817518 /nfs/dbraw/zinc/81/75/18/1193817518.db2.gz BZBCTXOVISKYOX-IPMKNSEASA-N 3 2 381.565 0.953 20 0 GCADLP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000333138444 1193817524 /nfs/dbraw/zinc/81/75/24/1193817524.db2.gz BZBCTXOVISKYOX-IPMKNSEASA-N 3 2 381.565 0.953 20 0 GCADLP CN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000333138442 1193817866 /nfs/dbraw/zinc/81/78/66/1193817866.db2.gz BZBCTXOVISKYOX-GUDVDZBRSA-N 3 2 381.565 0.953 20 0 GCADLP CN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000333138442 1193817872 /nfs/dbraw/zinc/81/78/72/1193817872.db2.gz BZBCTXOVISKYOX-GUDVDZBRSA-N 3 2 381.565 0.953 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000549894774 1193833408 /nfs/dbraw/zinc/83/34/08/1193833408.db2.gz HEYKFXMAJPUSGA-GOSISDBHSA-N 2 2 385.468 0.272 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000549894774 1193833415 /nfs/dbraw/zinc/83/34/15/1193833415.db2.gz HEYKFXMAJPUSGA-GOSISDBHSA-N 2 2 385.468 0.272 20 0 GCADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)CC1 ZINC000419347416 1193842954 /nfs/dbraw/zinc/84/29/54/1193842954.db2.gz WRTVISGLSIJBEQ-UHFFFAOYSA-N 2 2 397.470 0.151 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131507 1193857140 /nfs/dbraw/zinc/85/71/40/1193857140.db2.gz ZSGGPXJPIMEEQX-QFBILLFUSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131507 1193857144 /nfs/dbraw/zinc/85/71/44/1193857144.db2.gz ZSGGPXJPIMEEQX-QFBILLFUSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131507 1193857149 /nfs/dbraw/zinc/85/71/49/1193857149.db2.gz ZSGGPXJPIMEEQX-QFBILLFUSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131507 1193857159 /nfs/dbraw/zinc/85/71/59/1193857159.db2.gz ZSGGPXJPIMEEQX-QFBILLFUSA-N 3 2 379.549 0.396 20 0 GCADLP CCCCN(C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000576346388 1193859988 /nfs/dbraw/zinc/85/99/88/1193859988.db2.gz NMIMGJCHLHCAGC-CQSZACIVSA-N 2 2 394.520 0.745 20 0 GCADLP CCCCN(C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000576346388 1193859993 /nfs/dbraw/zinc/85/99/93/1193859993.db2.gz NMIMGJCHLHCAGC-CQSZACIVSA-N 2 2 394.520 0.745 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419381627 1193883230 /nfs/dbraw/zinc/88/32/30/1193883230.db2.gz CPXZJUBTTNTDMD-IXDOHACOSA-N 2 2 394.903 0.681 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419381627 1193883233 /nfs/dbraw/zinc/88/32/33/1193883233.db2.gz CPXZJUBTTNTDMD-IXDOHACOSA-N 2 2 394.903 0.681 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382602 1193889139 /nfs/dbraw/zinc/88/91/39/1193889139.db2.gz DPLXJEFSBKJXIN-BBWFWOEESA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382602 1193889145 /nfs/dbraw/zinc/88/91/45/1193889145.db2.gz DPLXJEFSBKJXIN-BBWFWOEESA-N 2 2 394.903 0.696 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419386463 1193896808 /nfs/dbraw/zinc/89/68/08/1193896808.db2.gz IRQCPNNCYJYJTG-SJORKVTESA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000419386463 1193896814 /nfs/dbraw/zinc/89/68/14/1193896814.db2.gz IRQCPNNCYJYJTG-SJORKVTESA-N 2 2 394.903 0.696 20 0 GCADLP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000549918932 1193899684 /nfs/dbraw/zinc/89/96/84/1193899684.db2.gz SSYJRQWECSYPLA-LJQANCHMSA-N 2 2 398.511 0.494 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392505 1193918819 /nfs/dbraw/zinc/91/88/19/1193918819.db2.gz OLCMTQKQGMBANZ-ULQDDVLXSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392505 1193918821 /nfs/dbraw/zinc/91/88/21/1193918821.db2.gz OLCMTQKQGMBANZ-ULQDDVLXSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392507 1193919013 /nfs/dbraw/zinc/91/90/13/1193919013.db2.gz OLCMTQKQGMBANZ-YESZJQIVSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392507 1193919015 /nfs/dbraw/zinc/91/90/15/1193919015.db2.gz OLCMTQKQGMBANZ-YESZJQIVSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392499 1193919021 /nfs/dbraw/zinc/91/90/21/1193919021.db2.gz OLCMTQKQGMBANZ-BRWVUGGUSA-N 2 2 394.903 0.778 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419392499 1193919023 /nfs/dbraw/zinc/91/90/23/1193919023.db2.gz OLCMTQKQGMBANZ-BRWVUGGUSA-N 2 2 394.903 0.778 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419394415 1193920783 /nfs/dbraw/zinc/92/07/83/1193920783.db2.gz SCWAYCOMKRNZLF-UHOFOFEASA-N 2 2 382.892 0.681 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419394415 1193920785 /nfs/dbraw/zinc/92/07/85/1193920785.db2.gz SCWAYCOMKRNZLF-UHOFOFEASA-N 2 2 382.892 0.681 20 0 GCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000261693714 1193923626 /nfs/dbraw/zinc/92/36/26/1193923626.db2.gz IRIAOACFBAEQOH-QGZVFWFLSA-N 2 2 383.500 0.500 20 0 GCADLP O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C[C@H]2COCC[NH2+]2)ccc1F ZINC000262316414 1193944978 /nfs/dbraw/zinc/94/49/78/1193944978.db2.gz DKXOVIWMDFFOBN-HNNXBMFYSA-N 2 2 394.447 0.804 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H](C)[NH+]3CCOCC3)CC2)CC1 ZINC000333457495 1193946990 /nfs/dbraw/zinc/94/69/90/1193946990.db2.gz OWPJHHYNMVMJQL-SFHVURJKSA-N 2 2 381.565 0.907 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)CC2)CC1 ZINC000333457487 1193947159 /nfs/dbraw/zinc/94/71/59/1193947159.db2.gz OWPJHHYNMVMJQL-GOSISDBHSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000262426882 1193947761 /nfs/dbraw/zinc/94/77/61/1193947761.db2.gz SIFIXHFPDLAVMA-DOTOQJQBSA-N 2 2 379.526 0.932 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000262426882 1193947762 /nfs/dbraw/zinc/94/77/62/1193947762.db2.gz SIFIXHFPDLAVMA-DOTOQJQBSA-N 2 2 379.526 0.932 20 0 GCADLP C[C@H]1C[C@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000262426886 1193947776 /nfs/dbraw/zinc/94/77/76/1193947776.db2.gz SIFIXHFPDLAVMA-RDJZCZTQSA-N 2 2 379.526 0.932 20 0 GCADLP C[C@H]1C[C@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000262426886 1193947778 /nfs/dbraw/zinc/94/77/78/1193947778.db2.gz SIFIXHFPDLAVMA-RDJZCZTQSA-N 2 2 379.526 0.932 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000513464452 1193953863 /nfs/dbraw/zinc/95/38/63/1193953863.db2.gz YJZLUIYSTCTSFE-INIZCTEOSA-N 3 2 383.581 0.563 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000513464452 1193953865 /nfs/dbraw/zinc/95/38/65/1193953865.db2.gz YJZLUIYSTCTSFE-INIZCTEOSA-N 3 2 383.581 0.563 20 0 GCADLP CCCCN(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000647829747 1193954456 /nfs/dbraw/zinc/95/44/56/1193954456.db2.gz UFGXMAVPJWXDPT-ZDUSSCGKSA-N 2 2 380.493 0.355 20 0 GCADLP CCCCN(C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000647829747 1193954459 /nfs/dbraw/zinc/95/44/59/1193954459.db2.gz UFGXMAVPJWXDPT-ZDUSSCGKSA-N 2 2 380.493 0.355 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000263109797 1193962107 /nfs/dbraw/zinc/96/21/07/1193962107.db2.gz DLKARQIXASQUJL-BEFAXECRSA-N 2 2 376.501 1.000 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433936448 1193962800 /nfs/dbraw/zinc/96/28/00/1193962800.db2.gz KBJBVVCZZTXPCV-CALCHBBNSA-N 2 2 397.564 0.728 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433936448 1193962801 /nfs/dbraw/zinc/96/28/01/1193962801.db2.gz KBJBVVCZZTXPCV-CALCHBBNSA-N 2 2 397.564 0.728 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[NH+]1CCOCC1 ZINC000549940895 1193965322 /nfs/dbraw/zinc/96/53/22/1193965322.db2.gz NBRYFGIUMAWMON-KRWDZBQOSA-N 2 2 382.549 0.840 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000513603808 1193966340 /nfs/dbraw/zinc/96/63/40/1193966340.db2.gz RRNNOYPBBKCOIP-KZNAEPCWSA-N 2 2 394.560 0.791 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000513603808 1193966344 /nfs/dbraw/zinc/96/63/44/1193966344.db2.gz RRNNOYPBBKCOIP-KZNAEPCWSA-N 2 2 394.560 0.791 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419396832 1193970732 /nfs/dbraw/zinc/97/07/32/1193970732.db2.gz WLBOGAGYGRBFNX-WQVCFCJDSA-N 2 2 382.892 0.539 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419396832 1193970734 /nfs/dbraw/zinc/97/07/34/1193970734.db2.gz WLBOGAGYGRBFNX-WQVCFCJDSA-N 2 2 382.892 0.539 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419396831 1193970840 /nfs/dbraw/zinc/97/08/40/1193970840.db2.gz WLBOGAGYGRBFNX-UHOFOFEASA-N 2 2 382.892 0.539 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419396831 1193970841 /nfs/dbraw/zinc/97/08/41/1193970841.db2.gz WLBOGAGYGRBFNX-UHOFOFEASA-N 2 2 382.892 0.539 20 0 GCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000982861259 1193979726 /nfs/dbraw/zinc/97/97/26/1193979726.db2.gz DYJHSDBFXSZWRB-QBPKDAKJSA-N 2 2 391.516 0.662 20 0 GCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000982861259 1193979729 /nfs/dbraw/zinc/97/97/29/1193979729.db2.gz DYJHSDBFXSZWRB-QBPKDAKJSA-N 2 2 391.516 0.662 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)[C@H](C)C[NH2+]1 ZINC000419398867 1194018809 /nfs/dbraw/zinc/01/88/09/1194018809.db2.gz IKJSIEWLQLDJPX-NUJGCVRESA-N 2 2 390.553 0.929 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)[C@H](C)C[NH2+]1 ZINC000419398867 1194018811 /nfs/dbraw/zinc/01/88/11/1194018811.db2.gz IKJSIEWLQLDJPX-NUJGCVRESA-N 2 2 390.553 0.929 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419411436 1194029637 /nfs/dbraw/zinc/02/96/37/1194029637.db2.gz BSOBKWSFXHOAQD-PKOBYXMFSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419411436 1194029642 /nfs/dbraw/zinc/02/96/42/1194029642.db2.gz BSOBKWSFXHOAQD-PKOBYXMFSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419411436 1194029646 /nfs/dbraw/zinc/02/96/46/1194029646.db2.gz BSOBKWSFXHOAQD-PKOBYXMFSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419411436 1194029651 /nfs/dbraw/zinc/02/96/51/1194029651.db2.gz BSOBKWSFXHOAQD-PKOBYXMFSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419450751 1194036949 /nfs/dbraw/zinc/03/69/49/1194036949.db2.gz MCPBKZWXWFOMLB-KURKYZTESA-N 2 2 387.528 0.522 20 0 GCADLP COc1ccccc1[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000501059832 1194044764 /nfs/dbraw/zinc/04/47/64/1194044764.db2.gz OIJUTQCCQKBQBO-QGZVFWFLSA-N 2 2 391.516 0.761 20 0 GCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419503811 1194046813 /nfs/dbraw/zinc/04/68/13/1194046813.db2.gz IHPJGMDSOLRLGF-SFHVURJKSA-N 2 2 391.491 0.274 20 0 GCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419505232 1194047447 /nfs/dbraw/zinc/04/74/47/1194047447.db2.gz LJAAANPIBJRULP-FQEVSTJZSA-N 2 2 391.491 0.261 20 0 GCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419507054 1194048435 /nfs/dbraw/zinc/04/84/35/1194048435.db2.gz OPYOPPKMEDIWEY-RDJZCZTQSA-N 2 2 391.491 0.308 20 0 GCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419487346 1194049031 /nfs/dbraw/zinc/04/90/31/1194049031.db2.gz BAPXXPPGEITPQN-HOTGVXAUSA-N 2 2 391.491 0.260 20 0 GCADLP [NH3+]CC1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000419512623 1194051156 /nfs/dbraw/zinc/05/11/56/1194051156.db2.gz XNHDKHAOAYAXAG-UHFFFAOYSA-N 2 2 391.491 0.261 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419512267 1194051348 /nfs/dbraw/zinc/05/13/48/1194051348.db2.gz WZJXNZUUOJQQHM-HOTGVXAUSA-N 2 2 391.491 0.273 20 0 GCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419513294 1194051447 /nfs/dbraw/zinc/05/14/47/1194051447.db2.gz ZAZIIXSZNBUUOI-QGZVFWFLSA-N 2 2 393.507 0.698 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419686447 1194085106 /nfs/dbraw/zinc/08/51/06/1194085106.db2.gz OBIBCLAZJHQIEB-MRRJBJDNSA-N 2 2 391.422 0.928 20 0 GCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419720023 1194092230 /nfs/dbraw/zinc/09/22/30/1194092230.db2.gz HEVKMWPAOKWVKO-YOEHRIQHSA-N 2 2 391.422 0.930 20 0 GCADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000419718244 1194092321 /nfs/dbraw/zinc/09/23/21/1194092321.db2.gz CWIYNQYVASFGFU-ROUUACIJSA-N 2 2 385.468 0.660 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1c1cccc(F)c1 ZINC000419725067 1194093374 /nfs/dbraw/zinc/09/33/74/1194093374.db2.gz HYNSEDNLCICXJK-OKZBNKHCSA-N 2 2 397.454 0.869 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)cc2)CC1 ZINC000419803643 1194106834 /nfs/dbraw/zinc/10/68/34/1194106834.db2.gz FHOJMPOATCRGAD-UHFFFAOYSA-N 2 2 387.528 0.973 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419845099 1194119750 /nfs/dbraw/zinc/11/97/50/1194119750.db2.gz PJKZIGRBIFAYFP-BHIYHBOVSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419845099 1194119751 /nfs/dbraw/zinc/11/97/51/1194119751.db2.gz PJKZIGRBIFAYFP-BHIYHBOVSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419845101 1194119913 /nfs/dbraw/zinc/11/99/13/1194119913.db2.gz PJKZIGRBIFAYFP-QXAKKESOSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419845101 1194119916 /nfs/dbraw/zinc/11/99/16/1194119916.db2.gz PJKZIGRBIFAYFP-QXAKKESOSA-N 3 2 393.576 0.650 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419873223 1194128310 /nfs/dbraw/zinc/12/83/10/1194128310.db2.gz VCIHELHUJFJTJC-OTWHNJEPSA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419873223 1194128312 /nfs/dbraw/zinc/12/83/12/1194128312.db2.gz VCIHELHUJFJTJC-OTWHNJEPSA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419875562 1194129440 /nfs/dbraw/zinc/12/94/40/1194129440.db2.gz HFLWHXTUDYRFDN-KBAYOESNSA-N 3 2 379.549 0.260 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419875562 1194129442 /nfs/dbraw/zinc/12/94/42/1194129442.db2.gz HFLWHXTUDYRFDN-KBAYOESNSA-N 3 2 379.549 0.260 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419908625 1194141701 /nfs/dbraw/zinc/14/17/01/1194141701.db2.gz IXIWEDTUADXROO-RBUKOAKNSA-N 3 2 395.592 0.898 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419908625 1194141703 /nfs/dbraw/zinc/14/17/03/1194141703.db2.gz IXIWEDTUADXROO-RBUKOAKNSA-N 3 2 395.592 0.898 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419939862 1194146036 /nfs/dbraw/zinc/14/60/36/1194146036.db2.gz YWFFFEFJPCFJJA-GOSISDBHSA-N 3 2 375.517 0.287 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419939862 1194146039 /nfs/dbraw/zinc/14/60/39/1194146039.db2.gz YWFFFEFJPCFJJA-GOSISDBHSA-N 3 2 375.517 0.287 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420027636 1194159748 /nfs/dbraw/zinc/15/97/48/1194159748.db2.gz DAOXRRODLODCRC-NRKLIOEPSA-N 2 2 396.532 0.316 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000420028300 1194159756 /nfs/dbraw/zinc/15/97/56/1194159756.db2.gz DDMCISIDDVFHAZ-XYJFISCASA-N 2 2 388.512 0.949 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000420028300 1194159759 /nfs/dbraw/zinc/15/97/59/1194159759.db2.gz DDMCISIDDVFHAZ-XYJFISCASA-N 2 2 388.512 0.949 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420028294 1194159767 /nfs/dbraw/zinc/15/97/67/1194159767.db2.gz DDMCISIDDVFHAZ-RYRKJORJSA-N 2 2 388.512 0.949 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420028294 1194159770 /nfs/dbraw/zinc/15/97/70/1194159770.db2.gz DDMCISIDDVFHAZ-RYRKJORJSA-N 2 2 388.512 0.949 20 0 GCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420056679 1194163753 /nfs/dbraw/zinc/16/37/53/1194163753.db2.gz IUEOOQTUVABUKT-CABCVRRESA-N 2 2 379.505 0.913 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420041871 1194166809 /nfs/dbraw/zinc/16/68/09/1194166809.db2.gz QFJIYAMKWXGGDT-GOEBONIOSA-N 2 2 394.541 0.664 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)c1 ZINC000420157140 1194190785 /nfs/dbraw/zinc/19/07/85/1194190785.db2.gz WSXVMGRUAXVKAW-MRXNPFEDSA-N 2 2 386.496 0.936 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420160740 1194191070 /nfs/dbraw/zinc/19/10/70/1194191070.db2.gz VICDYFIBZLWRMO-NEWSRXKRSA-N 3 2 395.592 0.896 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420160740 1194191074 /nfs/dbraw/zinc/19/10/74/1194191074.db2.gz VICDYFIBZLWRMO-NEWSRXKRSA-N 3 2 395.592 0.896 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420160744 1194191818 /nfs/dbraw/zinc/19/18/18/1194191818.db2.gz VICDYFIBZLWRMO-QRQLOZEOSA-N 3 2 395.592 0.896 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420160744 1194191821 /nfs/dbraw/zinc/19/18/21/1194191821.db2.gz VICDYFIBZLWRMO-QRQLOZEOSA-N 3 2 395.592 0.896 20 0 GCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000420153130 1194194622 /nfs/dbraw/zinc/19/46/22/1194194622.db2.gz ASRSUHZETQWOBC-IRXDYDNUSA-N 2 2 380.533 0.594 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000420176805 1194195626 /nfs/dbraw/zinc/19/56/26/1194195626.db2.gz ATAOIEVCKDCJPU-UHFFFAOYSA-N 2 2 380.464 0.212 20 0 GCADLP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000420176805 1194195631 /nfs/dbraw/zinc/19/56/31/1194195631.db2.gz ATAOIEVCKDCJPU-UHFFFAOYSA-N 2 2 380.464 0.212 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000420221023 1194209478 /nfs/dbraw/zinc/20/94/78/1194209478.db2.gz ZQDFJLUIBGNZIK-HOTGVXAUSA-N 2 2 388.516 0.801 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501638877 1194216952 /nfs/dbraw/zinc/21/69/52/1194216952.db2.gz KOIUVXNRLDAXCQ-LJQANCHMSA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501638877 1194216958 /nfs/dbraw/zinc/21/69/58/1194216958.db2.gz KOIUVXNRLDAXCQ-LJQANCHMSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501636159 1194217114 /nfs/dbraw/zinc/21/71/14/1194217114.db2.gz DPEZMABHSLNQPS-ZIFCJYIRSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501636159 1194217118 /nfs/dbraw/zinc/21/71/18/1194217118.db2.gz DPEZMABHSLNQPS-ZIFCJYIRSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501636159 1194217122 /nfs/dbraw/zinc/21/71/22/1194217122.db2.gz DPEZMABHSLNQPS-ZIFCJYIRSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501636159 1194217125 /nfs/dbraw/zinc/21/71/25/1194217125.db2.gz DPEZMABHSLNQPS-ZIFCJYIRSA-N 2 2 394.560 0.935 20 0 GCADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000420353248 1194223612 /nfs/dbraw/zinc/22/36/12/1194223612.db2.gz BLEXXXKBLMFFQS-MJGOQNOKSA-N 2 2 397.541 0.864 20 0 GCADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000420353248 1194223615 /nfs/dbraw/zinc/22/36/15/1194223615.db2.gz BLEXXXKBLMFFQS-MJGOQNOKSA-N 2 2 397.541 0.864 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373868 1194225096 /nfs/dbraw/zinc/22/50/96/1194225096.db2.gz GYVLJCMXWBSWJC-RBUKOAKNSA-N 3 2 385.516 0.793 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373868 1194225099 /nfs/dbraw/zinc/22/50/99/1194225099.db2.gz GYVLJCMXWBSWJC-RBUKOAKNSA-N 3 2 385.516 0.793 20 0 GCADLP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCO1 ZINC000420382419 1194225207 /nfs/dbraw/zinc/22/52/07/1194225207.db2.gz DLJDVAULOBGRPA-KRWDZBQOSA-N 2 2 399.513 0.136 20 0 GCADLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCO1 ZINC000420382419 1194225209 /nfs/dbraw/zinc/22/52/09/1194225209.db2.gz DLJDVAULOBGRPA-KRWDZBQOSA-N 2 2 399.513 0.136 20 0 GCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000420389146 1194225924 /nfs/dbraw/zinc/22/59/24/1194225924.db2.gz NOYCNKQFVLDSPG-KRWDZBQOSA-N 2 2 396.557 0.758 20 0 GCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000420389146 1194225927 /nfs/dbraw/zinc/22/59/27/1194225927.db2.gz NOYCNKQFVLDSPG-KRWDZBQOSA-N 2 2 396.557 0.758 20 0 GCADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)NCCCc1ccccc1 ZINC000420395019 1194226344 /nfs/dbraw/zinc/22/63/44/1194226344.db2.gz BKICEZWKDSCORQ-VQTJNVASSA-N 2 2 399.539 0.956 20 0 GCADLP O=C(C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)NCCCc1ccccc1 ZINC000420395019 1194226350 /nfs/dbraw/zinc/22/63/50/1194226350.db2.gz BKICEZWKDSCORQ-VQTJNVASSA-N 2 2 399.539 0.956 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421226503 1194311787 /nfs/dbraw/zinc/31/17/87/1194311787.db2.gz ORWVDTKSWDPLOS-ROUUACIJSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421226503 1194311792 /nfs/dbraw/zinc/31/17/92/1194311792.db2.gz ORWVDTKSWDPLOS-ROUUACIJSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCN(C)CC1 ZINC000421249661 1194317527 /nfs/dbraw/zinc/31/75/27/1194317527.db2.gz MLLFZNRAXALBOB-MSOLQXFVSA-N 2 2 381.565 0.316 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCN(C)CC1 ZINC000421249661 1194317532 /nfs/dbraw/zinc/31/75/32/1194317532.db2.gz MLLFZNRAXALBOB-MSOLQXFVSA-N 2 2 381.565 0.316 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000549953594 1194326941 /nfs/dbraw/zinc/32/69/41/1194326941.db2.gz NSISELYQHRQYAN-IAGOWNOFSA-N 2 2 392.544 0.879 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000549953594 1194326947 /nfs/dbraw/zinc/32/69/47/1194326947.db2.gz NSISELYQHRQYAN-IAGOWNOFSA-N 2 2 392.544 0.879 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000549953593 1194327036 /nfs/dbraw/zinc/32/70/36/1194327036.db2.gz NSISELYQHRQYAN-DLBZAZTESA-N 2 2 392.544 0.879 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000549953593 1194327038 /nfs/dbraw/zinc/32/70/38/1194327038.db2.gz NSISELYQHRQYAN-DLBZAZTESA-N 2 2 392.544 0.879 20 0 GCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000502854274 1194362625 /nfs/dbraw/zinc/36/26/25/1194362625.db2.gz DCSLZHQPDBUPLN-RTBURBONSA-N 2 2 388.512 0.844 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CN(C)CC(=O)NC(C)C)CC2)CC1 ZINC000422014751 1194376059 /nfs/dbraw/zinc/37/60/59/1194376059.db2.gz ZQEUUYQDRZXMIA-UHFFFAOYSA-N 2 2 381.565 0.461 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CN(C)CC(=O)NC(C)C)CC2)CC1 ZINC000422014751 1194376061 /nfs/dbraw/zinc/37/60/61/1194376061.db2.gz ZQEUUYQDRZXMIA-UHFFFAOYSA-N 2 2 381.565 0.461 20 0 GCADLP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)CC1 ZINC000422102381 1194385049 /nfs/dbraw/zinc/38/50/49/1194385049.db2.gz QYSUAHIZCJQHPL-KRWDZBQOSA-N 2 2 390.532 0.406 20 0 GCADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1cccc(OC)c1 ZINC000272283178 1194446446 /nfs/dbraw/zinc/44/64/46/1194446446.db2.gz DEHHXEUIEXBXIA-SJORKVTESA-N 2 2 385.530 0.956 20 0 GCADLP CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000545915035 1194515689 /nfs/dbraw/zinc/51/56/89/1194515689.db2.gz RSNJJJPPBVPLHN-QZTJIDSGSA-N 2 2 391.578 0.765 20 0 GCADLP CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000545915035 1194515691 /nfs/dbraw/zinc/51/56/91/1194515691.db2.gz RSNJJJPPBVPLHN-QZTJIDSGSA-N 2 2 391.578 0.765 20 0 GCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC([NH+](C)C)C1 ZINC000273502449 1194567466 /nfs/dbraw/zinc/56/74/66/1194567466.db2.gz RAHVGMWAWXRKAW-UHFFFAOYSA-N 2 2 375.473 0.861 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000422306306 1194604991 /nfs/dbraw/zinc/60/49/91/1194604991.db2.gz YZHAOVGSPZMEOK-MJGOQNOKSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000422306306 1194604994 /nfs/dbraw/zinc/60/49/94/1194604994.db2.gz YZHAOVGSPZMEOK-MJGOQNOKSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000422306306 1194604998 /nfs/dbraw/zinc/60/49/98/1194604998.db2.gz YZHAOVGSPZMEOK-MJGOQNOKSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000422306306 1194605007 /nfs/dbraw/zinc/60/50/07/1194605007.db2.gz YZHAOVGSPZMEOK-MJGOQNOKSA-N 2 2 388.512 0.556 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000422374133 1194625675 /nfs/dbraw/zinc/62/56/75/1194625675.db2.gz FGHANRRBUMAARI-QGZVFWFLSA-N 2 2 398.548 0.173 20 0 GCADLP CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000422442597 1194641368 /nfs/dbraw/zinc/64/13/68/1194641368.db2.gz QMCQDFPIOVIGSN-QZTJIDSGSA-N 2 2 382.549 0.935 20 0 GCADLP CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000422442597 1194641369 /nfs/dbraw/zinc/64/13/69/1194641369.db2.gz QMCQDFPIOVIGSN-QZTJIDSGSA-N 2 2 382.549 0.935 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)c1cccnc1 ZINC000422552512 1194668276 /nfs/dbraw/zinc/66/82/76/1194668276.db2.gz QJTZWFWYTJMVOO-UHFFFAOYSA-N 2 2 389.544 0.960 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)c1cccnc1 ZINC000422552512 1194668279 /nfs/dbraw/zinc/66/82/79/1194668279.db2.gz QJTZWFWYTJMVOO-UHFFFAOYSA-N 2 2 389.544 0.960 20 0 GCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000422725444 1194694809 /nfs/dbraw/zinc/69/48/09/1194694809.db2.gz YAIUFIVGYZFNDO-OALUTQOASA-N 2 2 377.485 0.781 20 0 GCADLP O=C1CCc2cc(OC[C@H](O)C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)ccc2N1 ZINC000422905800 1194706370 /nfs/dbraw/zinc/70/63/70/1194706370.db2.gz SVEBSZSFKJSEIZ-XFQXTVEOSA-N 2 2 375.469 0.668 20 0 GCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000423032700 1194720182 /nfs/dbraw/zinc/72/01/82/1194720182.db2.gz NAEHXSHMZLBZJH-INIZCTEOSA-N 2 2 388.516 0.625 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000423064907 1194723277 /nfs/dbraw/zinc/72/32/77/1194723277.db2.gz ZVQGFYIFNICXQA-KRWDZBQOSA-N 2 2 380.533 0.404 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000423077860 1194725749 /nfs/dbraw/zinc/72/57/49/1194725749.db2.gz NBBBLTKEGMRBIU-KRWDZBQOSA-N 2 2 397.564 0.221 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000423077860 1194725751 /nfs/dbraw/zinc/72/57/51/1194725751.db2.gz NBBBLTKEGMRBIU-KRWDZBQOSA-N 2 2 397.564 0.221 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000423256038 1194743914 /nfs/dbraw/zinc/74/39/14/1194743914.db2.gz DGCIXRPQFXUXLB-MRXNPFEDSA-N 2 2 376.501 0.968 20 0 GCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000423258238 1194744223 /nfs/dbraw/zinc/74/42/23/1194744223.db2.gz LVHCRWONXFNXDV-IAGOWNOFSA-N 2 2 388.512 0.968 20 0 GCADLP Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000414728991 1194745699 /nfs/dbraw/zinc/74/56/99/1194745699.db2.gz DRQCPEBCYJQECK-KRWDZBQOSA-N 2 2 394.541 0.499 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423300018 1194748018 /nfs/dbraw/zinc/74/80/18/1194748018.db2.gz QVSMOODUUCYLJU-AZUAARDMSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423300018 1194748019 /nfs/dbraw/zinc/74/80/19/1194748019.db2.gz QVSMOODUUCYLJU-AZUAARDMSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423300019 1194748200 /nfs/dbraw/zinc/74/82/00/1194748200.db2.gz QVSMOODUUCYLJU-ICSRJNTNSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423300019 1194748202 /nfs/dbraw/zinc/74/82/02/1194748202.db2.gz QVSMOODUUCYLJU-ICSRJNTNSA-N 2 2 399.539 0.225 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000423358140 1194750975 /nfs/dbraw/zinc/75/09/75/1194750975.db2.gz BACAHQYOCMPLIR-SFHVURJKSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423497991 1194759657 /nfs/dbraw/zinc/75/96/57/1194759657.db2.gz AUWRMCGUFMPEKK-NJAFHUGGSA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423497991 1194759660 /nfs/dbraw/zinc/75/96/60/1194759660.db2.gz AUWRMCGUFMPEKK-NJAFHUGGSA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423497993 1194759726 /nfs/dbraw/zinc/75/97/26/1194759726.db2.gz AUWRMCGUFMPEKK-RYQLBKOJSA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423497993 1194759729 /nfs/dbraw/zinc/75/97/29/1194759729.db2.gz AUWRMCGUFMPEKK-RYQLBKOJSA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423497989 1194759788 /nfs/dbraw/zinc/75/97/88/1194759788.db2.gz AUWRMCGUFMPEKK-JQHSSLGASA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423497989 1194759791 /nfs/dbraw/zinc/75/97/91/1194759791.db2.gz AUWRMCGUFMPEKK-JQHSSLGASA-N 3 2 379.549 0.342 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423528516 1194760988 /nfs/dbraw/zinc/76/09/88/1194760988.db2.gz NKDDLLNERRLJBB-MOPGFXCFSA-N 3 2 395.592 0.850 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423528516 1194760991 /nfs/dbraw/zinc/76/09/91/1194760991.db2.gz NKDDLLNERRLJBB-MOPGFXCFSA-N 3 2 395.592 0.850 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423612301 1194773559 /nfs/dbraw/zinc/77/35/59/1194773559.db2.gz PIPHHKKABHCRMX-QUCCMNQESA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000423612301 1194773561 /nfs/dbraw/zinc/77/35/61/1194773561.db2.gz PIPHHKKABHCRMX-QUCCMNQESA-N 2 2 399.539 0.225 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983227546 1194774366 /nfs/dbraw/zinc/77/43/66/1194774366.db2.gz MZYBKIAIDTZVJN-KLHDSHLOSA-N 2 2 377.489 0.272 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983227546 1194774367 /nfs/dbraw/zinc/77/43/67/1194774367.db2.gz MZYBKIAIDTZVJN-KLHDSHLOSA-N 2 2 377.489 0.272 20 0 GCADLP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)[C@H](C[NH3+])C1 ZINC000423668215 1194782415 /nfs/dbraw/zinc/78/24/15/1194782415.db2.gz JWRLIPRXSGKMFE-OALUTQOASA-N 2 2 388.512 0.604 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727809 1194789921 /nfs/dbraw/zinc/78/99/21/1194789921.db2.gz KXYULZVLZCNIIB-ZSYWTGECSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727809 1194789923 /nfs/dbraw/zinc/78/99/23/1194789923.db2.gz KXYULZVLZCNIIB-ZSYWTGECSA-N 2 2 394.560 0.935 20 0 GCADLP COC[C@@]1(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC[NH2+]C1 ZINC000423814957 1194794193 /nfs/dbraw/zinc/79/41/93/1194794193.db2.gz VDHFCBGWWUOIAM-HXUWFJFHSA-N 2 2 377.485 0.844 20 0 GCADLP COc1cccc(OCC[NH+]2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)c1 ZINC000423812290 1194794344 /nfs/dbraw/zinc/79/43/44/1194794344.db2.gz QUAKRTZGMNFPTA-UHFFFAOYSA-N 2 2 388.472 0.472 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1F ZINC000424539670 1194821796 /nfs/dbraw/zinc/82/17/96/1194821796.db2.gz CTALTEIXVWRVDB-AWEZNQCLSA-N 2 2 386.418 0.865 20 0 GCADLP CC[N@H+](Cc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)cc1)C1CC1 ZINC000434650961 1194857611 /nfs/dbraw/zinc/85/76/11/1194857611.db2.gz AKWYJUVYIIRNSK-IBGZPJMESA-N 2 2 388.512 0.929 20 0 GCADLP CC[N@@H+](Cc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)cc1)C1CC1 ZINC000434650961 1194857612 /nfs/dbraw/zinc/85/76/12/1194857612.db2.gz AKWYJUVYIIRNSK-IBGZPJMESA-N 2 2 388.512 0.929 20 0 GCADLP CC[NH+](Cc1ccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1)C1CC1 ZINC000434650961 1194857615 /nfs/dbraw/zinc/85/76/15/1194857615.db2.gz AKWYJUVYIIRNSK-IBGZPJMESA-N 2 2 388.512 0.929 20 0 GCADLP CC[NH+](Cc1ccc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1)C1CC1 ZINC000434650961 1194857617 /nfs/dbraw/zinc/85/76/17/1194857617.db2.gz AKWYJUVYIIRNSK-IBGZPJMESA-N 2 2 388.512 0.929 20 0 GCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000435132073 1194891735 /nfs/dbraw/zinc/89/17/35/1194891735.db2.gz HDFQRZJQPMBFDG-IAGOWNOFSA-N 2 2 381.521 0.078 20 0 GCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000435132073 1194891738 /nfs/dbraw/zinc/89/17/38/1194891738.db2.gz HDFQRZJQPMBFDG-IAGOWNOFSA-N 2 2 381.521 0.078 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000435132073 1194891741 /nfs/dbraw/zinc/89/17/41/1194891741.db2.gz HDFQRZJQPMBFDG-IAGOWNOFSA-N 2 2 381.521 0.078 20 0 GCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000435132073 1194891744 /nfs/dbraw/zinc/89/17/44/1194891744.db2.gz HDFQRZJQPMBFDG-IAGOWNOFSA-N 2 2 381.521 0.078 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664475107 1194895786 /nfs/dbraw/zinc/89/57/86/1194895786.db2.gz MUXQLRROSWEWMG-IPMKNSEASA-N 2 2 380.533 0.870 20 0 GCADLP CCNC(=O)COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000435389167 1194926458 /nfs/dbraw/zinc/92/64/58/1194926458.db2.gz JOWBEXGDCRTKLE-UHFFFAOYSA-N 2 2 378.473 0.074 20 0 GCADLP CCNC(=O)COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000435389167 1194926459 /nfs/dbraw/zinc/92/64/59/1194926459.db2.gz JOWBEXGDCRTKLE-UHFFFAOYSA-N 2 2 378.473 0.074 20 0 GCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](CCc4ccccc4)CC3)[C@@H]2C1 ZINC000425374689 1194926949 /nfs/dbraw/zinc/92/69/49/1194926949.db2.gz QMIJHSLMAPARTQ-VQTJNVASSA-N 2 2 384.524 0.926 20 0 GCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](CCc4ccccc4)CC3)[C@@H]2C1 ZINC000425374689 1194926950 /nfs/dbraw/zinc/92/69/50/1194926950.db2.gz QMIJHSLMAPARTQ-VQTJNVASSA-N 2 2 384.524 0.926 20 0 GCADLP Cn1cc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000435422513 1194930459 /nfs/dbraw/zinc/93/04/59/1194930459.db2.gz ONQRZESYNHBDPJ-CQSZACIVSA-N 2 2 375.498 0.685 20 0 GCADLP Cn1cc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000435422513 1194930460 /nfs/dbraw/zinc/93/04/60/1194930460.db2.gz ONQRZESYNHBDPJ-CQSZACIVSA-N 2 2 375.498 0.685 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425385816 1194936383 /nfs/dbraw/zinc/93/63/83/1194936383.db2.gz LDXXAZGTMOCCDO-FUHWJXTLSA-N 3 2 379.549 0.023 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425385816 1194936386 /nfs/dbraw/zinc/93/63/86/1194936386.db2.gz LDXXAZGTMOCCDO-FUHWJXTLSA-N 3 2 379.549 0.023 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425385816 1194936388 /nfs/dbraw/zinc/93/63/88/1194936388.db2.gz LDXXAZGTMOCCDO-FUHWJXTLSA-N 3 2 379.549 0.023 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425385816 1194936390 /nfs/dbraw/zinc/93/63/90/1194936390.db2.gz LDXXAZGTMOCCDO-FUHWJXTLSA-N 3 2 379.549 0.023 20 0 GCADLP C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435616029 1194947211 /nfs/dbraw/zinc/94/72/11/1194947211.db2.gz QZZAQSKJHKJDON-LJQANCHMSA-N 2 2 388.512 0.849 20 0 GCADLP C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435616029 1194947214 /nfs/dbraw/zinc/94/72/14/1194947214.db2.gz QZZAQSKJHKJDON-LJQANCHMSA-N 2 2 388.512 0.849 20 0 GCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436064627 1194983582 /nfs/dbraw/zinc/98/35/82/1194983582.db2.gz ZXHYVXGAHQJYHJ-OAGGEKHMSA-N 2 2 381.521 0.710 20 0 GCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436064627 1194983584 /nfs/dbraw/zinc/98/35/84/1194983584.db2.gz ZXHYVXGAHQJYHJ-OAGGEKHMSA-N 2 2 381.521 0.710 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCOC4(CC[NH+](C)CC4)C3)C2)CC1 ZINC000645295629 1194994160 /nfs/dbraw/zinc/99/41/60/1194994160.db2.gz YRUXUBOGOLILBI-QGZVFWFLSA-N 3 2 379.549 0.661 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCOC4(CC[NH+](C)CC4)C3)C2)CC1 ZINC000645295629 1194994164 /nfs/dbraw/zinc/99/41/64/1194994164.db2.gz YRUXUBOGOLILBI-QGZVFWFLSA-N 3 2 379.549 0.661 20 0 GCADLP COc1ccc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000436277607 1194994997 /nfs/dbraw/zinc/99/49/97/1194994997.db2.gz YIEZAFZRGGUAHV-UHFFFAOYSA-N 2 2 391.497 0.727 20 0 GCADLP C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000515953659 1195011523 /nfs/dbraw/zinc/01/15/23/1195011523.db2.gz DNKZPTCUEXYZHV-UHFFFAOYSA-N 2 2 387.484 0.096 20 0 GCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000287611473 1195036381 /nfs/dbraw/zinc/03/63/81/1195036381.db2.gz YVFXRWQSRZLQBE-RTBURBONSA-N 2 2 387.528 0.915 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000425656324 1195051383 /nfs/dbraw/zinc/05/13/83/1195051383.db2.gz SAIKMYBDGMMTCA-UHFFFAOYSA-N 2 2 394.520 0.790 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000288362380 1195057299 /nfs/dbraw/zinc/05/72/99/1195057299.db2.gz ULICLTAYIKSLLL-IEBWSBKVSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000288362380 1195057303 /nfs/dbraw/zinc/05/73/03/1195057303.db2.gz ULICLTAYIKSLLL-IEBWSBKVSA-N 2 2 388.512 0.556 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000516746619 1195091696 /nfs/dbraw/zinc/09/16/96/1195091696.db2.gz MYPZQOHHEAPFNR-SFHVURJKSA-N 2 2 380.533 0.450 20 0 GCADLP CCC[NH2+][C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000516766385 1195092511 /nfs/dbraw/zinc/09/25/11/1195092511.db2.gz SSGSVWRFGUGAHC-HNNXBMFYSA-N 2 2 383.518 0.038 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000516915423 1195112110 /nfs/dbraw/zinc/11/21/10/1195112110.db2.gz HMMBJQCCAGNAHC-ZWKOTPCHSA-N 2 2 382.549 0.840 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000437461298 1195112783 /nfs/dbraw/zinc/11/27/83/1195112783.db2.gz JXGJVYDCMNUTMP-UHFFFAOYSA-N 2 2 375.473 0.208 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000437461298 1195112787 /nfs/dbraw/zinc/11/27/87/1195112787.db2.gz JXGJVYDCMNUTMP-UHFFFAOYSA-N 2 2 375.473 0.208 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000517133286 1195140137 /nfs/dbraw/zinc/14/01/37/1195140137.db2.gz BGAZKTUDEPMJMO-SFHVURJKSA-N 2 2 390.532 0.824 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000517133286 1195140139 /nfs/dbraw/zinc/14/01/39/1195140139.db2.gz BGAZKTUDEPMJMO-SFHVURJKSA-N 2 2 390.532 0.824 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000517136656 1195140799 /nfs/dbraw/zinc/14/07/99/1195140799.db2.gz PSPHYECHCFMICX-IAGOWNOFSA-N 2 2 383.537 0.291 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000517250362 1195164768 /nfs/dbraw/zinc/16/47/68/1195164768.db2.gz UNWVPYZXHLTJBG-QYZOEREBSA-N 2 2 394.560 0.935 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000517250362 1195164769 /nfs/dbraw/zinc/16/47/69/1195164769.db2.gz UNWVPYZXHLTJBG-QYZOEREBSA-N 2 2 394.560 0.935 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000425911023 1195165468 /nfs/dbraw/zinc/16/54/68/1195165468.db2.gz ZUGQJGSNEHONOG-QGZVFWFLSA-N 2 2 380.533 0.689 20 0 GCADLP C[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438339557 1195207912 /nfs/dbraw/zinc/20/79/12/1195207912.db2.gz SWBPACYOEYSCST-SJORKVTESA-N 2 2 378.521 1.457 20 0 GCADLP C[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000438339557 1195207918 /nfs/dbraw/zinc/20/79/18/1195207918.db2.gz SWBPACYOEYSCST-SJORKVTESA-N 2 2 378.521 1.457 20 0 GCADLP C[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000438339556 1195208204 /nfs/dbraw/zinc/20/82/04/1195208204.db2.gz SWBPACYOEYSCST-IRXDYDNUSA-N 2 2 378.521 1.457 20 0 GCADLP C[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCC[C@H](C)C1 ZINC000438339556 1195208207 /nfs/dbraw/zinc/20/82/07/1195208207.db2.gz SWBPACYOEYSCST-IRXDYDNUSA-N 2 2 378.521 1.457 20 0 GCADLP C[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438339555 1195208315 /nfs/dbraw/zinc/20/83/15/1195208315.db2.gz SWBPACYOEYSCST-IAGOWNOFSA-N 2 2 378.521 1.457 20 0 GCADLP C[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000438339555 1195208319 /nfs/dbraw/zinc/20/83/19/1195208319.db2.gz SWBPACYOEYSCST-IAGOWNOFSA-N 2 2 378.521 1.457 20 0 GCADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)ccc1OCC(=O)N1CCCC1 ZINC000414980234 1195284214 /nfs/dbraw/zinc/28/42/14/1195284214.db2.gz VNONPKIYTUKWSF-QGZVFWFLSA-N 2 2 376.501 0.690 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)C[C@@H](C)O1 ZINC000518511717 1195299090 /nfs/dbraw/zinc/29/90/90/1195299090.db2.gz XONVEQYUGCWYFZ-QRVBRYPASA-N 2 2 382.549 0.087 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C[C@@H](C)O1 ZINC000518511717 1195299094 /nfs/dbraw/zinc/29/90/94/1195299094.db2.gz XONVEQYUGCWYFZ-QRVBRYPASA-N 2 2 382.549 0.087 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715731 1195324544 /nfs/dbraw/zinc/32/45/44/1195324544.db2.gz NRIUABVCHNWBOA-WNHJNPCNSA-N 2 2 386.496 0.355 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715731 1195324550 /nfs/dbraw/zinc/32/45/50/1195324550.db2.gz NRIUABVCHNWBOA-WNHJNPCNSA-N 2 2 386.496 0.355 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715731 1195324554 /nfs/dbraw/zinc/32/45/54/1195324554.db2.gz NRIUABVCHNWBOA-WNHJNPCNSA-N 2 2 386.496 0.355 20 0 GCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715731 1195324558 /nfs/dbraw/zinc/32/45/58/1195324558.db2.gz NRIUABVCHNWBOA-WNHJNPCNSA-N 2 2 386.496 0.355 20 0 GCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439682810 1195340988 /nfs/dbraw/zinc/34/09/88/1195340988.db2.gz GDLUHGAYEUICEE-RBUKOAKNSA-N 2 2 394.560 0.794 20 0 GCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439682810 1195340992 /nfs/dbraw/zinc/34/09/92/1195340992.db2.gz GDLUHGAYEUICEE-RBUKOAKNSA-N 2 2 394.560 0.794 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000297905316 1195350745 /nfs/dbraw/zinc/35/07/45/1195350745.db2.gz WLXNMLGAACVTPQ-UHFFFAOYSA-N 2 2 380.537 0.382 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000297905316 1195350747 /nfs/dbraw/zinc/35/07/47/1195350747.db2.gz WLXNMLGAACVTPQ-UHFFFAOYSA-N 2 2 380.537 0.382 20 0 GCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000519208565 1195380739 /nfs/dbraw/zinc/38/07/39/1195380739.db2.gz AIBXDWJCLFQMHM-GBESFXJTSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000519208565 1195380740 /nfs/dbraw/zinc/38/07/40/1195380740.db2.gz AIBXDWJCLFQMHM-GBESFXJTSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000440266091 1195398382 /nfs/dbraw/zinc/39/83/82/1195398382.db2.gz CNKARBDFWKZCQM-CYBMUJFWSA-N 2 2 389.456 0.257 20 0 GCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000440266091 1195398387 /nfs/dbraw/zinc/39/83/87/1195398387.db2.gz CNKARBDFWKZCQM-CYBMUJFWSA-N 2 2 389.456 0.257 20 0 GCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000440293113 1195403139 /nfs/dbraw/zinc/40/31/39/1195403139.db2.gz LSHYGVLTFRKHDG-AWEZNQCLSA-N 2 2 375.473 0.656 20 0 GCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000440293113 1195403141 /nfs/dbraw/zinc/40/31/41/1195403141.db2.gz LSHYGVLTFRKHDG-AWEZNQCLSA-N 2 2 375.473 0.656 20 0 GCADLP CCOC1CC(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)([NH+]2CCOCC2)C1 ZINC000894463868 1195428720 /nfs/dbraw/zinc/42/87/20/1195428720.db2.gz AWXWBDKUQDKZHS-AILXTGBUSA-N 2 2 380.533 0.849 20 0 GCADLP CCOC1CC(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)([NH+]2CCOCC2)C1 ZINC000894463868 1195428722 /nfs/dbraw/zinc/42/87/22/1195428722.db2.gz AWXWBDKUQDKZHS-AILXTGBUSA-N 2 2 380.533 0.849 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000550096142 1195435275 /nfs/dbraw/zinc/43/52/75/1195435275.db2.gz VCDWZOFZLYGICB-SJORKVTESA-N 2 2 377.489 0.347 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000550096142 1195435277 /nfs/dbraw/zinc/43/52/77/1195435277.db2.gz VCDWZOFZLYGICB-SJORKVTESA-N 2 2 377.489 0.347 20 0 GCADLP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550129781 1195445052 /nfs/dbraw/zinc/44/50/52/1195445052.db2.gz OYLJPVASPYQZCA-GOSISDBHSA-N 2 2 382.549 0.840 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCOCC1 ZINC000550278866 1195480497 /nfs/dbraw/zinc/48/04/97/1195480497.db2.gz PQXBGBNOJHQGME-RBUKOAKNSA-N 2 2 394.560 0.650 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCOCC1 ZINC000550278866 1195480499 /nfs/dbraw/zinc/48/04/99/1195480499.db2.gz PQXBGBNOJHQGME-RBUKOAKNSA-N 2 2 394.560 0.650 20 0 GCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3C[NH2+]CCC3(F)F)ccn2)CC1 ZINC000519589184 1195493601 /nfs/dbraw/zinc/49/36/01/1195493601.db2.gz XDZXKGURYJLSOP-AWEZNQCLSA-N 2 2 382.415 0.588 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000519666865 1195562962 /nfs/dbraw/zinc/56/29/62/1195562962.db2.gz UXFKXXISEXLGGG-CALCHBBNSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000519666865 1195562965 /nfs/dbraw/zinc/56/29/65/1195562965.db2.gz UXFKXXISEXLGGG-CALCHBBNSA-N 2 2 382.549 0.792 20 0 GCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000519690150 1195565005 /nfs/dbraw/zinc/56/50/05/1195565005.db2.gz FJWURNACBUNAMI-UHFFFAOYSA-N 2 2 382.549 0.936 20 0 GCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000519690150 1195565007 /nfs/dbraw/zinc/56/50/07/1195565007.db2.gz FJWURNACBUNAMI-UHFFFAOYSA-N 2 2 382.549 0.936 20 0 GCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000550342393 1195636677 /nfs/dbraw/zinc/63/66/77/1195636677.db2.gz FEFSCDSFGJQRPZ-QGZVFWFLSA-N 2 2 380.533 0.690 20 0 GCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000550342393 1195636679 /nfs/dbraw/zinc/63/66/79/1195636679.db2.gz FEFSCDSFGJQRPZ-QGZVFWFLSA-N 2 2 380.533 0.690 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000550343956 1195638731 /nfs/dbraw/zinc/63/87/31/1195638731.db2.gz ZVHFRHYCOVGQIU-DLBZAZTESA-N 2 2 391.516 0.285 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000550343956 1195638734 /nfs/dbraw/zinc/63/87/34/1195638734.db2.gz ZVHFRHYCOVGQIU-DLBZAZTESA-N 2 2 391.516 0.285 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355078 1195641418 /nfs/dbraw/zinc/64/14/18/1195641418.db2.gz BITMEWPASLTQLK-MSOLQXFVSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355078 1195641419 /nfs/dbraw/zinc/64/14/19/1195641419.db2.gz BITMEWPASLTQLK-MSOLQXFVSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000550361401 1195645520 /nfs/dbraw/zinc/64/55/20/1195645520.db2.gz FDPNUHIVJGKODN-KSZLIROESA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000550361401 1195645524 /nfs/dbraw/zinc/64/55/24/1195645524.db2.gz FDPNUHIVJGKODN-KSZLIROESA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550362271 1195645767 /nfs/dbraw/zinc/64/57/67/1195645767.db2.gz LDXRQAQFQNZTJP-XYJFISCASA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550362271 1195645769 /nfs/dbraw/zinc/64/57/69/1195645769.db2.gz LDXRQAQFQNZTJP-XYJFISCASA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000550380840 1195648593 /nfs/dbraw/zinc/64/85/93/1195648593.db2.gz BCISTMWMUYWCLI-MOPGFXCFSA-N 2 2 395.592 0.611 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000550383557 1195651638 /nfs/dbraw/zinc/65/16/38/1195651638.db2.gz MIVOLAJOZNYYEU-MOPGFXCFSA-N 2 2 393.576 0.461 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383749 1195651811 /nfs/dbraw/zinc/65/18/11/1195651811.db2.gz RYWHLHVYUJIJQI-ZWKOTPCHSA-N 2 2 381.565 0.173 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383749 1195651813 /nfs/dbraw/zinc/65/18/13/1195651813.db2.gz RYWHLHVYUJIJQI-ZWKOTPCHSA-N 2 2 381.565 0.173 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1cccs1 ZINC000550385446 1195653507 /nfs/dbraw/zinc/65/35/07/1195653507.db2.gz HDHNTEITOJAPMQ-AWEZNQCLSA-N 2 2 382.530 0.382 20 0 GCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188945986 1195741463 /nfs/dbraw/zinc/74/14/63/1195741463.db2.gz NMBKWBQJPBIQHP-QZTJIDSGSA-N 2 2 383.581 0.747 20 0 GCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188945986 1195741465 /nfs/dbraw/zinc/74/14/65/1195741465.db2.gz NMBKWBQJPBIQHP-QZTJIDSGSA-N 2 2 383.581 0.747 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N(C)CC[NH3+])cc2)CC1 ZINC000417467769 1195750799 /nfs/dbraw/zinc/75/07/99/1195750799.db2.gz MVRCIADKKMIPJF-UHFFFAOYSA-N 2 2 391.516 0.372 20 0 GCADLP CCC[NH2+]CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417616178 1195793008 /nfs/dbraw/zinc/79/30/08/1195793008.db2.gz DGZIKKPWTHKFNG-MRXNPFEDSA-N 2 2 391.520 0.581 20 0 GCADLP CCC[NH2+]CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417616178 1195793011 /nfs/dbraw/zinc/79/30/11/1195793011.db2.gz DGZIKKPWTHKFNG-MRXNPFEDSA-N 2 2 391.520 0.581 20 0 GCADLP CCN(CC)C(=O)CN1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000520590066 1195793460 /nfs/dbraw/zinc/79/34/60/1195793460.db2.gz RAJYFCZJLGIZTA-PMACEKPBSA-N 2 2 376.545 0.793 20 0 GCADLP CCN(CC)C(=O)CN1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000520590066 1195793464 /nfs/dbraw/zinc/79/34/64/1195793464.db2.gz RAJYFCZJLGIZTA-PMACEKPBSA-N 2 2 376.545 0.793 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428027783 1195905655 /nfs/dbraw/zinc/90/56/55/1195905655.db2.gz BVUVELKJXZHFEA-KMFMINBZSA-N 2 2 380.514 0.065 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428027783 1195905657 /nfs/dbraw/zinc/90/56/57/1195905657.db2.gz BVUVELKJXZHFEA-KMFMINBZSA-N 2 2 380.514 0.065 20 0 GCADLP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508223855 1195909788 /nfs/dbraw/zinc/90/97/88/1195909788.db2.gz HXONDBOXUKIFNM-GOSISDBHSA-N 2 2 380.533 0.549 20 0 GCADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001270979065 1195928804 /nfs/dbraw/zinc/92/88/04/1195928804.db2.gz ZECAXGUFXDAVPX-OKILXGFUSA-N 2 2 379.530 0.218 20 0 GCADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001270979065 1195928807 /nfs/dbraw/zinc/92/88/07/1195928807.db2.gz ZECAXGUFXDAVPX-OKILXGFUSA-N 2 2 379.530 0.218 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000442167147 1195959355 /nfs/dbraw/zinc/95/93/55/1195959355.db2.gz XSQCHJABIWOGPX-VQIMIIECSA-N 2 2 387.528 0.971 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@H+]1C ZINC000442167147 1195959358 /nfs/dbraw/zinc/95/93/58/1195959358.db2.gz XSQCHJABIWOGPX-VQIMIIECSA-N 2 2 387.528 0.971 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000521218180 1195979487 /nfs/dbraw/zinc/97/94/87/1195979487.db2.gz CMRNYIULROGXRL-ROUUACIJSA-N 2 2 387.528 0.429 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000521233331 1195981024 /nfs/dbraw/zinc/98/10/24/1195981024.db2.gz FVBAYFLFUOSQRH-SFHVURJKSA-N 2 2 382.549 0.936 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000521233331 1195981025 /nfs/dbraw/zinc/98/10/25/1195981025.db2.gz FVBAYFLFUOSQRH-SFHVURJKSA-N 2 2 382.549 0.936 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000442620675 1195997029 /nfs/dbraw/zinc/99/70/29/1195997029.db2.gz JOVXFGKKAFMLAS-UHFFFAOYSA-N 3 2 382.597 0.680 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000442620675 1195997032 /nfs/dbraw/zinc/99/70/32/1195997032.db2.gz JOVXFGKKAFMLAS-UHFFFAOYSA-N 3 2 382.597 0.680 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442620675 1195997034 /nfs/dbraw/zinc/99/70/34/1195997034.db2.gz JOVXFGKKAFMLAS-UHFFFAOYSA-N 3 2 382.597 0.680 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442620675 1195997035 /nfs/dbraw/zinc/99/70/35/1195997035.db2.gz JOVXFGKKAFMLAS-UHFFFAOYSA-N 3 2 382.597 0.680 20 0 GCADLP CCOCC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000442732745 1196000302 /nfs/dbraw/zinc/00/03/02/1196000302.db2.gz AFIWFWFAXNBRTG-UHFFFAOYSA-N 2 2 380.533 0.500 20 0 GCADLP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000443067886 1196017719 /nfs/dbraw/zinc/01/77/19/1196017719.db2.gz HAQDGCYRORZAKW-GVDBMIGSSA-N 2 2 387.546 0.242 20 0 GCADLP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000443067886 1196017723 /nfs/dbraw/zinc/01/77/23/1196017723.db2.gz HAQDGCYRORZAKW-GVDBMIGSSA-N 2 2 387.546 0.242 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443059353 1196018438 /nfs/dbraw/zinc/01/84/38/1196018438.db2.gz MNNJHJIAZWEVJH-OAHLLOKOSA-N 3 2 386.504 0.073 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443059353 1196018444 /nfs/dbraw/zinc/01/84/44/1196018444.db2.gz MNNJHJIAZWEVJH-OAHLLOKOSA-N 3 2 386.504 0.073 20 0 GCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000522179903 1196053743 /nfs/dbraw/zinc/05/37/43/1196053743.db2.gz GSBRKUQCRXVEAL-LJQANCHMSA-N 2 2 387.528 0.964 20 0 GCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000522179903 1196053745 /nfs/dbraw/zinc/05/37/45/1196053745.db2.gz GSBRKUQCRXVEAL-LJQANCHMSA-N 2 2 387.528 0.964 20 0 GCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000522179903 1196053746 /nfs/dbraw/zinc/05/37/46/1196053746.db2.gz GSBRKUQCRXVEAL-LJQANCHMSA-N 2 2 387.528 0.964 20 0 GCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000522179903 1196053748 /nfs/dbraw/zinc/05/37/48/1196053748.db2.gz GSBRKUQCRXVEAL-LJQANCHMSA-N 2 2 387.528 0.964 20 0 GCADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000191519255 1196087314 /nfs/dbraw/zinc/08/73/14/1196087314.db2.gz LDDXSEBOVKHFBV-ZDUSSCGKSA-N 2 2 390.488 0.409 20 0 GCADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000191519255 1196087317 /nfs/dbraw/zinc/08/73/17/1196087317.db2.gz LDDXSEBOVKHFBV-ZDUSSCGKSA-N 2 2 390.488 0.409 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](CC)C[C@@H]3C)[nH]n2)[C@H](C)C1 ZINC000614708754 1196091201 /nfs/dbraw/zinc/09/12/01/1196091201.db2.gz AWGIRMUZKZIABQ-GASCZTMLSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](CC)C[C@@H]3C)[nH]n2)[C@H](C)C1 ZINC000614708754 1196091203 /nfs/dbraw/zinc/09/12/03/1196091203.db2.gz AWGIRMUZKZIABQ-GASCZTMLSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](CC)C[C@H]3C)n[nH]2)[C@@H](C)C1 ZINC000614708754 1196091205 /nfs/dbraw/zinc/09/12/05/1196091205.db2.gz AWGIRMUZKZIABQ-GASCZTMLSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](CC)C[C@H]3C)n[nH]2)[C@@H](C)C1 ZINC000614708754 1196091207 /nfs/dbraw/zinc/09/12/07/1196091207.db2.gz AWGIRMUZKZIABQ-GASCZTMLSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](CC)C[C@H]3C)[nH]n2)[C@@H](C)C1 ZINC000614708754 1196091209 /nfs/dbraw/zinc/09/12/09/1196091209.db2.gz AWGIRMUZKZIABQ-GASCZTMLSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](CC)C[C@H]3C)[nH]n2)[C@@H](C)C1 ZINC000614708754 1196091212 /nfs/dbraw/zinc/09/12/12/1196091212.db2.gz AWGIRMUZKZIABQ-GASCZTMLSA-N 2 2 376.505 0.742 20 0 GCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550581447 1196092723 /nfs/dbraw/zinc/09/27/23/1196092723.db2.gz IIMKDBQSUAFRIQ-IYBDPMFKSA-N 2 2 386.537 0.027 20 0 GCADLP O=C(C[NH+]1CCC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1)Nc1ccccc1 ZINC000895561635 1196101980 /nfs/dbraw/zinc/10/19/80/1196101980.db2.gz VLUUSLMZWLJMGZ-LJQANCHMSA-N 2 2 386.496 0.926 20 0 GCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)cc2)CC1 ZINC000895823445 1196113924 /nfs/dbraw/zinc/11/39/24/1196113924.db2.gz QXXYWABADABLNO-IBGZPJMESA-N 2 2 386.496 0.662 20 0 GCADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)CC2)CC1 ZINC000896228828 1196135593 /nfs/dbraw/zinc/13/55/93/1196135593.db2.gz ACLJZYXONLKDRL-UHFFFAOYSA-N 2 2 390.488 0.396 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000896539738 1196157263 /nfs/dbraw/zinc/15/72/63/1196157263.db2.gz BFTQFCBEJJKVHG-FXAWDEMLSA-N 3 2 379.593 0.933 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000896539738 1196157265 /nfs/dbraw/zinc/15/72/65/1196157265.db2.gz BFTQFCBEJJKVHG-FXAWDEMLSA-N 3 2 379.593 0.933 20 0 GCADLP CN(C(=O)CCc1ccncc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329158421 1196170018 /nfs/dbraw/zinc/17/00/18/1196170018.db2.gz WYQSRNVUVQQZEG-UHFFFAOYSA-N 2 2 387.528 0.711 20 0 GCADLP CN(C(=O)CCc1cnn(C)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329177755 1196172302 /nfs/dbraw/zinc/17/23/02/1196172302.db2.gz NEZITLPDBUBDFW-UHFFFAOYSA-N 2 2 390.532 0.050 20 0 GCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1C ZINC001088012075 1196217431 /nfs/dbraw/zinc/21/74/31/1196217431.db2.gz RFGUOJRQNUGZDU-VXIBKDFQSA-N 2 2 375.517 0.728 20 0 GCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1C ZINC001088012075 1196217433 /nfs/dbraw/zinc/21/74/33/1196217433.db2.gz RFGUOJRQNUGZDU-VXIBKDFQSA-N 2 2 375.517 0.728 20 0 GCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1C ZINC001088012075 1196217436 /nfs/dbraw/zinc/21/74/36/1196217436.db2.gz RFGUOJRQNUGZDU-VXIBKDFQSA-N 2 2 375.517 0.728 20 0 GCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1C ZINC001088012075 1196217438 /nfs/dbraw/zinc/21/74/38/1196217438.db2.gz RFGUOJRQNUGZDU-VXIBKDFQSA-N 2 2 375.517 0.728 20 0 GCADLP COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)on1 ZINC001088011652 1196217615 /nfs/dbraw/zinc/21/76/15/1196217615.db2.gz XMTBJEGXJKUBII-PNBKFKSVSA-N 2 2 378.473 0.683 20 0 GCADLP COc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)on1 ZINC001088011652 1196217618 /nfs/dbraw/zinc/21/76/18/1196217618.db2.gz XMTBJEGXJKUBII-PNBKFKSVSA-N 2 2 378.473 0.683 20 0 GCADLP COc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)on1 ZINC001088011652 1196217622 /nfs/dbraw/zinc/21/76/22/1196217622.db2.gz XMTBJEGXJKUBII-PNBKFKSVSA-N 2 2 378.473 0.683 20 0 GCADLP COc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)on1 ZINC001088011652 1196217625 /nfs/dbraw/zinc/21/76/25/1196217625.db2.gz XMTBJEGXJKUBII-PNBKFKSVSA-N 2 2 378.473 0.683 20 0 GCADLP CN(C(=O)CC1(O)CCCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329889257 1196236371 /nfs/dbraw/zinc/23/63/71/1196236371.db2.gz ZXXUESBZRXCEEG-UHFFFAOYSA-N 2 2 394.560 0.769 20 0 GCADLP CN(C(=O)[C@H]1CCNC(=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329924001 1196239228 /nfs/dbraw/zinc/23/92/28/1196239228.db2.gz HJMBWNWOVNCNKE-HNNXBMFYSA-N 2 2 379.505 0.050 20 0 GCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C2(CCCCC2)C1 ZINC000330077886 1196251037 /nfs/dbraw/zinc/25/10/37/1196251037.db2.gz FLJVMTJIBICZNT-GOSISDBHSA-N 2 2 392.544 0.644 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C2(CCCCC2)C1 ZINC000330077886 1196251039 /nfs/dbraw/zinc/25/10/39/1196251039.db2.gz FLJVMTJIBICZNT-GOSISDBHSA-N 2 2 392.544 0.644 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000330230197 1196260493 /nfs/dbraw/zinc/26/04/93/1196260493.db2.gz WJJJIBPHJFNVRS-KZNAEPCWSA-N 2 2 378.517 0.110 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000330230197 1196260498 /nfs/dbraw/zinc/26/04/98/1196260498.db2.gz WJJJIBPHJFNVRS-KZNAEPCWSA-N 2 2 378.517 0.110 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088111988 1196364588 /nfs/dbraw/zinc/36/45/88/1196364588.db2.gz GYVHXOZPEQMORH-YYIAUSFCSA-N 2 2 386.500 0.329 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088111988 1196364592 /nfs/dbraw/zinc/36/45/92/1196364592.db2.gz GYVHXOZPEQMORH-YYIAUSFCSA-N 2 2 386.500 0.329 20 0 GCADLP CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444234770 1196366519 /nfs/dbraw/zinc/36/65/19/1196366519.db2.gz FHDBNORYAOXXMJ-MOPGFXCFSA-N 2 2 393.576 0.556 20 0 GCADLP CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444234770 1196366523 /nfs/dbraw/zinc/36/65/23/1196366523.db2.gz FHDBNORYAOXXMJ-MOPGFXCFSA-N 2 2 393.576 0.556 20 0 GCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000643418702 1196390598 /nfs/dbraw/zinc/39/05/98/1196390598.db2.gz XSVPURHSMSWZTN-IBGZPJMESA-N 2 2 387.528 0.942 20 0 GCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000643418702 1196390602 /nfs/dbraw/zinc/39/06/02/1196390602.db2.gz XSVPURHSMSWZTN-IBGZPJMESA-N 2 2 387.528 0.942 20 0 GCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000643418703 1196390812 /nfs/dbraw/zinc/39/08/12/1196390812.db2.gz XSVPURHSMSWZTN-LJQANCHMSA-N 2 2 387.528 0.942 20 0 GCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000643418703 1196390815 /nfs/dbraw/zinc/39/08/15/1196390815.db2.gz XSVPURHSMSWZTN-LJQANCHMSA-N 2 2 387.528 0.942 20 0 GCADLP COCC[NH+]1CCC([NH2+][C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)CC1 ZINC000475349323 1196404762 /nfs/dbraw/zinc/40/47/62/1196404762.db2.gz WOMIKDGRACZPQM-LJQANCHMSA-N 2 2 392.548 0.908 20 0 GCADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000523025075 1196413027 /nfs/dbraw/zinc/41/30/27/1196413027.db2.gz NFDUOBHMFOEUST-UHFFFAOYSA-N 2 2 386.456 0.918 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717533 1196447597 /nfs/dbraw/zinc/44/75/97/1196447597.db2.gz CZTFFEXMOFDKEH-PGRDOPGGSA-N 2 2 399.539 0.994 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717533 1196447598 /nfs/dbraw/zinc/44/75/98/1196447598.db2.gz CZTFFEXMOFDKEH-PGRDOPGGSA-N 2 2 399.539 0.994 20 0 GCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000115804744 1196496698 /nfs/dbraw/zinc/49/66/98/1196496698.db2.gz FXBDFBHEOBLADJ-QGZVFWFLSA-N 2 2 375.521 0.582 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000115804744 1196496703 /nfs/dbraw/zinc/49/67/03/1196496703.db2.gz FXBDFBHEOBLADJ-QGZVFWFLSA-N 2 2 375.521 0.582 20 0 GCADLP CC[NH+]1CCC(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000523659355 1196543424 /nfs/dbraw/zinc/54/34/24/1196543424.db2.gz FSCYGRIQJIHIFT-UHFFFAOYSA-N 2 2 388.516 0.904 20 0 GCADLP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445110782 1196549982 /nfs/dbraw/zinc/54/99/82/1196549982.db2.gz MDXVWJTYHFJWCE-UHFFFAOYSA-N 2 2 389.500 0.357 20 0 GCADLP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445110782 1196549985 /nfs/dbraw/zinc/54/99/85/1196549985.db2.gz MDXVWJTYHFJWCE-UHFFFAOYSA-N 2 2 389.500 0.357 20 0 GCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367195581 1196561581 /nfs/dbraw/zinc/56/15/81/1196561581.db2.gz JNXMFBSKRXQQCE-ROUUACIJSA-N 2 2 381.565 0.765 20 0 GCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367195581 1196561584 /nfs/dbraw/zinc/56/15/84/1196561584.db2.gz JNXMFBSKRXQQCE-ROUUACIJSA-N 2 2 381.565 0.765 20 0 GCADLP CC(C)NS(=O)(=O)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000523883464 1196566296 /nfs/dbraw/zinc/56/62/96/1196566296.db2.gz JFLDPZXDRYIADI-UHFFFAOYSA-N 2 2 389.566 0.172 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000523919139 1196568348 /nfs/dbraw/zinc/56/83/48/1196568348.db2.gz ADUZATVPANXFKX-INIZCTEOSA-N 2 2 383.537 0.339 20 0 GCADLP CN(c1ccc2nccnc2n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000524155569 1196579953 /nfs/dbraw/zinc/57/99/53/1196579953.db2.gz UOQDZXGKRKUWRL-UHFFFAOYSA-N 2 2 383.500 0.699 20 0 GCADLP CCC[C@]1(C)C(=O)NCC[NH+]1CCOCC[N@@H+]1CCNC(=O)[C@@]1(C)CCC ZINC000445890563 1196597947 /nfs/dbraw/zinc/59/79/47/1196597947.db2.gz OMMFNPKIWCMAQV-WOJBJXKFSA-N 2 2 382.549 0.984 20 0 GCADLP CCC[C@]1(C)C(=O)NCC[NH+]1CCOCC[N@H+]1CCNC(=O)[C@@]1(C)CCC ZINC000445890563 1196597951 /nfs/dbraw/zinc/59/79/51/1196597951.db2.gz OMMFNPKIWCMAQV-WOJBJXKFSA-N 2 2 382.549 0.984 20 0 GCADLP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000524703929 1196616371 /nfs/dbraw/zinc/61/63/71/1196616371.db2.gz VIXNJTNNSCUUAU-IBGZPJMESA-N 2 2 380.489 0.962 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446257591 1196629433 /nfs/dbraw/zinc/62/94/33/1196629433.db2.gz GQAUXUIMVQCHFZ-PLMTUMEDSA-N 2 2 394.560 0.922 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446257591 1196629435 /nfs/dbraw/zinc/62/94/35/1196629435.db2.gz GQAUXUIMVQCHFZ-PLMTUMEDSA-N 2 2 394.560 0.922 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000446291055 1196632113 /nfs/dbraw/zinc/63/21/13/1196632113.db2.gz GJDPFDVPVCLIIQ-SFUIVIKGSA-N 2 2 383.558 0.843 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446371910 1196640248 /nfs/dbraw/zinc/64/02/48/1196640248.db2.gz HHJLRQUUVQGPEX-GPMSIDNRSA-N 2 2 377.489 0.686 20 0 GCADLP O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000447908912 1196756901 /nfs/dbraw/zinc/75/69/01/1196756901.db2.gz AVTRATORSYEKFH-RTBURBONSA-N 2 2 377.485 0.265 20 0 GCADLP CC(C)OC(C)(C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000448923621 1196840149 /nfs/dbraw/zinc/84/01/49/1196840149.db2.gz VKIDGVSSNUEFOW-UHFFFAOYSA-N 2 2 382.549 0.887 20 0 GCADLP CCC[C@H](OCC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528447701 1196859489 /nfs/dbraw/zinc/85/94/89/1196859489.db2.gz HUJREIYBAOCJTK-SFHVURJKSA-N 2 2 382.549 0.888 20 0 GCADLP COC(=O)Cn1cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000449326159 1196868520 /nfs/dbraw/zinc/86/85/20/1196868520.db2.gz SRBGVMMFYGQVHI-HOTGVXAUSA-N 2 2 395.504 0.541 20 0 GCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000528687881 1196880429 /nfs/dbraw/zinc/88/04/29/1196880429.db2.gz DIETTYVCWSNSLC-UHFFFAOYSA-N 2 2 398.471 0.501 20 0 GCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCSC1 ZINC000671071942 1196891608 /nfs/dbraw/zinc/89/16/08/1196891608.db2.gz WLVITBLRYLZSGD-LPHOPBHVSA-N 2 2 376.526 0.843 20 0 GCADLP O=C(C[NH+]1CCC(NC(=O)NC[C@H]2COCC[NH2+]2)CC1)Nc1ccccc1 ZINC000529288808 1196912323 /nfs/dbraw/zinc/91/23/23/1196912323.db2.gz NIBRXFZMZZLDOM-KRWDZBQOSA-N 2 2 375.473 0.377 20 0 GCADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323140 1196924844 /nfs/dbraw/zinc/92/48/44/1196924844.db2.gz FRWXSMODVGEKQM-PMACEKPBSA-N 2 2 392.544 0.940 20 0 GCADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323140 1196924846 /nfs/dbraw/zinc/92/48/46/1196924846.db2.gz FRWXSMODVGEKQM-PMACEKPBSA-N 2 2 392.544 0.940 20 0 GCADLP C[NH+]1CCC2(CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000372434337 1196931202 /nfs/dbraw/zinc/93/12/02/1196931202.db2.gz ABSVMGKPIQVEAI-UHFFFAOYSA-N 2 2 387.532 0.868 20 0 GCADLP CCCn1c(N)c(C(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(=O)[nH]c1=O ZINC000530241252 1196969377 /nfs/dbraw/zinc/96/93/77/1196969377.db2.gz OSNPZDBJBJKNQP-CQSZACIVSA-N 2 2 393.488 0.214 20 0 GCADLP CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000451941669 1197025871 /nfs/dbraw/zinc/02/58/71/1197025871.db2.gz ZWHFZNCUWIBHNE-IAGOWNOFSA-N 2 2 391.516 0.951 20 0 GCADLP COC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000452037872 1197034709 /nfs/dbraw/zinc/03/47/09/1197034709.db2.gz LTOFZVUVPUOLGD-HNNXBMFYSA-N 2 2 387.488 0.513 20 0 GCADLP COC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000452037872 1197034714 /nfs/dbraw/zinc/03/47/14/1197034714.db2.gz LTOFZVUVPUOLGD-HNNXBMFYSA-N 2 2 387.488 0.513 20 0 GCADLP CC(=O)NCC(=O)N1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639892661 1197089173 /nfs/dbraw/zinc/08/91/73/1197089173.db2.gz XLPSSCDDKXJJTO-NRFANRHFSA-N 2 2 388.512 0.294 20 0 GCADLP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639892661 1197089176 /nfs/dbraw/zinc/08/91/76/1197089176.db2.gz XLPSSCDDKXJJTO-NRFANRHFSA-N 2 2 388.512 0.294 20 0 GCADLP CC(=O)NCC(=O)N1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639892661 1197089180 /nfs/dbraw/zinc/08/91/80/1197089180.db2.gz XLPSSCDDKXJJTO-NRFANRHFSA-N 2 2 388.512 0.294 20 0 GCADLP CC(=O)NCC(=O)N1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639892661 1197089183 /nfs/dbraw/zinc/08/91/83/1197089183.db2.gz XLPSSCDDKXJJTO-NRFANRHFSA-N 2 2 388.512 0.294 20 0 GCADLP CNc1nc(NC[C@H]2CC[NH+](C(C)C)C2)[nH+]c(NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000531823577 1197099745 /nfs/dbraw/zinc/09/97/45/1197099745.db2.gz MYICSLJEJVDJBY-IAGOWNOFSA-N 3 2 390.580 0.463 20 0 GCADLP CNc1nc(NC[C@H]2CC[NH+](C(C)C)C2)[nH+]c(NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000531823577 1197099748 /nfs/dbraw/zinc/09/97/48/1197099748.db2.gz MYICSLJEJVDJBY-IAGOWNOFSA-N 3 2 390.580 0.463 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000531847820 1197100708 /nfs/dbraw/zinc/10/07/08/1197100708.db2.gz DVZYCPYJNOYXBZ-UHFFFAOYSA-N 2 2 389.544 0.907 20 0 GCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc4c(c3)CCS4(=O)=O)cn2)CC1 ZINC000531883509 1197102035 /nfs/dbraw/zinc/10/20/35/1197102035.db2.gz AQTQOFRPKVOYHG-UHFFFAOYSA-N 2 2 387.509 0.848 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH+]ccn4C)C[C@H]3C2)CC[N@@H+]1C ZINC000986190570 1197153435 /nfs/dbraw/zinc/15/34/35/1197153435.db2.gz LLKDKUBMNYHRJB-ZJPYXAASSA-N 2 2 387.528 1.000 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH+]ccn4C)C[C@H]3C2)CC[N@H+]1C ZINC000986190570 1197153438 /nfs/dbraw/zinc/15/34/38/1197153438.db2.gz LLKDKUBMNYHRJB-ZJPYXAASSA-N 2 2 387.528 1.000 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH+]ccn4C)C[C@@H]3C2)CC[N@@H+]1C ZINC000986501578 1197175231 /nfs/dbraw/zinc/17/52/31/1197175231.db2.gz MGBHIPWBEVYLCT-ZJPYXAASSA-N 2 2 387.528 1.000 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH+]ccn4C)C[C@@H]3C2)CC[N@H+]1C ZINC000986501578 1197175233 /nfs/dbraw/zinc/17/52/33/1197175233.db2.gz MGBHIPWBEVYLCT-ZJPYXAASSA-N 2 2 387.528 1.000 20 0 GCADLP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000475704482 1197177218 /nfs/dbraw/zinc/17/72/18/1197177218.db2.gz HEJFRHRGIWCZCM-GOSISDBHSA-N 2 2 394.520 0.430 20 0 GCADLP C(C[NH+]1CCC[C@H]1CN1CCOCC1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173690061 1197178251 /nfs/dbraw/zinc/17/82/51/1197178251.db2.gz SNNNOZHJPTWLLU-OYRHEFFESA-N 2 2 380.577 0.970 20 0 GCADLP C(C[NH+]1CCC[C@H]1CN1CCOCC1)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173690061 1197178255 /nfs/dbraw/zinc/17/82/55/1197178255.db2.gz SNNNOZHJPTWLLU-OYRHEFFESA-N 2 2 380.577 0.970 20 0 GCADLP C(C[NH+]1CCC[C@@H]1CN1CCOCC1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000173690061 1197178257 /nfs/dbraw/zinc/17/82/57/1197178257.db2.gz SNNNOZHJPTWLLU-OYRHEFFESA-N 2 2 380.577 0.970 20 0 GCADLP C(C[NH+]1CCC[C@@H]1CN1CCOCC1)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000173690061 1197178259 /nfs/dbraw/zinc/17/82/59/1197178259.db2.gz SNNNOZHJPTWLLU-OYRHEFFESA-N 2 2 380.577 0.970 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)CC1 ZINC000176048443 1197186375 /nfs/dbraw/zinc/18/63/75/1197186375.db2.gz IOROEGINPQSTCT-SFHVURJKSA-N 3 2 393.576 0.909 20 0 GCADLP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000177441940 1197189658 /nfs/dbraw/zinc/18/96/58/1197189658.db2.gz FBSCYZGRNUOWKY-KRWDZBQOSA-N 2 2 392.544 0.690 20 0 GCADLP O=C(NCC1CC[NH+](CCO)CC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475720804 1197189863 /nfs/dbraw/zinc/18/98/63/1197189863.db2.gz XYARHDUNTWEGRP-UHFFFAOYSA-N 2 2 380.493 0.041 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666125100 1197212153 /nfs/dbraw/zinc/21/21/53/1197212153.db2.gz RSFVXBQZDNWJEQ-QGZVFWFLSA-N 2 2 392.504 0.590 20 0 GCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000192176862 1197245974 /nfs/dbraw/zinc/24/59/74/1197245974.db2.gz QPIMXMQJWPGPES-QZTJIDSGSA-N 2 2 381.565 0.765 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000666239743 1197250929 /nfs/dbraw/zinc/25/09/29/1197250929.db2.gz LKTLUBQSAGDOEG-SFHVURJKSA-N 2 2 392.504 0.278 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000666239743 1197250934 /nfs/dbraw/zinc/25/09/34/1197250934.db2.gz LKTLUBQSAGDOEG-SFHVURJKSA-N 2 2 392.504 0.278 20 0 GCADLP O=C(NCCC[NH+]1CCOCC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000060906355 1197271576 /nfs/dbraw/zinc/27/15/76/1197271576.db2.gz ZCLJDRCQECBJLZ-UHFFFAOYSA-N 2 2 389.544 0.826 20 0 GCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000104781643 1197307354 /nfs/dbraw/zinc/30/73/54/1197307354.db2.gz ZHLNQHNKJSJKAF-OAHLLOKOSA-N 2 2 376.505 0.649 20 0 GCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000104781643 1197307357 /nfs/dbraw/zinc/30/73/57/1197307357.db2.gz ZHLNQHNKJSJKAF-OAHLLOKOSA-N 2 2 376.505 0.649 20 0 GCADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1C ZINC000170936949 1197307907 /nfs/dbraw/zinc/30/79/07/1197307907.db2.gz ULHZTRUSADJLQV-DLBZAZTESA-N 2 2 380.558 0.779 20 0 GCADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1C ZINC000170936949 1197307912 /nfs/dbraw/zinc/30/79/12/1197307912.db2.gz ULHZTRUSADJLQV-DLBZAZTESA-N 2 2 380.558 0.779 20 0 GCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NC3CC[NH+](CCCOC)CC3)C2)CC1 ZINC000106557281 1197327203 /nfs/dbraw/zinc/32/72/03/1197327203.db2.gz NCJOWXQOAGZXDN-IBGZPJMESA-N 2 2 381.565 0.909 20 0 GCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cn1 ZINC000109395503 1197329579 /nfs/dbraw/zinc/32/95/79/1197329579.db2.gz SWPSIZYFAKYLSY-UHFFFAOYSA-N 2 2 399.499 0.928 20 0 GCADLP CC(C)[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[NH+](C)C ZINC000112503673 1197334830 /nfs/dbraw/zinc/33/48/30/1197334830.db2.gz ALYSXRKJUAXGTG-QFBILLFUSA-N 2 2 390.532 0.984 20 0 GCADLP CC(C)[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[NH+](C)C ZINC000112503673 1197334833 /nfs/dbraw/zinc/33/48/33/1197334833.db2.gz ALYSXRKJUAXGTG-QFBILLFUSA-N 2 2 390.532 0.984 20 0 GCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000123634082 1197351490 /nfs/dbraw/zinc/35/14/90/1197351490.db2.gz GEJFTVVVVQYYGO-CQSZACIVSA-N 2 2 385.472 0.122 20 0 GCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000123634082 1197351493 /nfs/dbraw/zinc/35/14/93/1197351493.db2.gz GEJFTVVVVQYYGO-CQSZACIVSA-N 2 2 385.472 0.122 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)CC1 ZINC000124426837 1197352835 /nfs/dbraw/zinc/35/28/35/1197352835.db2.gz FMTGKRLNOJZVAE-ROUUACIJSA-N 2 2 390.528 0.836 20 0 GCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000564020132 1197378691 /nfs/dbraw/zinc/37/86/91/1197378691.db2.gz XZRLHXPLIONXIP-UHFFFAOYSA-N 2 2 394.491 0.554 20 0 GCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000564020132 1197378693 /nfs/dbraw/zinc/37/86/93/1197378693.db2.gz XZRLHXPLIONXIP-UHFFFAOYSA-N 2 2 394.491 0.554 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245909479 1197438056 /nfs/dbraw/zinc/43/80/56/1197438056.db2.gz RDGNJZAOXICASG-NZSAHSFTSA-N 2 2 376.501 0.642 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245909479 1197438058 /nfs/dbraw/zinc/43/80/58/1197438058.db2.gz RDGNJZAOXICASG-NZSAHSFTSA-N 2 2 376.501 0.642 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000248851745 1197480240 /nfs/dbraw/zinc/48/02/40/1197480240.db2.gz OVDDPORUTDFNBL-YZGWKJHDSA-N 2 2 390.528 0.841 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000248851745 1197480242 /nfs/dbraw/zinc/48/02/42/1197480242.db2.gz OVDDPORUTDFNBL-YZGWKJHDSA-N 2 2 390.528 0.841 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000988753068 1197503384 /nfs/dbraw/zinc/50/33/84/1197503384.db2.gz LVUVDWRRBRTWJG-KJWYOANISA-N 2 2 385.468 0.773 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000988753068 1197503388 /nfs/dbraw/zinc/50/33/88/1197503388.db2.gz LVUVDWRRBRTWJG-KJWYOANISA-N 2 2 385.468 0.773 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261767927 1197514150 /nfs/dbraw/zinc/51/41/50/1197514150.db2.gz GJFKVCWXCMSTNQ-BZSNNMDCSA-N 3 2 379.549 0.119 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261767927 1197514153 /nfs/dbraw/zinc/51/41/53/1197514153.db2.gz GJFKVCWXCMSTNQ-BZSNNMDCSA-N 3 2 379.549 0.119 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261767930 1197514350 /nfs/dbraw/zinc/51/43/50/1197514350.db2.gz GJFKVCWXCMSTNQ-RCCFBDPRSA-N 3 2 379.549 0.119 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261767930 1197514353 /nfs/dbraw/zinc/51/43/53/1197514353.db2.gz GJFKVCWXCMSTNQ-RCCFBDPRSA-N 3 2 379.549 0.119 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672014715 1199004430 /nfs/dbraw/zinc/00/44/30/1199004430.db2.gz OUZHOJLHHPURLR-FUHWJXTLSA-N 2 2 380.533 0.546 20 0 GCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795369 1199011214 /nfs/dbraw/zinc/01/12/14/1199011214.db2.gz XOVTUPRXQMLOHT-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795369 1199011217 /nfs/dbraw/zinc/01/12/17/1199011217.db2.gz XOVTUPRXQMLOHT-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795369 1199011218 /nfs/dbraw/zinc/01/12/18/1199011218.db2.gz XOVTUPRXQMLOHT-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795369 1199011223 /nfs/dbraw/zinc/01/12/23/1199011223.db2.gz XOVTUPRXQMLOHT-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)c2)CC1 ZINC000108617404 1199061258 /nfs/dbraw/zinc/06/12/58/1199061258.db2.gz LOGVEQLEODDBOY-FQEVSTJZSA-N 2 2 399.539 0.973 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)c2)CC1 ZINC000108617404 1199061260 /nfs/dbraw/zinc/06/12/60/1199061260.db2.gz LOGVEQLEODDBOY-FQEVSTJZSA-N 2 2 399.539 0.973 20 0 GCADLP Cn1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000172698050 1199144432 /nfs/dbraw/zinc/14/44/32/1199144432.db2.gz WLMOFUBRCXAYTE-SFHVURJKSA-N 2 2 384.484 0.505 20 0 GCADLP CCn1nc(C)c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000672218567 1199162372 /nfs/dbraw/zinc/16/23/72/1199162372.db2.gz ISUVBMKVORFGHZ-INIZCTEOSA-N 2 2 390.532 0.421 20 0 GCADLP CCn1nc(C)c(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000672218567 1199162376 /nfs/dbraw/zinc/16/23/76/1199162376.db2.gz ISUVBMKVORFGHZ-INIZCTEOSA-N 2 2 390.532 0.421 20 0 GCADLP Cc1ncsc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672252560 1199174894 /nfs/dbraw/zinc/17/48/94/1199174894.db2.gz OJBMAOLAMOBBMB-OAHLLOKOSA-N 2 2 379.530 0.695 20 0 GCADLP Cc1ncsc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672252560 1199174901 /nfs/dbraw/zinc/17/49/01/1199174901.db2.gz OJBMAOLAMOBBMB-OAHLLOKOSA-N 2 2 379.530 0.695 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656360223 1199192010 /nfs/dbraw/zinc/19/20/10/1199192010.db2.gz SHDSHSLEIDPBAD-KZNAEPCWSA-N 2 2 378.517 0.443 20 0 GCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656360223 1199192013 /nfs/dbraw/zinc/19/20/13/1199192013.db2.gz SHDSHSLEIDPBAD-KZNAEPCWSA-N 2 2 378.517 0.443 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672310086 1199200095 /nfs/dbraw/zinc/20/00/95/1199200095.db2.gz GEDMXJAATHFFHW-KZNAEPCWSA-N 2 2 378.517 0.347 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672310086 1199200097 /nfs/dbraw/zinc/20/00/97/1199200097.db2.gz GEDMXJAATHFFHW-KZNAEPCWSA-N 2 2 378.517 0.347 20 0 GCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000465946070 1199212549 /nfs/dbraw/zinc/21/25/49/1199212549.db2.gz BKNCDOAZKWYAEA-DLBZAZTESA-N 2 2 381.521 0.080 20 0 GCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000465946070 1199212553 /nfs/dbraw/zinc/21/25/53/1199212553.db2.gz BKNCDOAZKWYAEA-DLBZAZTESA-N 2 2 381.521 0.080 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794746 1199218345 /nfs/dbraw/zinc/21/83/45/1199218345.db2.gz AOBBEGZEHYLYLC-VQIMIIECSA-N 2 2 395.507 0.918 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794746 1199218351 /nfs/dbraw/zinc/21/83/51/1199218351.db2.gz AOBBEGZEHYLYLC-VQIMIIECSA-N 2 2 395.507 0.918 20 0 GCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2nn(C)c(=O)cc2C1 ZINC000172794746 1199218353 /nfs/dbraw/zinc/21/83/53/1199218353.db2.gz AOBBEGZEHYLYLC-VQIMIIECSA-N 2 2 395.507 0.918 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC1CC[NH+](CCO)CC1 ZINC000672411357 1199229886 /nfs/dbraw/zinc/22/98/86/1199229886.db2.gz BRFFTEHCMLEDPS-KRWDZBQOSA-N 2 2 388.512 0.292 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC1CC[NH+](CCO)CC1 ZINC000672411357 1199229889 /nfs/dbraw/zinc/22/98/89/1199229889.db2.gz BRFFTEHCMLEDPS-KRWDZBQOSA-N 2 2 388.512 0.292 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000672535547 1199264449 /nfs/dbraw/zinc/26/44/49/1199264449.db2.gz MLNLBISLHRDZRD-PBHICJAKSA-N 2 2 376.505 0.224 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000672535547 1199264455 /nfs/dbraw/zinc/26/44/55/1199264455.db2.gz MLNLBISLHRDZRD-PBHICJAKSA-N 2 2 376.505 0.224 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)c1ccncc1 ZINC000672561825 1199269554 /nfs/dbraw/zinc/26/95/54/1199269554.db2.gz CXPPRUPVMCTYCX-UHFFFAOYSA-N 2 2 389.544 0.960 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)c1ccncc1 ZINC000672561825 1199269556 /nfs/dbraw/zinc/26/95/56/1199269556.db2.gz CXPPRUPVMCTYCX-UHFFFAOYSA-N 2 2 389.544 0.960 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672593334 1199275793 /nfs/dbraw/zinc/27/57/93/1199275793.db2.gz OLTOPHNUNIJRCC-JFIYKMOQSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672593334 1199275798 /nfs/dbraw/zinc/27/57/98/1199275798.db2.gz OLTOPHNUNIJRCC-JFIYKMOQSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000672593334 1199275803 /nfs/dbraw/zinc/27/58/03/1199275803.db2.gz OLTOPHNUNIJRCC-JFIYKMOQSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000672593334 1199275807 /nfs/dbraw/zinc/27/58/07/1199275807.db2.gz OLTOPHNUNIJRCC-JFIYKMOQSA-N 3 2 379.549 0.212 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672598515 1199279227 /nfs/dbraw/zinc/27/92/27/1199279227.db2.gz ZYAIAGRNUVNRCS-FGTMMUONSA-N 2 2 380.533 0.737 20 0 GCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000672598701 1199280108 /nfs/dbraw/zinc/28/01/08/1199280108.db2.gz YNVQFXSMZGPKTP-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1Cc2ccccc2C1 ZINC000672637375 1199287192 /nfs/dbraw/zinc/28/71/92/1199287192.db2.gz GEYDORDQROSSQZ-GOSISDBHSA-N 2 2 384.524 0.897 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1Cc2ccccc2C1 ZINC000672637375 1199287196 /nfs/dbraw/zinc/28/71/96/1199287196.db2.gz GEYDORDQROSSQZ-GOSISDBHSA-N 2 2 384.524 0.897 20 0 GCADLP Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638379 1199289085 /nfs/dbraw/zinc/28/90/85/1199289085.db2.gz GEXOUIYNORXPGG-CZUORRHYSA-N 2 2 391.516 0.796 20 0 GCADLP Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638379 1199289086 /nfs/dbraw/zinc/28/90/86/1199289086.db2.gz GEXOUIYNORXPGG-CZUORRHYSA-N 2 2 391.516 0.796 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638394 1199289472 /nfs/dbraw/zinc/28/94/72/1199289472.db2.gz GOBFMRUIUUBESA-HKUYNNGSSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638394 1199289474 /nfs/dbraw/zinc/28/94/74/1199289474.db2.gz GOBFMRUIUUBESA-HKUYNNGSSA-N 3 2 391.560 0.358 20 0 GCADLP Cc1ncc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672638495 1199289665 /nfs/dbraw/zinc/28/96/65/1199289665.db2.gz IKCWVPDCMBNNIY-CQSZACIVSA-N 2 2 379.530 0.695 20 0 GCADLP Cc1ncc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672638495 1199289670 /nfs/dbraw/zinc/28/96/70/1199289670.db2.gz IKCWVPDCMBNNIY-CQSZACIVSA-N 2 2 379.530 0.695 20 0 GCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638512 1199289824 /nfs/dbraw/zinc/28/98/24/1199289824.db2.gz RSZYUZFWXQIQSV-ROUUACIJSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638512 1199289830 /nfs/dbraw/zinc/28/98/30/1199289830.db2.gz RSZYUZFWXQIQSV-ROUUACIJSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638512 1199289837 /nfs/dbraw/zinc/28/98/37/1199289837.db2.gz RSZYUZFWXQIQSV-ROUUACIJSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638512 1199289841 /nfs/dbraw/zinc/28/98/41/1199289841.db2.gz RSZYUZFWXQIQSV-ROUUACIJSA-N 3 2 393.576 0.365 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOCC4(CCCC4)C3)C2)CC1 ZINC000672638035 1199290721 /nfs/dbraw/zinc/29/07/21/1199290721.db2.gz HYFSNLXULASAGH-KRWDZBQOSA-N 2 2 392.544 0.690 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOCC4(CCCC4)C3)C2)CC1 ZINC000672638035 1199290724 /nfs/dbraw/zinc/29/07/24/1199290724.db2.gz HYFSNLXULASAGH-KRWDZBQOSA-N 2 2 392.544 0.690 20 0 GCADLP CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637768 1199291883 /nfs/dbraw/zinc/29/18/83/1199291883.db2.gz AOLXNVRTNBSULJ-YQVWRLOYSA-N 2 2 394.560 0.981 20 0 GCADLP CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637768 1199291890 /nfs/dbraw/zinc/29/18/90/1199291890.db2.gz AOLXNVRTNBSULJ-YQVWRLOYSA-N 2 2 394.560 0.981 20 0 GCADLP CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672638850 1199292933 /nfs/dbraw/zinc/29/29/33/1199292933.db2.gz YYCDGGRHRZVSTC-KBAYOESNSA-N 2 2 394.560 0.933 20 0 GCADLP CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672638850 1199292935 /nfs/dbraw/zinc/29/29/35/1199292935.db2.gz YYCDGGRHRZVSTC-KBAYOESNSA-N 2 2 394.560 0.933 20 0 GCADLP CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639208 1199293690 /nfs/dbraw/zinc/29/36/90/1199293690.db2.gz KIBCAPUTHVFWCR-BQFCYCMXSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639208 1199293694 /nfs/dbraw/zinc/29/36/94/1199293694.db2.gz KIBCAPUTHVFWCR-BQFCYCMXSA-N 2 2 380.533 0.281 20 0 GCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639077 1199294709 /nfs/dbraw/zinc/29/47/09/1199294709.db2.gz YOMNUBZJBRPQFQ-IAGOWNOFSA-N 3 2 379.549 0.119 20 0 GCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639077 1199294710 /nfs/dbraw/zinc/29/47/10/1199294710.db2.gz YOMNUBZJBRPQFQ-IAGOWNOFSA-N 3 2 379.549 0.119 20 0 GCADLP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639077 1199294713 /nfs/dbraw/zinc/29/47/13/1199294713.db2.gz YOMNUBZJBRPQFQ-IAGOWNOFSA-N 3 2 379.549 0.119 20 0 GCADLP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639077 1199294715 /nfs/dbraw/zinc/29/47/15/1199294715.db2.gz YOMNUBZJBRPQFQ-IAGOWNOFSA-N 3 2 379.549 0.119 20 0 GCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640245 1199295609 /nfs/dbraw/zinc/29/56/09/1199295609.db2.gz YDHZVODNMOJDQX-IRXDYDNUSA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640245 1199295614 /nfs/dbraw/zinc/29/56/14/1199295614.db2.gz YDHZVODNMOJDQX-IRXDYDNUSA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640245 1199295623 /nfs/dbraw/zinc/29/56/23/1199295623.db2.gz YDHZVODNMOJDQX-IRXDYDNUSA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640245 1199295629 /nfs/dbraw/zinc/29/56/29/1199295629.db2.gz YDHZVODNMOJDQX-IRXDYDNUSA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640247 1199296515 /nfs/dbraw/zinc/29/65/15/1199296515.db2.gz YDHZVODNMOJDQX-SJORKVTESA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672640247 1199296516 /nfs/dbraw/zinc/29/65/16/1199296516.db2.gz YDHZVODNMOJDQX-SJORKVTESA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640247 1199296519 /nfs/dbraw/zinc/29/65/19/1199296519.db2.gz YDHZVODNMOJDQX-SJORKVTESA-N 3 2 379.549 0.071 20 0 GCADLP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640247 1199296520 /nfs/dbraw/zinc/29/65/20/1199296520.db2.gz YDHZVODNMOJDQX-SJORKVTESA-N 3 2 379.549 0.071 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)Cc3ccccc3)C2)CC1 ZINC000672640250 1199296781 /nfs/dbraw/zinc/29/67/81/1199296781.db2.gz USFNMQNVBXDHQS-GOSISDBHSA-N 2 2 388.512 0.292 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)Cc3ccccc3)C2)CC1 ZINC000672640250 1199296783 /nfs/dbraw/zinc/29/67/83/1199296783.db2.gz USFNMQNVBXDHQS-GOSISDBHSA-N 2 2 388.512 0.292 20 0 GCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672639984 1199296974 /nfs/dbraw/zinc/29/69/74/1199296974.db2.gz QNGOXGDOOBQMNR-YESZJQIVSA-N 2 2 379.549 0.212 20 0 GCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672639984 1199296975 /nfs/dbraw/zinc/29/69/75/1199296975.db2.gz QNGOXGDOOBQMNR-YESZJQIVSA-N 2 2 379.549 0.212 20 0 GCADLP CN(C)c1nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672641209 1199297497 /nfs/dbraw/zinc/29/74/97/1199297497.db2.gz NLCFGLPPTYTVRA-CYBMUJFWSA-N 2 2 394.545 0.110 20 0 GCADLP CN(C)c1nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672641209 1199297500 /nfs/dbraw/zinc/29/75/00/1199297500.db2.gz NLCFGLPPTYTVRA-CYBMUJFWSA-N 2 2 394.545 0.110 20 0 GCADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672640936 1199297525 /nfs/dbraw/zinc/29/75/25/1199297525.db2.gz MJNNHDCJNBYYAM-AEFFLSMTSA-N 2 2 380.533 0.593 20 0 GCADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672640936 1199297531 /nfs/dbraw/zinc/29/75/31/1199297531.db2.gz MJNNHDCJNBYYAM-AEFFLSMTSA-N 2 2 380.533 0.593 20 0 GCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641402 1199297603 /nfs/dbraw/zinc/29/76/03/1199297603.db2.gz QVAHPHFBEOFLQM-SFHVURJKSA-N 3 2 393.576 0.606 20 0 GCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641402 1199297607 /nfs/dbraw/zinc/29/76/07/1199297607.db2.gz QVAHPHFBEOFLQM-SFHVURJKSA-N 3 2 393.576 0.606 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641013 1199297718 /nfs/dbraw/zinc/29/77/18/1199297718.db2.gz JUPMTSRJVFNUKW-CVEARBPZSA-N 3 2 381.565 0.364 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641013 1199297720 /nfs/dbraw/zinc/29/77/20/1199297720.db2.gz JUPMTSRJVFNUKW-CVEARBPZSA-N 3 2 381.565 0.364 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4cccc(F)c4C3)C2)CC1 ZINC000672640805 1199298377 /nfs/dbraw/zinc/29/83/77/1199298377.db2.gz KXPQYNNGBJYINZ-INIZCTEOSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4cccc(F)c4C3)C2)CC1 ZINC000672640805 1199298380 /nfs/dbraw/zinc/29/83/80/1199298380.db2.gz KXPQYNNGBJYINZ-INIZCTEOSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000672642302 1199300475 /nfs/dbraw/zinc/30/04/75/1199300475.db2.gz FOVXJYHUKABMHG-GOEBONIOSA-N 2 2 380.533 0.733 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000672642302 1199300480 /nfs/dbraw/zinc/30/04/80/1199300480.db2.gz FOVXJYHUKABMHG-GOEBONIOSA-N 2 2 380.533 0.733 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C2CC2)O1 ZINC000672642127 1199300588 /nfs/dbraw/zinc/30/05/88/1199300588.db2.gz YKIQHZVKFVOZPT-UWWQBHOKSA-N 2 2 378.517 0.297 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C2CC2)O1 ZINC000672642127 1199300591 /nfs/dbraw/zinc/30/05/91/1199300591.db2.gz YKIQHZVKFVOZPT-UWWQBHOKSA-N 2 2 378.517 0.297 20 0 GCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642269 1199300867 /nfs/dbraw/zinc/30/08/67/1199300867.db2.gz DDJSIDIKGQKNGD-QGZVFWFLSA-N 3 2 379.549 0.214 20 0 GCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642269 1199300871 /nfs/dbraw/zinc/30/08/71/1199300871.db2.gz DDJSIDIKGQKNGD-QGZVFWFLSA-N 3 2 379.549 0.214 20 0 GCADLP CC(C)[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642269 1199300873 /nfs/dbraw/zinc/30/08/73/1199300873.db2.gz DDJSIDIKGQKNGD-QGZVFWFLSA-N 3 2 379.549 0.214 20 0 GCADLP CC(C)[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642269 1199300880 /nfs/dbraw/zinc/30/08/80/1199300880.db2.gz DDJSIDIKGQKNGD-QGZVFWFLSA-N 3 2 379.549 0.214 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)C2)CC1 ZINC000672643227 1199302095 /nfs/dbraw/zinc/30/20/95/1199302095.db2.gz VDMMGPMWTLHOCT-SVGFKBNWSA-N 2 2 378.517 0.201 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)C2)CC1 ZINC000672643227 1199302103 /nfs/dbraw/zinc/30/21/03/1199302103.db2.gz VDMMGPMWTLHOCT-SVGFKBNWSA-N 2 2 378.517 0.201 20 0 GCADLP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672643185 1199302161 /nfs/dbraw/zinc/30/21/61/1199302161.db2.gz TVLJSAYPRLROJP-QGZVFWFLSA-N 3 2 393.576 0.509 20 0 GCADLP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672643185 1199302168 /nfs/dbraw/zinc/30/21/68/1199302168.db2.gz TVLJSAYPRLROJP-QGZVFWFLSA-N 3 2 393.576 0.509 20 0 GCADLP CCO[C@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642597 1199302814 /nfs/dbraw/zinc/30/28/14/1199302814.db2.gz OSQNZUVRFWRKCC-FUHWJXTLSA-N 2 2 382.549 0.839 20 0 GCADLP CCO[C@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642597 1199302821 /nfs/dbraw/zinc/30/28/21/1199302821.db2.gz OSQNZUVRFWRKCC-FUHWJXTLSA-N 2 2 382.549 0.839 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643213 1199303360 /nfs/dbraw/zinc/30/33/60/1199303360.db2.gz UWSKIVAZRVJUEF-LMMKCTJWSA-N 3 2 393.576 0.602 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643213 1199303365 /nfs/dbraw/zinc/30/33/65/1199303365.db2.gz UWSKIVAZRVJUEF-LMMKCTJWSA-N 3 2 393.576 0.602 20 0 GCADLP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643213 1199303371 /nfs/dbraw/zinc/30/33/71/1199303371.db2.gz UWSKIVAZRVJUEF-LMMKCTJWSA-N 3 2 393.576 0.602 20 0 GCADLP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643213 1199303373 /nfs/dbraw/zinc/30/33/73/1199303373.db2.gz UWSKIVAZRVJUEF-LMMKCTJWSA-N 3 2 393.576 0.602 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000672643415 1199303491 /nfs/dbraw/zinc/30/34/91/1199303491.db2.gz XNMZHIMLSGHCLQ-HPBDAGMYSA-N 2 2 392.544 0.591 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000672643415 1199303496 /nfs/dbraw/zinc/30/34/96/1199303496.db2.gz XNMZHIMLSGHCLQ-HPBDAGMYSA-N 2 2 392.544 0.591 20 0 GCADLP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672643184 1199303741 /nfs/dbraw/zinc/30/37/41/1199303741.db2.gz TVLJSAYPRLROJP-KRWDZBQOSA-N 3 2 393.576 0.509 20 0 GCADLP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672643184 1199303742 /nfs/dbraw/zinc/30/37/42/1199303742.db2.gz TVLJSAYPRLROJP-KRWDZBQOSA-N 3 2 393.576 0.509 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643214 1199303759 /nfs/dbraw/zinc/30/37/59/1199303759.db2.gz UWSKIVAZRVJUEF-LNLFQRSKSA-N 3 2 393.576 0.602 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643214 1199303761 /nfs/dbraw/zinc/30/37/61/1199303761.db2.gz UWSKIVAZRVJUEF-LNLFQRSKSA-N 3 2 393.576 0.602 20 0 GCADLP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643214 1199303763 /nfs/dbraw/zinc/30/37/63/1199303763.db2.gz UWSKIVAZRVJUEF-LNLFQRSKSA-N 3 2 393.576 0.602 20 0 GCADLP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643214 1199303765 /nfs/dbraw/zinc/30/37/65/1199303765.db2.gz UWSKIVAZRVJUEF-LNLFQRSKSA-N 3 2 393.576 0.602 20 0 GCADLP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672641825 1199304124 /nfs/dbraw/zinc/30/41/24/1199304124.db2.gz UNJODLCOZOFBLL-AKCHCHLHSA-N 2 2 380.533 0.591 20 0 GCADLP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672641825 1199304128 /nfs/dbraw/zinc/30/41/28/1199304128.db2.gz UNJODLCOZOFBLL-AKCHCHLHSA-N 2 2 380.533 0.591 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641890 1199304491 /nfs/dbraw/zinc/30/44/91/1199304491.db2.gz ZRWWMVBPXJEVTR-LPHOPBHVSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641890 1199304499 /nfs/dbraw/zinc/30/44/99/1199304499.db2.gz ZRWWMVBPXJEVTR-LPHOPBHVSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641890 1199304505 /nfs/dbraw/zinc/30/45/05/1199304505.db2.gz ZRWWMVBPXJEVTR-LPHOPBHVSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641890 1199304509 /nfs/dbraw/zinc/30/45/09/1199304509.db2.gz ZRWWMVBPXJEVTR-LPHOPBHVSA-N 3 2 391.560 0.404 20 0 GCADLP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641890 1199304512 /nfs/dbraw/zinc/30/45/12/1199304512.db2.gz ZRWWMVBPXJEVTR-LPHOPBHVSA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)C2)CC1 ZINC000672641890 1199304517 /nfs/dbraw/zinc/30/45/17/1199304517.db2.gz ZRWWMVBPXJEVTR-LPHOPBHVSA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641890 1199304521 /nfs/dbraw/zinc/30/45/21/1199304521.db2.gz ZRWWMVBPXJEVTR-LPHOPBHVSA-N 2 2 391.560 0.404 20 0 GCADLP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641890 1199304527 /nfs/dbraw/zinc/30/45/27/1199304527.db2.gz ZRWWMVBPXJEVTR-LPHOPBHVSA-N 2 2 391.560 0.404 20 0 GCADLP CC[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)C1 ZINC001002836117 1199308186 /nfs/dbraw/zinc/30/81/86/1199308186.db2.gz TYXQVNYNUBJJCL-NCOADZHNSA-N 2 2 375.473 0.160 20 0 GCADLP CC[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)C1 ZINC001002836117 1199308190 /nfs/dbraw/zinc/30/81/90/1199308190.db2.gz TYXQVNYNUBJJCL-NCOADZHNSA-N 2 2 375.473 0.160 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000672655168 1199310339 /nfs/dbraw/zinc/31/03/39/1199310339.db2.gz PIZRNMBEOAGZGP-SFHVURJKSA-N 2 2 382.549 0.936 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000672655168 1199310345 /nfs/dbraw/zinc/31/03/45/1199310345.db2.gz PIZRNMBEOAGZGP-SFHVURJKSA-N 2 2 382.549 0.936 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001002834633 1199310424 /nfs/dbraw/zinc/31/04/24/1199310424.db2.gz JZEQKYNOOYMYLT-HHARLNAUSA-N 2 2 382.468 0.977 20 0 GCADLP CC1(C)CN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1CCO ZINC000672675963 1199314912 /nfs/dbraw/zinc/31/49/12/1199314912.db2.gz LOHDLXTVNVYLOR-IBGZPJMESA-N 2 2 390.528 0.986 20 0 GCADLP CC1(C)CN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1CCO ZINC000672675963 1199314916 /nfs/dbraw/zinc/31/49/16/1199314916.db2.gz LOHDLXTVNVYLOR-IBGZPJMESA-N 2 2 390.528 0.986 20 0 GCADLP CC1(C)CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000672675963 1199314918 /nfs/dbraw/zinc/31/49/18/1199314918.db2.gz LOHDLXTVNVYLOR-IBGZPJMESA-N 2 2 390.528 0.986 20 0 GCADLP CC1(C)CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000672675963 1199314920 /nfs/dbraw/zinc/31/49/20/1199314920.db2.gz LOHDLXTVNVYLOR-IBGZPJMESA-N 2 2 390.528 0.986 20 0 GCADLP CC1(C)CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[N@@H+]1CCO ZINC000672756175 1199328162 /nfs/dbraw/zinc/32/81/62/1199328162.db2.gz IHPXYZQRLAAMIE-SFHVURJKSA-N 2 2 386.562 0.292 20 0 GCADLP CC1(C)CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[N@H+]1CCO ZINC000672756175 1199328167 /nfs/dbraw/zinc/32/81/67/1199328167.db2.gz IHPXYZQRLAAMIE-SFHVURJKSA-N 2 2 386.562 0.292 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000672764769 1199333170 /nfs/dbraw/zinc/33/31/70/1199333170.db2.gz ODNUYSNUSGATGJ-UHFFFAOYSA-N 2 2 387.484 0.528 20 0 GCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC2)C1 ZINC000672957138 1199377067 /nfs/dbraw/zinc/37/70/67/1199377067.db2.gz ZNDRAOMQOIJRRK-KRWDZBQOSA-N 2 2 384.484 0.189 20 0 GCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC2)C1 ZINC000672957138 1199377072 /nfs/dbraw/zinc/37/70/72/1199377072.db2.gz ZNDRAOMQOIJRRK-KRWDZBQOSA-N 2 2 384.484 0.189 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673054342 1199401337 /nfs/dbraw/zinc/40/13/37/1199401337.db2.gz HQMVOKLSVZOEQR-MLHJIOFPSA-N 2 2 392.544 0.543 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673054342 1199401340 /nfs/dbraw/zinc/40/13/40/1199401340.db2.gz HQMVOKLSVZOEQR-MLHJIOFPSA-N 2 2 392.544 0.543 20 0 GCADLP C[C@H](Cc1ccncc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673104568 1199422476 /nfs/dbraw/zinc/42/24/76/1199422476.db2.gz OSCVROYSNIWSHV-APWZRJJASA-N 2 2 387.528 0.756 20 0 GCADLP C[C@H](Cc1ccncc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673104568 1199422477 /nfs/dbraw/zinc/42/24/77/1199422477.db2.gz OSCVROYSNIWSHV-APWZRJJASA-N 2 2 387.528 0.756 20 0 GCADLP CN(C(=O)[C@@H]1CCCCS1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000543091039 1199446820 /nfs/dbraw/zinc/44/68/20/1199446820.db2.gz BPJUWIWJWIOFIQ-KRWDZBQOSA-N 2 2 382.574 0.969 20 0 GCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2C)C1 ZINC001003193443 1199449403 /nfs/dbraw/zinc/44/94/03/1199449403.db2.gz KUJVRMVOSYJYDV-NCOADZHNSA-N 2 2 375.473 0.160 20 0 GCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2C)C1 ZINC001003193443 1199449409 /nfs/dbraw/zinc/44/94/09/1199449409.db2.gz KUJVRMVOSYJYDV-NCOADZHNSA-N 2 2 375.473 0.160 20 0 GCADLP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673283470 1199515611 /nfs/dbraw/zinc/51/56/11/1199515611.db2.gz IPFRGSRKCZYCPY-SFHVURJKSA-N 2 2 376.501 0.764 20 0 GCADLP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673283470 1199515617 /nfs/dbraw/zinc/51/56/17/1199515617.db2.gz IPFRGSRKCZYCPY-SFHVURJKSA-N 2 2 376.501 0.764 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000673287906 1199518305 /nfs/dbraw/zinc/51/83/05/1199518305.db2.gz GQIIDKHUSBBEKF-YJBOKZPZSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1CC(C)(C)O ZINC000673287906 1199518308 /nfs/dbraw/zinc/51/83/08/1199518308.db2.gz GQIIDKHUSBBEKF-YJBOKZPZSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1CC(C)(C)O ZINC000673287906 1199518313 /nfs/dbraw/zinc/51/83/13/1199518313.db2.gz GQIIDKHUSBBEKF-YJBOKZPZSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1CC(C)(C)O ZINC000673287906 1199518315 /nfs/dbraw/zinc/51/83/15/1199518315.db2.gz GQIIDKHUSBBEKF-YJBOKZPZSA-N 2 2 388.512 0.593 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000673285859 1199520324 /nfs/dbraw/zinc/52/03/24/1199520324.db2.gz QMWPTAUFXBEBPG-FCEWJHQRSA-N 2 2 388.512 0.905 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000673285859 1199520331 /nfs/dbraw/zinc/52/03/31/1199520331.db2.gz QMWPTAUFXBEBPG-FCEWJHQRSA-N 2 2 388.512 0.905 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000673285859 1199520338 /nfs/dbraw/zinc/52/03/38/1199520338.db2.gz QMWPTAUFXBEBPG-FCEWJHQRSA-N 2 2 388.512 0.905 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000673285859 1199520343 /nfs/dbraw/zinc/52/03/43/1199520343.db2.gz QMWPTAUFXBEBPG-FCEWJHQRSA-N 2 2 388.512 0.905 20 0 GCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673302934 1199527967 /nfs/dbraw/zinc/52/79/67/1199527967.db2.gz ZXNSEDFGOUCOHX-MRXNPFEDSA-N 2 2 380.452 0.520 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000673307573 1199529312 /nfs/dbraw/zinc/52/93/12/1199529312.db2.gz GXOLXJMIHXNIQY-ROUUACIJSA-N 2 2 380.533 0.690 20 0 GCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673303854 1199529557 /nfs/dbraw/zinc/52/95/57/1199529557.db2.gz LBSUFDOEQXADQS-IAGOWNOFSA-N 2 2 389.500 0.346 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000673351138 1199566091 /nfs/dbraw/zinc/56/60/91/1199566091.db2.gz XXZPALYGUUCCNK-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000673351138 1199566095 /nfs/dbraw/zinc/56/60/95/1199566095.db2.gz XXZPALYGUUCCNK-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000673349147 1199569455 /nfs/dbraw/zinc/56/94/55/1199569455.db2.gz SUNCWGMVIWGBIW-YOEHRIQHSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000673349147 1199569459 /nfs/dbraw/zinc/56/94/59/1199569459.db2.gz SUNCWGMVIWGBIW-YOEHRIQHSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000673349147 1199569462 /nfs/dbraw/zinc/56/94/62/1199569462.db2.gz SUNCWGMVIWGBIW-YOEHRIQHSA-N 2 2 380.464 0.209 20 0 GCADLP C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673349147 1199569466 /nfs/dbraw/zinc/56/94/66/1199569466.db2.gz SUNCWGMVIWGBIW-YOEHRIQHSA-N 2 2 380.464 0.209 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001003661898 1199618609 /nfs/dbraw/zinc/61/86/09/1199618609.db2.gz JBQMOMVLHQBDFS-IDCNUPLLSA-N 2 2 382.468 0.899 20 0 GCADLP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673469357 1199685820 /nfs/dbraw/zinc/68/58/20/1199685820.db2.gz GUFOWMNYVHZVJX-NEWSRXKRSA-N 2 2 394.560 0.933 20 0 GCADLP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673469357 1199685823 /nfs/dbraw/zinc/68/58/23/1199685823.db2.gz GUFOWMNYVHZVJX-NEWSRXKRSA-N 2 2 394.560 0.933 20 0 GCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001003864185 1199689676 /nfs/dbraw/zinc/68/96/76/1199689676.db2.gz GSHKGDWRXFMPSP-BDXSIMOUSA-N 2 2 378.517 0.441 20 0 GCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001003864185 1199689678 /nfs/dbraw/zinc/68/96/78/1199689678.db2.gz GSHKGDWRXFMPSP-BDXSIMOUSA-N 2 2 378.517 0.441 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673473045 1199690649 /nfs/dbraw/zinc/69/06/49/1199690649.db2.gz UEGSKXUMPBQYBR-NEWSRXKRSA-N 2 2 392.544 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673473045 1199690651 /nfs/dbraw/zinc/69/06/51/1199690651.db2.gz UEGSKXUMPBQYBR-NEWSRXKRSA-N 2 2 392.544 0.687 20 0 GCADLP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000673534075 1199739675 /nfs/dbraw/zinc/73/96/75/1199739675.db2.gz PWVBSXJLKLJEMK-KRWDZBQOSA-N 2 2 388.468 0.003 20 0 GCADLP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000673534075 1199739680 /nfs/dbraw/zinc/73/96/80/1199739680.db2.gz PWVBSXJLKLJEMK-KRWDZBQOSA-N 2 2 388.468 0.003 20 0 GCADLP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000673534075 1199739685 /nfs/dbraw/zinc/73/96/85/1199739685.db2.gz PWVBSXJLKLJEMK-KRWDZBQOSA-N 2 2 388.468 0.003 20 0 GCADLP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000673534075 1199739689 /nfs/dbraw/zinc/73/96/89/1199739689.db2.gz PWVBSXJLKLJEMK-KRWDZBQOSA-N 2 2 388.468 0.003 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](CC)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000329383990 1199840629 /nfs/dbraw/zinc/84/06/29/1199840629.db2.gz OUGKLBFZNAGWAQ-XLAORIBOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](CC)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000329383990 1199840636 /nfs/dbraw/zinc/84/06/36/1199840636.db2.gz OUGKLBFZNAGWAQ-XLAORIBOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](CC)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000329383990 1199840642 /nfs/dbraw/zinc/84/06/42/1199840642.db2.gz OUGKLBFZNAGWAQ-XLAORIBOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](CC)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000329383990 1199840647 /nfs/dbraw/zinc/84/06/47/1199840647.db2.gz OUGKLBFZNAGWAQ-XLAORIBOSA-N 2 2 380.533 0.639 20 0 GCADLP COCCC1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000625410351 1199949793 /nfs/dbraw/zinc/94/97/93/1199949793.db2.gz UWUFYIHIVGILME-UHFFFAOYSA-N 2 2 382.549 0.746 20 0 GCADLP COCCC1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000625410351 1199949794 /nfs/dbraw/zinc/94/97/94/1199949794.db2.gz UWUFYIHIVGILME-UHFFFAOYSA-N 2 2 382.549 0.746 20 0 GCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000625607022 1200086983 /nfs/dbraw/zinc/08/69/83/1200086983.db2.gz YAZXUSYZEYGZSA-UHFFFAOYSA-N 2 2 399.561 0.547 20 0 GCADLP CO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000946818830 1200174619 /nfs/dbraw/zinc/17/46/19/1200174619.db2.gz PNIIOQYXEGSIPK-KCYZZUKISA-N 2 2 386.456 0.071 20 0 GCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001005338723 1200260200 /nfs/dbraw/zinc/26/02/00/1200260200.db2.gz PHDNSKZPBSBEMX-NCOADZHNSA-N 2 2 375.473 0.310 20 0 GCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001005338723 1200260206 /nfs/dbraw/zinc/26/02/06/1200260206.db2.gz PHDNSKZPBSBEMX-NCOADZHNSA-N 2 2 375.473 0.310 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005492407 1200309383 /nfs/dbraw/zinc/30/93/83/1200309383.db2.gz NEFNQUDTRDPJBA-BDXSIMOUSA-N 2 2 378.517 0.297 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005492407 1200309389 /nfs/dbraw/zinc/30/93/89/1200309389.db2.gz NEFNQUDTRDPJBA-BDXSIMOUSA-N 2 2 378.517 0.297 20 0 GCADLP COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670482239 1200314027 /nfs/dbraw/zinc/31/40/27/1200314027.db2.gz RQFFFOODCYJPQG-QGZVFWFLSA-N 2 2 388.512 0.639 20 0 GCADLP COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670482239 1200314037 /nfs/dbraw/zinc/31/40/37/1200314037.db2.gz RQFFFOODCYJPQG-QGZVFWFLSA-N 2 2 388.512 0.639 20 0 GCADLP COc1ccccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670493796 1200357193 /nfs/dbraw/zinc/35/71/93/1200357193.db2.gz BVGYRLVGKMWZEL-SFHVURJKSA-N 2 2 388.512 0.938 20 0 GCADLP COc1ccccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670493796 1200357202 /nfs/dbraw/zinc/35/72/02/1200357202.db2.gz BVGYRLVGKMWZEL-SFHVURJKSA-N 2 2 388.512 0.938 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000670502802 1200377803 /nfs/dbraw/zinc/37/78/03/1200377803.db2.gz CTBNWDAUHJYIHO-MOPGFXCFSA-N 2 2 388.512 0.729 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000670502804 1200378230 /nfs/dbraw/zinc/37/82/30/1200378230.db2.gz CTBNWDAUHJYIHO-RBUKOAKNSA-N 2 2 388.512 0.729 20 0 GCADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C(=O)N1c1cnn(C)c1 ZINC000675553359 1200432330 /nfs/dbraw/zinc/43/23/30/1200432330.db2.gz VUPFFCGAWGSBDI-YOEHRIQHSA-N 2 2 384.488 0.246 20 0 GCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C(=O)N1c1cnn(C)c1 ZINC000675553357 1200432487 /nfs/dbraw/zinc/43/24/87/1200432487.db2.gz VUPFFCGAWGSBDI-RHSMWYFYSA-N 2 2 384.488 0.246 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000676270613 1200524641 /nfs/dbraw/zinc/52/46/41/1200524641.db2.gz UQBFMMRLWSVPIV-INIZCTEOSA-N 2 2 387.484 0.766 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000676270613 1200524647 /nfs/dbraw/zinc/52/46/47/1200524647.db2.gz UQBFMMRLWSVPIV-INIZCTEOSA-N 2 2 387.484 0.766 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000676272970 1200525532 /nfs/dbraw/zinc/52/55/32/1200525532.db2.gz RAUKATMIINFZAK-AWEZNQCLSA-N 2 2 375.473 0.623 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000676272970 1200525535 /nfs/dbraw/zinc/52/55/35/1200525535.db2.gz RAUKATMIINFZAK-AWEZNQCLSA-N 2 2 375.473 0.623 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H]3Cn3cc[nH+]c3)n2)CC1 ZINC000572698168 1200672492 /nfs/dbraw/zinc/67/24/92/1200672492.db2.gz SASMFECVLQGZEO-INIZCTEOSA-N 2 2 385.472 0.976 20 0 GCADLP C[NH+]1CCC(n2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)n2)CC1 ZINC000330208644 1200675832 /nfs/dbraw/zinc/67/58/32/1200675832.db2.gz GXEVPILZQKHPJH-KRWDZBQOSA-N 2 2 376.505 1.478 20 0 GCADLP C[C@H]1C[NH+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)O1 ZINC000438353927 1200695207 /nfs/dbraw/zinc/69/52/07/1200695207.db2.gz FJCZXPHFXZWULH-IRXDYDNUSA-N 2 2 394.520 0.836 20 0 GCADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000554473219 1200700071 /nfs/dbraw/zinc/70/00/71/1200700071.db2.gz QOWYZDSTGWAGCH-DLBZAZTESA-N 2 2 376.505 1.306 20 0 GCADLP O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000444899278 1200784740 /nfs/dbraw/zinc/78/47/40/1200784740.db2.gz PWDJASQZRILHDM-UHFFFAOYSA-N 2 2 376.505 1.211 20 0 GCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521191 1201063010 /nfs/dbraw/zinc/06/30/10/1201063010.db2.gz RVXYIWZGTOFRTN-QLFBSQMISA-N 2 2 380.514 0.805 20 0 GCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521191 1201063018 /nfs/dbraw/zinc/06/30/18/1201063018.db2.gz RVXYIWZGTOFRTN-QLFBSQMISA-N 2 2 380.514 0.805 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951570 1201261307 /nfs/dbraw/zinc/26/13/07/1201261307.db2.gz UPWLUTCKWKHDFY-BRSBDYLESA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951570 1201261313 /nfs/dbraw/zinc/26/13/13/1201261313.db2.gz UPWLUTCKWKHDFY-BRSBDYLESA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951570 1201261317 /nfs/dbraw/zinc/26/13/17/1201261317.db2.gz UPWLUTCKWKHDFY-BRSBDYLESA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951570 1201261321 /nfs/dbraw/zinc/26/13/21/1201261321.db2.gz UPWLUTCKWKHDFY-BRSBDYLESA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC[N@@H+]1C ZINC001080902839 1201284434 /nfs/dbraw/zinc/28/44/34/1201284434.db2.gz OEHAWUPDNHTUTB-KLHDSHLOSA-N 2 2 389.500 0.323 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC[N@H+]1C ZINC001080902839 1201284438 /nfs/dbraw/zinc/28/44/38/1201284438.db2.gz OEHAWUPDNHTUTB-KLHDSHLOSA-N 2 2 389.500 0.323 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC[N@@H+]1C ZINC001080902839 1201284443 /nfs/dbraw/zinc/28/44/43/1201284443.db2.gz OEHAWUPDNHTUTB-KLHDSHLOSA-N 2 2 389.500 0.323 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC[N@H+]1C ZINC001080902839 1201284448 /nfs/dbraw/zinc/28/44/48/1201284448.db2.gz OEHAWUPDNHTUTB-KLHDSHLOSA-N 2 2 389.500 0.323 20 0 GCADLP CO[C@@H]1C[N@H+](CCOc2ccccc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847939 1201305751 /nfs/dbraw/zinc/30/57/51/1201305751.db2.gz BTOWDBOPWRGBDT-HNBVOPMISA-N 2 2 391.512 0.908 20 0 GCADLP CO[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847939 1201305754 /nfs/dbraw/zinc/30/57/54/1201305754.db2.gz BTOWDBOPWRGBDT-HNBVOPMISA-N 2 2 391.512 0.908 20 0 GCADLP CO[C@@H]1C[NH+](CCOc2ccccc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081847939 1201305758 /nfs/dbraw/zinc/30/57/58/1201305758.db2.gz BTOWDBOPWRGBDT-HNBVOPMISA-N 2 2 391.512 0.908 20 0 GCADLP CO[C@@H]1C[NH+](CCOc2ccccc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081847939 1201305765 /nfs/dbraw/zinc/30/57/65/1201305765.db2.gz BTOWDBOPWRGBDT-HNBVOPMISA-N 2 2 391.512 0.908 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001082590113 1201338492 /nfs/dbraw/zinc/33/84/92/1201338492.db2.gz CRASWOGHEOGJEU-MUIFIZLQSA-N 2 2 378.521 0.689 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001082590113 1201338495 /nfs/dbraw/zinc/33/84/95/1201338495.db2.gz CRASWOGHEOGJEU-MUIFIZLQSA-N 2 2 378.521 0.689 20 0 GCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)s1 ZINC001082589692 1201338995 /nfs/dbraw/zinc/33/89/95/1201338995.db2.gz LJFRLQCSDJMSED-AAVRWANBSA-N 2 2 383.518 0.592 20 0 GCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)s1 ZINC001082589692 1201339001 /nfs/dbraw/zinc/33/90/01/1201339001.db2.gz LJFRLQCSDJMSED-AAVRWANBSA-N 2 2 383.518 0.592 20 0 GCADLP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590390 1201340581 /nfs/dbraw/zinc/34/05/81/1201340581.db2.gz UCTCNHTZRMAKLO-KLHDSHLOSA-N 2 2 379.509 0.129 20 0 GCADLP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590390 1201340584 /nfs/dbraw/zinc/34/05/84/1201340584.db2.gz UCTCNHTZRMAKLO-KLHDSHLOSA-N 2 2 379.509 0.129 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C(N)=O)c4)C[C@@H]32)CC[N@@H+]1C ZINC001083086286 1201383944 /nfs/dbraw/zinc/38/39/44/1201383944.db2.gz JXFRTAUMIOUWDQ-DQEVTTJGSA-N 2 2 386.496 0.537 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C(N)=O)c4)C[C@@H]32)CC[N@H+]1C ZINC001083086286 1201383953 /nfs/dbraw/zinc/38/39/53/1201383953.db2.gz JXFRTAUMIOUWDQ-DQEVTTJGSA-N 2 2 386.496 0.537 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(C(N)=O)c4)C[C@@H]32)CC[NH+]1C ZINC001083086286 1201383960 /nfs/dbraw/zinc/38/39/60/1201383960.db2.gz JXFRTAUMIOUWDQ-DQEVTTJGSA-N 2 2 386.496 0.537 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(C(N)=O)c4)C[C@@H]32)CC[NH+]1C ZINC001083086286 1201383968 /nfs/dbraw/zinc/38/39/68/1201383968.db2.gz JXFRTAUMIOUWDQ-DQEVTTJGSA-N 2 2 386.496 0.537 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCO[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 ZINC001083151335 1201393303 /nfs/dbraw/zinc/39/33/03/1201393303.db2.gz UZQRXGDOALSBIH-FUMNGEBKSA-N 2 2 393.528 0.578 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCO[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]21 ZINC001083151335 1201393307 /nfs/dbraw/zinc/39/33/07/1201393307.db2.gz UZQRXGDOALSBIH-FUMNGEBKSA-N 2 2 393.528 0.578 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C[C@H](C)O1 ZINC000497513469 1201404045 /nfs/dbraw/zinc/40/40/45/1201404045.db2.gz ZPXIMOHDWURISN-JAVUXZIZSA-N 2 2 380.577 0.699 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C[C@H](C)O1 ZINC000497513469 1201404048 /nfs/dbraw/zinc/40/40/48/1201404048.db2.gz ZPXIMOHDWURISN-JAVUXZIZSA-N 2 2 380.577 0.699 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000497513469 1201404050 /nfs/dbraw/zinc/40/40/50/1201404050.db2.gz ZPXIMOHDWURISN-JAVUXZIZSA-N 2 2 380.577 0.699 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000497513469 1201404053 /nfs/dbraw/zinc/40/40/53/1201404053.db2.gz ZPXIMOHDWURISN-JAVUXZIZSA-N 2 2 380.577 0.699 20 0 GCADLP Cc1noc(CCC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447264 1201412078 /nfs/dbraw/zinc/41/20/78/1201412078.db2.gz GMZZDZDTQKJJOS-MWQQHZPXSA-N 2 2 377.489 0.562 20 0 GCADLP Cc1noc(CCC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447264 1201412082 /nfs/dbraw/zinc/41/20/82/1201412082.db2.gz GMZZDZDTQKJJOS-MWQQHZPXSA-N 2 2 377.489 0.562 20 0 GCADLP Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447264 1201412093 /nfs/dbraw/zinc/41/20/93/1201412093.db2.gz GMZZDZDTQKJJOS-MWQQHZPXSA-N 2 2 377.489 0.562 20 0 GCADLP Cc1cc(OCC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000729979841 1201423040 /nfs/dbraw/zinc/42/30/40/1201423040.db2.gz GUERIRWRVFJVCQ-UHFFFAOYSA-N 2 2 393.488 0.059 20 0 GCADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175075945 1201437478 /nfs/dbraw/zinc/43/74/78/1201437478.db2.gz WOBHTVIAZZRRAG-IEBWSBKVSA-N 2 2 380.533 0.994 20 0 GCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970098 1201513935 /nfs/dbraw/zinc/51/39/35/1201513935.db2.gz OEYWYNWUAZMRKR-XYVMCAHJSA-N 2 2 376.505 0.440 20 0 GCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970098 1201513938 /nfs/dbraw/zinc/51/39/38/1201513938.db2.gz OEYWYNWUAZMRKR-XYVMCAHJSA-N 2 2 376.505 0.440 20 0 GCADLP CCn1nncc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970098 1201513942 /nfs/dbraw/zinc/51/39/42/1201513942.db2.gz OEYWYNWUAZMRKR-XYVMCAHJSA-N 2 2 376.505 0.440 20 0 GCADLP CCn1nncc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970098 1201513946 /nfs/dbraw/zinc/51/39/46/1201513946.db2.gz OEYWYNWUAZMRKR-XYVMCAHJSA-N 2 2 376.505 0.440 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3csc(-c4nc[nH]n4)n3)C2)CC1 ZINC000732778835 1201560805 /nfs/dbraw/zinc/56/08/05/1201560805.db2.gz KBIDHLBFVZSPNW-GFCCVEGCSA-N 2 2 375.502 0.755 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3csc(-c4nc[nH]n4)n3)C2)CC1 ZINC000732778835 1201560808 /nfs/dbraw/zinc/56/08/08/1201560808.db2.gz KBIDHLBFVZSPNW-GFCCVEGCSA-N 2 2 375.502 0.755 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000734487682 1201652912 /nfs/dbraw/zinc/65/29/12/1201652912.db2.gz ULKNEBCCQXYGQX-ZWKOTPCHSA-N 2 2 395.548 0.387 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000734487682 1201652927 /nfs/dbraw/zinc/65/29/27/1201652927.db2.gz ULKNEBCCQXYGQX-ZWKOTPCHSA-N 2 2 395.548 0.387 20 0 GCADLP CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734512061 1201654744 /nfs/dbraw/zinc/65/47/44/1201654744.db2.gz AHLXOBNBEMYRGD-MRXNPFEDSA-N 2 2 395.529 0.966 20 0 GCADLP CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734512061 1201654746 /nfs/dbraw/zinc/65/47/46/1201654746.db2.gz AHLXOBNBEMYRGD-MRXNPFEDSA-N 2 2 395.529 0.966 20 0 GCADLP O=C1NC2(CCOCC2)C(=O)N1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738110993 1201734314 /nfs/dbraw/zinc/73/43/14/1201734314.db2.gz LQXZZNPFXATRLO-UHFFFAOYSA-N 2 2 380.489 0.479 20 0 GCADLP O=C(NCC[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1)c1ccccc1F ZINC000738882768 1201738184 /nfs/dbraw/zinc/73/81/84/1201738184.db2.gz UZPJNHYGEFXLNP-QGZVFWFLSA-N 2 2 378.492 0.630 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000741408110 1201778129 /nfs/dbraw/zinc/77/81/29/1201778129.db2.gz OPWCSMWJAWPHIE-PXNSSMCTSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000741408110 1201778135 /nfs/dbraw/zinc/77/81/35/1201778135.db2.gz OPWCSMWJAWPHIE-PXNSSMCTSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000741408110 1201778138 /nfs/dbraw/zinc/77/81/38/1201778138.db2.gz OPWCSMWJAWPHIE-PXNSSMCTSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000741408110 1201778140 /nfs/dbraw/zinc/77/81/40/1201778140.db2.gz OPWCSMWJAWPHIE-PXNSSMCTSA-N 2 2 376.501 0.643 20 0 GCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000743944603 1201828631 /nfs/dbraw/zinc/82/86/31/1201828631.db2.gz KKCFBMSFCSLUJZ-INIZCTEOSA-N 2 2 398.467 0.695 20 0 GCADLP O=C1NC2(CCOCC2)C(=O)N1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000744441711 1201843715 /nfs/dbraw/zinc/84/37/15/1201843715.db2.gz UDUALNDRRMWJQU-UHFFFAOYSA-N 2 2 380.489 0.622 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3nnc4ccccc4c3=O)CC2)CC1 ZINC000050800633 1201913161 /nfs/dbraw/zinc/91/31/61/1201913161.db2.gz HXOWAMHRAKCVLU-UHFFFAOYSA-N 2 2 384.484 0.466 20 0 GCADLP Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)C2=O)cn1 ZINC000746373502 1201915190 /nfs/dbraw/zinc/91/51/90/1201915190.db2.gz TWLCPPIAIGVUSP-GOSISDBHSA-N 2 2 389.500 0.339 20 0 GCADLP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(-n3nnnc3C[NH3+])c2c1C ZINC001168920382 1201928581 /nfs/dbraw/zinc/92/85/81/1201928581.db2.gz FDPHZDCDKSDUPP-UHFFFAOYSA-N 2 2 376.446 0.672 20 0 GCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001109371540 1202031558 /nfs/dbraw/zinc/03/15/58/1202031558.db2.gz JCCPUWLCEOPTJL-VSZNYVQBSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001109371540 1202031559 /nfs/dbraw/zinc/03/15/59/1202031559.db2.gz JCCPUWLCEOPTJL-VSZNYVQBSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001109371540 1202031560 /nfs/dbraw/zinc/03/15/60/1202031560.db2.gz JCCPUWLCEOPTJL-VSZNYVQBSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001109371540 1202031563 /nfs/dbraw/zinc/03/15/63/1202031563.db2.gz JCCPUWLCEOPTJL-VSZNYVQBSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001109371539 1202031710 /nfs/dbraw/zinc/03/17/10/1202031710.db2.gz JCCPUWLCEOPTJL-OWSLCNJRSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001109371539 1202031712 /nfs/dbraw/zinc/03/17/12/1202031712.db2.gz JCCPUWLCEOPTJL-OWSLCNJRSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001109371539 1202031715 /nfs/dbraw/zinc/03/17/15/1202031715.db2.gz JCCPUWLCEOPTJL-OWSLCNJRSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001109371539 1202031719 /nfs/dbraw/zinc/03/17/19/1202031719.db2.gz JCCPUWLCEOPTJL-OWSLCNJRSA-N 2 2 380.533 0.735 20 0 GCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001109398148 1202037294 /nfs/dbraw/zinc/03/72/94/1202037294.db2.gz SIRWXWUZZAAQSM-OWSLCNJRSA-N 2 2 378.517 0.487 20 0 GCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001109398148 1202037297 /nfs/dbraw/zinc/03/72/97/1202037297.db2.gz SIRWXWUZZAAQSM-OWSLCNJRSA-N 2 2 378.517 0.487 20 0 GCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C2 ZINC001109398148 1202037299 /nfs/dbraw/zinc/03/72/99/1202037299.db2.gz SIRWXWUZZAAQSM-OWSLCNJRSA-N 2 2 378.517 0.487 20 0 GCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C2 ZINC001109398148 1202037302 /nfs/dbraw/zinc/03/73/02/1202037302.db2.gz SIRWXWUZZAAQSM-OWSLCNJRSA-N 2 2 378.517 0.487 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCOCC2)CCC1 ZINC001109402147 1202038266 /nfs/dbraw/zinc/03/82/66/1202038266.db2.gz IYPWIENCXFVFII-IKGGRYGDSA-N 2 2 378.517 0.487 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCOCC2)CCC1 ZINC001109402147 1202038268 /nfs/dbraw/zinc/03/82/68/1202038268.db2.gz IYPWIENCXFVFII-IKGGRYGDSA-N 2 2 378.517 0.487 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109406359 1202039567 /nfs/dbraw/zinc/03/95/67/1202039567.db2.gz YDBLZNQTNHELLW-UKMLZYKCSA-N 2 2 379.505 0.426 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109406359 1202039568 /nfs/dbraw/zinc/03/95/68/1202039568.db2.gz YDBLZNQTNHELLW-UKMLZYKCSA-N 2 2 379.505 0.426 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109406359 1202039570 /nfs/dbraw/zinc/03/95/70/1202039570.db2.gz YDBLZNQTNHELLW-UKMLZYKCSA-N 2 2 379.505 0.426 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109406359 1202039571 /nfs/dbraw/zinc/03/95/71/1202039571.db2.gz YDBLZNQTNHELLW-UKMLZYKCSA-N 2 2 379.505 0.426 20 0 GCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1)C1CCC1 ZINC001109411578 1202040100 /nfs/dbraw/zinc/04/01/00/1202040100.db2.gz ASJGZKHVZZIEOJ-RANZSIQMSA-N 2 2 378.517 0.345 20 0 GCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1)C1CCC1 ZINC001109411578 1202040101 /nfs/dbraw/zinc/04/01/01/1202040101.db2.gz ASJGZKHVZZIEOJ-RANZSIQMSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1)C1CCC1 ZINC001109411578 1202040102 /nfs/dbraw/zinc/04/01/02/1202040102.db2.gz ASJGZKHVZZIEOJ-RANZSIQMSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1)C1CCC1 ZINC001109411578 1202040106 /nfs/dbraw/zinc/04/01/06/1202040106.db2.gz ASJGZKHVZZIEOJ-RANZSIQMSA-N 2 2 378.517 0.345 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109444157 1202052625 /nfs/dbraw/zinc/05/26/25/1202052625.db2.gz UVXRKWYGJSOXSK-QXSJWSMHSA-N 2 2 381.521 0.674 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109444157 1202052627 /nfs/dbraw/zinc/05/26/27/1202052627.db2.gz UVXRKWYGJSOXSK-QXSJWSMHSA-N 2 2 381.521 0.674 20 0 GCADLP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000769495775 1202059537 /nfs/dbraw/zinc/05/95/37/1202059537.db2.gz UIZXYSOSQQKSTR-HOTGVXAUSA-N 2 2 384.521 0.765 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109527340 1202071690 /nfs/dbraw/zinc/07/16/90/1202071690.db2.gz OTRNFQDDNCCDFN-NCOADZHNSA-N 2 2 375.473 0.066 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109527340 1202071691 /nfs/dbraw/zinc/07/16/91/1202071691.db2.gz OTRNFQDDNCCDFN-NCOADZHNSA-N 2 2 375.473 0.066 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525893 1202071777 /nfs/dbraw/zinc/07/17/77/1202071777.db2.gz NDYCHQRZJSDLOU-XGUBFFRZSA-N 2 2 376.461 0.147 20 0 GCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525893 1202071779 /nfs/dbraw/zinc/07/17/79/1202071779.db2.gz NDYCHQRZJSDLOU-XGUBFFRZSA-N 2 2 376.461 0.147 20 0 GCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538695 1202076020 /nfs/dbraw/zinc/07/60/20/1202076020.db2.gz OLCFIXBXDORUJK-FXNRMWDQSA-N 2 2 376.501 0.097 20 0 GCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538695 1202076022 /nfs/dbraw/zinc/07/60/22/1202076022.db2.gz OLCFIXBXDORUJK-FXNRMWDQSA-N 2 2 376.501 0.097 20 0 GCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538695 1202076024 /nfs/dbraw/zinc/07/60/24/1202076024.db2.gz OLCFIXBXDORUJK-FXNRMWDQSA-N 2 2 376.501 0.097 20 0 GCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538695 1202076027 /nfs/dbraw/zinc/07/60/27/1202076027.db2.gz OLCFIXBXDORUJK-FXNRMWDQSA-N 2 2 376.501 0.097 20 0 GCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639685 1202095172 /nfs/dbraw/zinc/09/51/72/1202095172.db2.gz YWOYEALWEQJJBO-VSZNYVQBSA-N 2 2 380.533 0.733 20 0 GCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639685 1202095175 /nfs/dbraw/zinc/09/51/75/1202095175.db2.gz YWOYEALWEQJJBO-VSZNYVQBSA-N 2 2 380.533 0.733 20 0 GCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639685 1202095177 /nfs/dbraw/zinc/09/51/77/1202095177.db2.gz YWOYEALWEQJJBO-VSZNYVQBSA-N 2 2 380.533 0.733 20 0 GCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639685 1202095180 /nfs/dbraw/zinc/09/51/80/1202095180.db2.gz YWOYEALWEQJJBO-VSZNYVQBSA-N 2 2 380.533 0.733 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@H]2CCOC2)CC1 ZINC001109651362 1202098479 /nfs/dbraw/zinc/09/84/79/1202098479.db2.gz WXBVIHHWZGAYTI-NCOADZHNSA-N 2 2 378.517 0.202 20 0 GCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@H]2CCOC2)CC1 ZINC001109651362 1202098481 /nfs/dbraw/zinc/09/84/81/1202098481.db2.gz WXBVIHHWZGAYTI-NCOADZHNSA-N 2 2 378.517 0.202 20 0 GCADLP CC(C)CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672638 1202103498 /nfs/dbraw/zinc/10/34/98/1202103498.db2.gz NTOGRBAZKCGZCX-SQNIBIBYSA-N 2 2 382.549 0.839 20 0 GCADLP CC(C)CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672638 1202103499 /nfs/dbraw/zinc/10/34/99/1202103499.db2.gz NTOGRBAZKCGZCX-SQNIBIBYSA-N 2 2 382.549 0.839 20 0 GCADLP CC1(C)CCC[N@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000770568229 1202103703 /nfs/dbraw/zinc/10/37/03/1202103703.db2.gz LEGTZSUFZHVWGP-UHFFFAOYSA-N 2 2 388.578 0.917 20 0 GCADLP CC1(C)CCC[N@@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000770568229 1202103704 /nfs/dbraw/zinc/10/37/04/1202103704.db2.gz LEGTZSUFZHVWGP-UHFFFAOYSA-N 2 2 388.578 0.917 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000770569517 1202103752 /nfs/dbraw/zinc/10/37/52/1202103752.db2.gz UPSLSGUMEHMROR-UHFFFAOYSA-N 2 2 386.562 0.669 20 0 GCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001109686421 1202104190 /nfs/dbraw/zinc/10/41/90/1202104190.db2.gz UYRFWCYBGHDTCZ-VUHPKUFZSA-N 2 2 380.533 0.589 20 0 GCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001109686421 1202104196 /nfs/dbraw/zinc/10/41/96/1202104196.db2.gz UYRFWCYBGHDTCZ-VUHPKUFZSA-N 2 2 380.533 0.589 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724172 1202110294 /nfs/dbraw/zinc/11/02/94/1202110294.db2.gz FOKFLGLXMYAFLQ-XGUBFFRZSA-N 2 2 379.505 0.284 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724172 1202110295 /nfs/dbraw/zinc/11/02/95/1202110295.db2.gz FOKFLGLXMYAFLQ-XGUBFFRZSA-N 2 2 379.505 0.284 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109724172 1202110296 /nfs/dbraw/zinc/11/02/96/1202110296.db2.gz FOKFLGLXMYAFLQ-XGUBFFRZSA-N 2 2 379.505 0.284 20 0 GCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109724172 1202110297 /nfs/dbraw/zinc/11/02/97/1202110297.db2.gz FOKFLGLXMYAFLQ-XGUBFFRZSA-N 2 2 379.505 0.284 20 0 GCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001109843063 1202134010 /nfs/dbraw/zinc/13/40/10/1202134010.db2.gz AIASDXAMWMAGQG-VSZNYVQBSA-N 2 2 378.517 0.489 20 0 GCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001109843063 1202134012 /nfs/dbraw/zinc/13/40/12/1202134012.db2.gz AIASDXAMWMAGQG-VSZNYVQBSA-N 2 2 378.517 0.489 20 0 GCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(N)=O ZINC001109846500 1202134334 /nfs/dbraw/zinc/13/43/34/1202134334.db2.gz MRHKRUZNFNZQNO-RZFFKMDDSA-N 2 2 376.461 0.277 20 0 GCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(N)=O ZINC001109846500 1202134338 /nfs/dbraw/zinc/13/43/38/1202134338.db2.gz MRHKRUZNFNZQNO-RZFFKMDDSA-N 2 2 376.461 0.277 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109868248 1202139946 /nfs/dbraw/zinc/13/99/46/1202139946.db2.gz IDPKQLGMRDVKIA-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109868248 1202139949 /nfs/dbraw/zinc/13/99/49/1202139949.db2.gz IDPKQLGMRDVKIA-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109868651 1202140641 /nfs/dbraw/zinc/14/06/41/1202140641.db2.gz ZZHWKLXZSKNMRV-PMPSAXMXSA-N 2 2 381.521 0.532 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109868651 1202140642 /nfs/dbraw/zinc/14/06/42/1202140642.db2.gz ZZHWKLXZSKNMRV-PMPSAXMXSA-N 2 2 381.521 0.532 20 0 GCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109977788 1202165292 /nfs/dbraw/zinc/16/52/92/1202165292.db2.gz ZONSBRIZZADMBT-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109977788 1202165294 /nfs/dbraw/zinc/16/52/94/1202165294.db2.gz ZONSBRIZZADMBT-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)NC[C@@H]1CCCO1 ZINC001109981311 1202166436 /nfs/dbraw/zinc/16/64/36/1202166436.db2.gz OJQRERWFNHBTKX-QZWWFDLISA-N 2 2 376.501 0.099 20 0 GCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)NC[C@@H]1CCCO1 ZINC001109981311 1202166437 /nfs/dbraw/zinc/16/64/37/1202166437.db2.gz OJQRERWFNHBTKX-QZWWFDLISA-N 2 2 376.501 0.099 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001110005776 1202172636 /nfs/dbraw/zinc/17/26/36/1202172636.db2.gz CHOCQBHBUNDGOK-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001110005776 1202172638 /nfs/dbraw/zinc/17/26/38/1202172638.db2.gz CHOCQBHBUNDGOK-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001110013505 1202174672 /nfs/dbraw/zinc/17/46/72/1202174672.db2.gz MJCQLWJDWHPMJD-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001110013505 1202174674 /nfs/dbraw/zinc/17/46/74/1202174674.db2.gz MJCQLWJDWHPMJD-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001110013505 1202174677 /nfs/dbraw/zinc/17/46/77/1202174677.db2.gz MJCQLWJDWHPMJD-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001110013505 1202174680 /nfs/dbraw/zinc/17/46/80/1202174680.db2.gz MJCQLWJDWHPMJD-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788648626 1205426409 /nfs/dbraw/zinc/42/64/09/1205426409.db2.gz ZJWZGYOLYKTFFY-NVXWUHKLSA-N 2 2 396.532 0.765 20 0 GCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000790191987 1205458490 /nfs/dbraw/zinc/45/84/90/1205458490.db2.gz PAOBTBSFCNPLDA-AWEZNQCLSA-N 2 2 391.516 0.323 20 0 GCADLP O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790388455 1205462872 /nfs/dbraw/zinc/46/28/72/1205462872.db2.gz STHFMQBVUZCOKG-WBMJQRKESA-N 2 2 390.406 0.861 20 0 GCADLP O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790388455 1205462874 /nfs/dbraw/zinc/46/28/74/1205462874.db2.gz STHFMQBVUZCOKG-WBMJQRKESA-N 2 2 390.406 0.861 20 0 GCADLP O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790388452 1205462901 /nfs/dbraw/zinc/46/29/01/1205462901.db2.gz STHFMQBVUZCOKG-BLLLJJGKSA-N 2 2 390.406 0.861 20 0 GCADLP O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790388452 1205462902 /nfs/dbraw/zinc/46/29/02/1205462902.db2.gz STHFMQBVUZCOKG-BLLLJJGKSA-N 2 2 390.406 0.861 20 0 GCADLP O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790388453 1205462955 /nfs/dbraw/zinc/46/29/55/1205462955.db2.gz STHFMQBVUZCOKG-LRDDRELGSA-N 2 2 390.406 0.861 20 0 GCADLP O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790388453 1205462956 /nfs/dbraw/zinc/46/29/56/1205462956.db2.gz STHFMQBVUZCOKG-LRDDRELGSA-N 2 2 390.406 0.861 20 0 GCADLP C[NH+]1CCN(CCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792034043 1205483584 /nfs/dbraw/zinc/48/35/84/1205483584.db2.gz PJNCFAFDOOTSPS-UHFFFAOYSA-N 2 2 383.537 0.293 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792165111 1205484502 /nfs/dbraw/zinc/48/45/02/1205484502.db2.gz IPOTVJOLJCYBGY-MRXNPFEDSA-N 2 2 383.537 0.291 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792165111 1205484504 /nfs/dbraw/zinc/48/45/04/1205484504.db2.gz IPOTVJOLJCYBGY-MRXNPFEDSA-N 2 2 383.537 0.291 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792165109 1205484582 /nfs/dbraw/zinc/48/45/82/1205484582.db2.gz IPOTVJOLJCYBGY-INIZCTEOSA-N 2 2 383.537 0.291 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792165109 1205484584 /nfs/dbraw/zinc/48/45/84/1205484584.db2.gz IPOTVJOLJCYBGY-INIZCTEOSA-N 2 2 383.537 0.291 20 0 GCADLP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000792168850 1205484591 /nfs/dbraw/zinc/48/45/91/1205484591.db2.gz CFUNBMZRPQZVKZ-QGZVFWFLSA-N 2 2 397.564 0.681 20 0 GCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC(C(N)=O)CC3)nc[nH+]2)O1 ZINC001170274089 1205490378 /nfs/dbraw/zinc/49/03/78/1205490378.db2.gz VVMRHNBIZODMAQ-LBTNJELSSA-N 2 2 378.477 0.315 20 0 GCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC(C(N)=O)CC3)[nH+]cn2)O1 ZINC001170274089 1205490379 /nfs/dbraw/zinc/49/03/79/1205490379.db2.gz VVMRHNBIZODMAQ-LBTNJELSSA-N 2 2 378.477 0.315 20 0 GCADLP C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793678350 1205502434 /nfs/dbraw/zinc/50/24/34/1205502434.db2.gz FFZGSAZNVKQIEQ-SJORKVTESA-N 2 2 388.512 0.855 20 0 GCADLP C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793678350 1205502435 /nfs/dbraw/zinc/50/24/35/1205502435.db2.gz FFZGSAZNVKQIEQ-SJORKVTESA-N 2 2 388.512 0.855 20 0 GCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793715991 1205503299 /nfs/dbraw/zinc/50/32/99/1205503299.db2.gz BSIJCSPPQQRARF-IAGOWNOFSA-N 2 2 383.452 0.468 20 0 GCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793715991 1205503301 /nfs/dbraw/zinc/50/33/01/1205503301.db2.gz BSIJCSPPQQRARF-IAGOWNOFSA-N 2 2 383.452 0.468 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000793706323 1205504636 /nfs/dbraw/zinc/50/46/36/1205504636.db2.gz GKCMUVNZWPEATF-FGTMMUONSA-N 2 2 380.533 0.737 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793702998 1205504653 /nfs/dbraw/zinc/50/46/53/1205504653.db2.gz VNMDGLWGVQTAKB-SJORKVTESA-N 3 2 379.549 0.262 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793702998 1205504654 /nfs/dbraw/zinc/50/46/54/1205504654.db2.gz VNMDGLWGVQTAKB-SJORKVTESA-N 3 2 379.549 0.262 20 0 GCADLP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129898603 1205524603 /nfs/dbraw/zinc/52/46/03/1205524603.db2.gz YSIFPVYETGKMAS-AHCXZYCDSA-N 2 2 387.488 0.963 20 0 GCADLP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129898603 1205524605 /nfs/dbraw/zinc/52/46/05/1205524605.db2.gz YSIFPVYETGKMAS-AHCXZYCDSA-N 2 2 387.488 0.963 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccc(Cl)nc3)C2)CC1 ZINC000806211294 1205551643 /nfs/dbraw/zinc/55/16/43/1205551643.db2.gz WDWJMPBGECFVKV-HNNXBMFYSA-N 2 2 393.919 0.678 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccc(Cl)nc3)C2)CC1 ZINC000806211294 1205551645 /nfs/dbraw/zinc/55/16/45/1205551645.db2.gz WDWJMPBGECFVKV-HNNXBMFYSA-N 2 2 393.919 0.678 20 0 GCADLP CON(CC1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806211281 1205551805 /nfs/dbraw/zinc/55/18/05/1205551805.db2.gz VRXAJOLTFNMSCN-MRXNPFEDSA-N 2 2 382.505 0.088 20 0 GCADLP CON(CC1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806211281 1205551806 /nfs/dbraw/zinc/55/18/06/1205551806.db2.gz VRXAJOLTFNMSCN-MRXNPFEDSA-N 2 2 382.505 0.088 20 0 GCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]c12 ZINC000806537729 1205558344 /nfs/dbraw/zinc/55/83/44/1205558344.db2.gz VCZRVFVZHNCOQT-DLBZAZTESA-N 2 2 385.468 0.281 20 0 GCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000806666764 1205563556 /nfs/dbraw/zinc/56/35/56/1205563556.db2.gz YNRBTVJLQOKTDL-QGZVFWFLSA-N 2 2 386.537 0.476 20 0 GCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000806666764 1205563557 /nfs/dbraw/zinc/56/35/57/1205563557.db2.gz YNRBTVJLQOKTDL-QGZVFWFLSA-N 2 2 386.537 0.476 20 0 GCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000806666763 1205563564 /nfs/dbraw/zinc/56/35/64/1205563564.db2.gz YNRBTVJLQOKTDL-KRWDZBQOSA-N 2 2 386.537 0.476 20 0 GCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000806666763 1205563565 /nfs/dbraw/zinc/56/35/65/1205563565.db2.gz YNRBTVJLQOKTDL-KRWDZBQOSA-N 2 2 386.537 0.476 20 0 GCADLP Cc1ncc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000807934122 1205594726 /nfs/dbraw/zinc/59/47/26/1205594726.db2.gz HBYHVRFXPDOWLJ-MRXNPFEDSA-N 2 2 393.557 0.737 20 0 GCADLP Cc1ncc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000807934122 1205594728 /nfs/dbraw/zinc/59/47/28/1205594728.db2.gz HBYHVRFXPDOWLJ-MRXNPFEDSA-N 2 2 393.557 0.737 20 0 GCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747560549 1205624508 /nfs/dbraw/zinc/62/45/08/1205624508.db2.gz DHIPTOAPNXVWKC-SJORKVTESA-N 2 2 378.477 0.200 20 0 GCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747560549 1205624509 /nfs/dbraw/zinc/62/45/09/1205624509.db2.gz DHIPTOAPNXVWKC-SJORKVTESA-N 2 2 378.477 0.200 20 0 GCADLP CN(C(=O)C(=O)Nc1cnnn1C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000810399508 1205636928 /nfs/dbraw/zinc/63/69/28/1205636928.db2.gz RWEGAPGMTBUWSQ-JKSUJKDBSA-N 2 2 391.520 0.549 20 0 GCADLP CN(C(=O)C(=O)Nc1cnnn1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000810399508 1205636929 /nfs/dbraw/zinc/63/69/29/1205636929.db2.gz RWEGAPGMTBUWSQ-JKSUJKDBSA-N 2 2 391.520 0.549 20 0 GCADLP COC(=O)CC[C@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000811734714 1205655681 /nfs/dbraw/zinc/65/56/81/1205655681.db2.gz KRNPMPMHIWEVLZ-IBGZPJMESA-N 2 2 396.488 0.252 20 0 GCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@@H]1Cc2cccc(F)c2C1 ZINC001171790472 1205709929 /nfs/dbraw/zinc/70/99/29/1205709929.db2.gz LTIRZAXPQISDJA-BVGQSLNGSA-N 2 2 385.443 0.708 20 0 GCADLP CC[C@@H](C)OCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172352798 1205715530 /nfs/dbraw/zinc/71/55/30/1205715530.db2.gz UCEXBYHQYDXKHS-FSDCSDTHSA-N 2 2 379.505 0.995 20 0 GCADLP CC[C@@H](C)OCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172352803 1205715572 /nfs/dbraw/zinc/71/55/72/1205715572.db2.gz UCEXBYHQYDXKHS-JHNDHUHGSA-N 2 2 379.505 0.995 20 0 GCADLP COc1ccc(CN2CC[C@H](NC(=[NH2+])N3CC[NH+](C)CC3)CC2=O)c(OC)c1 ZINC001173019227 1205718298 /nfs/dbraw/zinc/71/82/98/1205718298.db2.gz BUPOVBKAMWRQEP-INIZCTEOSA-N 2 2 389.500 0.967 20 0 GCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173506089 1205722128 /nfs/dbraw/zinc/72/21/28/1205722128.db2.gz HJOJSCIYMJEECQ-ROUUACIJSA-N 2 2 389.496 0.879 20 0 GCADLP COC(=O)[C@H]1C[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173504926 1205722169 /nfs/dbraw/zinc/72/21/69/1205722169.db2.gz WTGOAXPXPGLPKY-IAGOWNOFSA-N 2 2 387.484 0.605 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1nnn(C(C)(C)C)n1 ZINC001095242011 1205725746 /nfs/dbraw/zinc/72/57/46/1205725746.db2.gz BYPQCXSRIBYEPG-FXUDXRNXSA-N 2 2 375.521 0.786 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1nnn(C(C)(C)C)n1 ZINC001095242011 1205725747 /nfs/dbraw/zinc/72/57/47/1205725747.db2.gz BYPQCXSRIBYEPG-FXUDXRNXSA-N 2 2 375.521 0.786 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001095242011 1205725749 /nfs/dbraw/zinc/72/57/49/1205725749.db2.gz BYPQCXSRIBYEPG-FXUDXRNXSA-N 2 2 375.521 0.786 20 0 GCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001095242011 1205725751 /nfs/dbraw/zinc/72/57/51/1205725751.db2.gz BYPQCXSRIBYEPG-FXUDXRNXSA-N 2 2 375.521 0.786 20 0 GCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2cc3n(n2)CCC[N@H+](C)C3)CC1 ZINC001175104117 1205734804 /nfs/dbraw/zinc/73/48/04/1205734804.db2.gz CFKJNKATNAOSEN-SHTZXODSSA-N 2 2 376.505 0.437 20 0 GCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2cc3n(n2)CCC[N@@H+](C)C3)CC1 ZINC001175104117 1205734805 /nfs/dbraw/zinc/73/48/05/1205734805.db2.gz CFKJNKATNAOSEN-SHTZXODSSA-N 2 2 376.505 0.437 20 0 GCADLP O=C(N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001175181098 1205735951 /nfs/dbraw/zinc/73/59/51/1205735951.db2.gz RVLRWGWEZJDXAI-HCXYKTFWSA-N 2 2 381.517 0.360 20 0 GCADLP C[NH+](C)Cc1ccc(Nc2[nH+]cnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001176291040 1205745505 /nfs/dbraw/zinc/74/55/05/1205745505.db2.gz YBHJEIJRWMEEFA-WOCWXWTJSA-N 2 2 399.451 0.848 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001176336019 1205745779 /nfs/dbraw/zinc/74/57/79/1205745779.db2.gz ZTBWTGYLCUNIFS-LJQANCHMSA-N 2 2 391.516 0.808 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001176336019 1205745780 /nfs/dbraw/zinc/74/57/80/1205745780.db2.gz ZTBWTGYLCUNIFS-LJQANCHMSA-N 2 2 391.516 0.808 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001176384768 1205746280 /nfs/dbraw/zinc/74/62/80/1205746280.db2.gz FGMDUZJCOKDWBX-CYBMUJFWSA-N 2 2 395.261 0.221 20 0 GCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001176384768 1205746281 /nfs/dbraw/zinc/74/62/81/1205746281.db2.gz FGMDUZJCOKDWBX-CYBMUJFWSA-N 2 2 395.261 0.221 20 0 GCADLP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1)C(=O)N1CCCCC1 ZINC001176879296 1205757351 /nfs/dbraw/zinc/75/73/51/1205757351.db2.gz HVVIGTYFFLHAJL-GOSISDBHSA-N 2 2 394.560 0.816 20 0 GCADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177083384 1205760507 /nfs/dbraw/zinc/76/05/07/1205760507.db2.gz BNSUSOZJIVIAKI-GJZGRUSLSA-N 2 2 381.477 0.635 20 0 GCADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177083384 1205760508 /nfs/dbraw/zinc/76/05/08/1205760508.db2.gz BNSUSOZJIVIAKI-GJZGRUSLSA-N 2 2 381.477 0.635 20 0 GCADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC001177735875 1205775567 /nfs/dbraw/zinc/77/55/67/1205775567.db2.gz VRPCLZGPUMYPSH-QGZVFWFLSA-N 2 2 382.574 0.826 20 0 GCADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC001177735875 1205775568 /nfs/dbraw/zinc/77/55/68/1205775568.db2.gz VRPCLZGPUMYPSH-QGZVFWFLSA-N 2 2 382.574 0.826 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)[C@H]2NCN[C@@H]21 ZINC001178592953 1205789726 /nfs/dbraw/zinc/78/97/26/1205789726.db2.gz ANSATRMJIKDMSK-HMXCVIKNSA-N 2 2 392.507 0.227 20 0 GCADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CC1 ZINC001179150119 1205804037 /nfs/dbraw/zinc/80/40/37/1205804037.db2.gz JUJGFKODDJNUIB-INIZCTEOSA-N 2 2 396.532 0.861 20 0 GCADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CC1 ZINC001179150119 1205804038 /nfs/dbraw/zinc/80/40/38/1205804038.db2.gz JUJGFKODDJNUIB-INIZCTEOSA-N 2 2 396.532 0.861 20 0 GCADLP CC(C)[NH+]1CCN(CC(=O)N(Cc2cn3c(n2)C[NH2+]CC3)c2ccccn2)CC1 ZINC001180345118 1205822144 /nfs/dbraw/zinc/82/21/44/1205822144.db2.gz JFPOPGLPQQZING-UHFFFAOYSA-N 2 2 397.527 0.941 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)C1 ZINC001180760260 1205831131 /nfs/dbraw/zinc/83/11/31/1205831131.db2.gz SFPZXFHHGTVEQP-SFHVURJKSA-N 2 2 396.495 0.697 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)C1 ZINC001180760260 1205831134 /nfs/dbraw/zinc/83/11/34/1205831134.db2.gz SFPZXFHHGTVEQP-SFHVURJKSA-N 2 2 396.495 0.697 20 0 GCADLP C[C@@H](C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1)[NH+](C)C ZINC001180860807 1205834489 /nfs/dbraw/zinc/83/44/89/1205834489.db2.gz NBIJWSOCXMWZAP-JKSUJKDBSA-N 2 2 379.505 0.145 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181975283 1205853352 /nfs/dbraw/zinc/85/33/52/1205853352.db2.gz CEUMMXVVWUWCLZ-QKLQHJQFSA-N 2 2 381.517 0.972 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[N@H+](C(C)C)C1 ZINC001181975283 1205853354 /nfs/dbraw/zinc/85/33/54/1205853354.db2.gz CEUMMXVVWUWCLZ-QKLQHJQFSA-N 2 2 381.517 0.972 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)NC2(CO)CC[NH+](C)CC2)C1 ZINC001182313847 1205863738 /nfs/dbraw/zinc/86/37/38/1205863738.db2.gz DCENKLOFULARPH-INIZCTEOSA-N 2 2 398.548 0.891 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)NC2(CO)CC[NH+](C)CC2)C1 ZINC001182313847 1205863740 /nfs/dbraw/zinc/86/37/40/1205863740.db2.gz DCENKLOFULARPH-INIZCTEOSA-N 2 2 398.548 0.891 20 0 GCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001182837540 1205881478 /nfs/dbraw/zinc/88/14/78/1205881478.db2.gz CHUPMVLEJSKUON-INIZCTEOSA-N 2 2 388.516 0.175 20 0 GCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001182837540 1205881480 /nfs/dbraw/zinc/88/14/80/1205881480.db2.gz CHUPMVLEJSKUON-INIZCTEOSA-N 2 2 388.516 0.175 20 0 GCADLP C[N@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183804765 1205901012 /nfs/dbraw/zinc/90/10/12/1205901012.db2.gz GXFVCVZEHIUAQX-CYBMUJFWSA-N 2 2 392.522 0.065 20 0 GCADLP C[N@@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183804765 1205901014 /nfs/dbraw/zinc/90/10/14/1205901014.db2.gz GXFVCVZEHIUAQX-CYBMUJFWSA-N 2 2 392.522 0.065 20 0 GCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CCc1ccc(N)[nH+]c1)CC2 ZINC001183932608 1205902306 /nfs/dbraw/zinc/90/23/06/1205902306.db2.gz XMIHZLOQMSKUQQ-UHFFFAOYSA-N 2 2 386.456 0.461 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(CO)cc3)CC2)C1=O ZINC001186102037 1205934839 /nfs/dbraw/zinc/93/48/39/1205934839.db2.gz HVTVWICBEMGDBO-UHFFFAOYSA-N 2 2 388.512 0.489 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(CO)cc3)CC2)C1=O ZINC001186102037 1205934841 /nfs/dbraw/zinc/93/48/41/1205934841.db2.gz HVTVWICBEMGDBO-UHFFFAOYSA-N 2 2 388.512 0.489 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCC[N@H+](C)C1)CC2 ZINC001186353699 1205938543 /nfs/dbraw/zinc/93/85/43/1205938543.db2.gz MKLBHPKUUOLSHQ-HNNXBMFYSA-N 2 2 388.516 0.034 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001186353699 1205938544 /nfs/dbraw/zinc/93/85/44/1205938544.db2.gz MKLBHPKUUOLSHQ-HNNXBMFYSA-N 2 2 388.516 0.034 20 0 GCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001186904984 1205951379 /nfs/dbraw/zinc/95/13/79/1205951379.db2.gz GFHVGXIRUYWZSX-KRWDZBQOSA-N 2 2 385.468 0.686 20 0 GCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)O1 ZINC001187449606 1205962847 /nfs/dbraw/zinc/96/28/47/1205962847.db2.gz INMMYVCVYIKWEL-GGPKGHCWSA-N 2 2 377.485 0.973 20 0 GCADLP CC(C)n1cnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001188034742 1205974701 /nfs/dbraw/zinc/97/47/01/1205974701.db2.gz CDWDTPQQISHLHN-UHFFFAOYSA-N 2 2 391.520 0.169 20 0 GCADLP CC(C)n1cnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001188034742 1205974703 /nfs/dbraw/zinc/97/47/03/1205974703.db2.gz CDWDTPQQISHLHN-UHFFFAOYSA-N 2 2 391.520 0.169 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)NCc3ccco3)CC2)C1=O ZINC001188149992 1205975999 /nfs/dbraw/zinc/97/59/99/1205975999.db2.gz SYOSQNXFLLSJDR-UHFFFAOYSA-N 2 2 377.489 0.659 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)NCc3ccco3)CC2)C1=O ZINC001188149992 1205976002 /nfs/dbraw/zinc/97/60/02/1205976002.db2.gz SYOSQNXFLLSJDR-UHFFFAOYSA-N 2 2 377.489 0.659 20 0 GCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322255 1205979209 /nfs/dbraw/zinc/97/92/09/1205979209.db2.gz HKRBMSHUNSOMAD-YYIAUSFCSA-N 2 2 380.533 0.543 20 0 GCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322255 1205979212 /nfs/dbraw/zinc/97/92/12/1205979212.db2.gz HKRBMSHUNSOMAD-YYIAUSFCSA-N 2 2 380.533 0.543 20 0 GCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322255 1205979213 /nfs/dbraw/zinc/97/92/13/1205979213.db2.gz HKRBMSHUNSOMAD-YYIAUSFCSA-N 2 2 380.533 0.543 20 0 GCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322255 1205979215 /nfs/dbraw/zinc/97/92/15/1205979215.db2.gz HKRBMSHUNSOMAD-YYIAUSFCSA-N 2 2 380.533 0.543 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4[C@H](C3)OCCN4c3ncccn3)[nH+]2)CC1 ZINC001164690843 719800144 /nfs/dbraw/zinc/80/01/44/719800144.db2.gz ATHCOLSLDNBMGO-SJORKVTESA-N 2 2 381.484 0.717 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CC[NH2+]C2 ZINC001164707164 719846069 /nfs/dbraw/zinc/84/60/69/719846069.db2.gz ZSDFYZYSZQFXHB-KUHUBIRLSA-N 2 2 375.473 0.355 20 0 GCADLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4[nH]cc(C(=O)OC)c43)CC[C@H]2C1 ZINC001164854073 720862553 /nfs/dbraw/zinc/86/25/53/720862553.db2.gz IVKQNSRLNFICIF-ZFWWWQNUSA-N 2 2 389.456 0.918 20 0 GCADLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4[nH]cc(C(=O)OC)c43)CC[C@H]2C1 ZINC001164854073 720862555 /nfs/dbraw/zinc/86/25/55/720862555.db2.gz IVKQNSRLNFICIF-ZFWWWQNUSA-N 2 2 389.456 0.918 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4OCCN(c5cnccn5)[C@H]4C3)[nH+]2)CC1 ZINC001164765382 721262751 /nfs/dbraw/zinc/26/27/51/721262751.db2.gz KSFRUXVHXHCGPV-IRXDYDNUSA-N 2 2 381.484 0.717 20 0 GCADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ncc5c(n4)C[NH2+]C5)CCO3)C2)c1 ZINC001164914609 721782494 /nfs/dbraw/zinc/78/24/94/721782494.db2.gz FEXZKGMXMIVAJS-HXUWFJFHSA-N 2 2 382.468 0.583 20 0 GCADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ncc5c(n4)C[NH2+]C5)CCO3)C2)c1 ZINC001164914609 721782496 /nfs/dbraw/zinc/78/24/96/721782496.db2.gz FEXZKGMXMIVAJS-HXUWFJFHSA-N 2 2 382.468 0.583 20 0 GCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264397 945481451 /nfs/dbraw/zinc/48/14/51/945481451.db2.gz NWPSJONYVKMPPZ-DLBZAZTESA-N 2 2 385.472 0.278 20 0 GCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264397 945481455 /nfs/dbraw/zinc/48/14/55/945481455.db2.gz NWPSJONYVKMPPZ-DLBZAZTESA-N 2 2 385.472 0.278 20 0 GCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264397 945481459 /nfs/dbraw/zinc/48/14/59/945481459.db2.gz NWPSJONYVKMPPZ-DLBZAZTESA-N 2 2 385.472 0.278 20 0 GCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264397 945481465 /nfs/dbraw/zinc/48/14/65/945481465.db2.gz NWPSJONYVKMPPZ-DLBZAZTESA-N 2 2 385.472 0.278 20 0 GCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cc1c[nH+]cn1C ZINC001571272489 945663932 /nfs/dbraw/zinc/66/39/32/945663932.db2.gz UQUZFQIPAMLSIJ-NWDGAFQWSA-N 2 2 386.485 0.983 20 0 GCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920871 948911479 /nfs/dbraw/zinc/91/14/79/948911479.db2.gz PXKGQHJFVWJKHZ-GFCCVEGCSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574941225 949297259 /nfs/dbraw/zinc/29/72/59/949297259.db2.gz BXMVYDCGFYBUSV-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574941225 949297276 /nfs/dbraw/zinc/29/72/76/949297276.db2.gz BXMVYDCGFYBUSV-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574711998 949568403 /nfs/dbraw/zinc/56/84/03/949568403.db2.gz PKLUQOULEBTUGY-DGCLKSJQSA-N 2 2 379.490 0.195 20 0 GCADLP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574711998 949568418 /nfs/dbraw/zinc/56/84/18/949568418.db2.gz PKLUQOULEBTUGY-DGCLKSJQSA-N 2 2 379.490 0.195 20 0 GCADLP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171032 949748836 /nfs/dbraw/zinc/74/88/36/949748836.db2.gz OXTUJWRLUGYYGQ-WMLDXEAASA-N 2 2 384.488 0.818 20 0 GCADLP C[C@H](CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574485684 949924110 /nfs/dbraw/zinc/92/41/10/949924110.db2.gz YUVKVJVTWRVSBG-KGLIPLIRSA-N 2 2 381.444 0.934 20 0 GCADLP C[C@@H](CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574485685 949926094 /nfs/dbraw/zinc/92/60/94/949926094.db2.gz YUVKVJVTWRVSBG-UONOGXRCSA-N 2 2 381.444 0.934 20 0 GCADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285603 949951330 /nfs/dbraw/zinc/95/13/30/949951330.db2.gz PCSKERIZLNQLHW-GFCCVEGCSA-N 2 2 375.502 0.961 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574732783 950077137 /nfs/dbraw/zinc/07/71/37/950077137.db2.gz KRHAVAQDQMETFI-ZDUSSCGKSA-N 2 2 383.460 0.963 20 0 GCADLP C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575901843 950241744 /nfs/dbraw/zinc/24/17/44/950241744.db2.gz QQQYPLUQNMJNTK-LRDDRELGSA-N 2 2 384.419 0.982 20 0 GCADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001574157866 950257377 /nfs/dbraw/zinc/25/73/77/950257377.db2.gz KIXBLUUYYQLOSI-ZDUSSCGKSA-N 2 2 383.460 0.603 20 0 GCADLP C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574498330 950268211 /nfs/dbraw/zinc/26/82/11/950268211.db2.gz MGPXYNMWDOWPEY-CJNGLKHVSA-N 2 2 384.444 0.281 20 0 GCADLP CC1(C(=O)NCC[NH+]2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCC1 ZINC001575595305 950351515 /nfs/dbraw/zinc/35/15/15/950351515.db2.gz ZCXIWTFJKSNCRC-UHFFFAOYSA-N 2 2 384.488 0.866 20 0 GCADLP C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575908588 950370624 /nfs/dbraw/zinc/37/06/24/950370624.db2.gz VOTAGXNWVMMFEG-BLLLJJGKSA-N 2 2 384.419 0.982 20 0 GCADLP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576197422 950389506 /nfs/dbraw/zinc/38/95/06/950389506.db2.gz NJKPJAXIPYRTMN-YOEHRIQHSA-N 2 2 384.488 0.674 20 0 GCADLP C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575909510 950394918 /nfs/dbraw/zinc/39/49/18/950394918.db2.gz GVXXKKQXXHZDMV-SUMWQHHRSA-N 2 2 380.456 0.922 20 0 GCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576203797 950451709 /nfs/dbraw/zinc/45/17/09/950451709.db2.gz JWKRMJJVLBJLPK-GJZGRUSLSA-N 2 2 382.472 0.783 20 0 GCADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575000044 950593212 /nfs/dbraw/zinc/59/32/12/950593212.db2.gz OOXRUOAGPXTINI-GFCCVEGCSA-N 2 2 384.444 0.824 20 0 GCADLP C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001574771346 950918464 /nfs/dbraw/zinc/91/84/64/950918464.db2.gz BSVWQEMKUVLBAI-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001574771346 950918476 /nfs/dbraw/zinc/91/84/76/950918476.db2.gz BSVWQEMKUVLBAI-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574771346 950918492 /nfs/dbraw/zinc/91/84/92/950918492.db2.gz BSVWQEMKUVLBAI-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574771346 950918511 /nfs/dbraw/zinc/91/85/11/950918511.db2.gz BSVWQEMKUVLBAI-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575088520 951739047 /nfs/dbraw/zinc/73/90/47/951739047.db2.gz ATSJYAJWUOYAQQ-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575089478 951751533 /nfs/dbraw/zinc/75/15/33/951751533.db2.gz GDLIGIULQWYTBT-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575089478 951751541 /nfs/dbraw/zinc/75/15/41/951751541.db2.gz GDLIGIULQWYTBT-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575092203 951791566 /nfs/dbraw/zinc/79/15/66/951791566.db2.gz YZPLKAKRLBXFST-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575092203 951791572 /nfs/dbraw/zinc/79/15/72/951791572.db2.gz YZPLKAKRLBXFST-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575092201 951791674 /nfs/dbraw/zinc/79/16/74/951791674.db2.gz YZPLKAKRLBXFST-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575092201 951791681 /nfs/dbraw/zinc/79/16/81/951791681.db2.gz YZPLKAKRLBXFST-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172353 952804977 /nfs/dbraw/zinc/80/49/77/952804977.db2.gz TUPULNORYQZBQT-HNNXBMFYSA-N 2 2 380.456 0.924 20 0 GCADLP C[C@H](CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001571183635 952881227 /nfs/dbraw/zinc/88/12/27/952881227.db2.gz GLXODAFHNSZUOZ-ZIAGYGMSSA-N 2 2 381.444 0.792 20 0 GCADLP Cc1cc(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187874 952910282 /nfs/dbraw/zinc/91/02/82/952910282.db2.gz CKFOQAMCLIHBGY-WCQYABFASA-N 2 2 381.444 0.464 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001571189027 952922523 /nfs/dbraw/zinc/92/25/23/952922523.db2.gz PUOMDFRIPYPHTR-UKRRQHHQSA-N 2 2 381.444 0.598 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571188985 952922772 /nfs/dbraw/zinc/92/27/72/952922772.db2.gz LECBHLQERHGVON-WFASDCNBSA-N 2 2 381.444 0.357 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571189661 952933493 /nfs/dbraw/zinc/93/34/93/952933493.db2.gz ZWKMWURHGVLXCJ-HDJSIYSDSA-N 2 2 381.444 0.728 20 0 GCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571199137 952996821 /nfs/dbraw/zinc/99/68/21/952996821.db2.gz MJULRCRZXMBYEZ-HDJSIYSDSA-N 2 2 382.428 0.578 20 0 GCADLP Cc1cc(N2CC[C@H]([NH+]3CCN(C(=O)C4CC4)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571212537 953088988 /nfs/dbraw/zinc/08/89/88/953088988.db2.gz MYRVROWMCHSHBG-HNNXBMFYSA-N 2 2 382.472 0.703 20 0 GCADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001571238864 953232941 /nfs/dbraw/zinc/23/29/41/953232941.db2.gz BLHJBFKQUQENCU-BLLLJJGKSA-N 2 2 384.419 0.982 20 0 GCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571241650 953248440 /nfs/dbraw/zinc/24/84/40/953248440.db2.gz HIHHEIBDEJNDDR-CQSZACIVSA-N 2 2 384.419 0.983 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571249087 953300442 /nfs/dbraw/zinc/30/04/42/953300442.db2.gz CUMITWQMQJHVJV-XJKSGUPXSA-N 2 2 384.488 0.935 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571249087 953300446 /nfs/dbraw/zinc/30/04/46/953300446.db2.gz CUMITWQMQJHVJV-XJKSGUPXSA-N 2 2 384.488 0.935 20 0 GCADLP CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653087308 530124373 /nfs/dbraw/zinc/12/43/73/530124373.db2.gz RPLVLQSABUOPFZ-CQSZACIVSA-N 2 2 390.575 0.716 20 0 GCADLP CS(=O)(=O)N1CCN(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000643375240 530139738 /nfs/dbraw/zinc/13/97/38/530139738.db2.gz MKRQXMBFAHXJOX-UHFFFAOYSA-N 2 2 386.484 0.570 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000653154312 530190944 /nfs/dbraw/zinc/19/09/44/530190944.db2.gz OHGGZQVVEXBTAG-ZIAGYGMSSA-N 2 2 383.290 0.728 20 0 GCADLP Cn1nc(Br)c2c1nc[nH+]c2NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000264654775 530164001 /nfs/dbraw/zinc/16/40/01/530164001.db2.gz XNTITSJCTKBAQI-SECBINFHSA-N 2 2 382.266 0.878 20 0 GCADLP Cn1nc(Br)c2c1nc[nH+]c2NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000264654775 530164004 /nfs/dbraw/zinc/16/40/04/530164004.db2.gz XNTITSJCTKBAQI-SECBINFHSA-N 2 2 382.266 0.878 20 0 GCADLP C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584230466 530205977 /nfs/dbraw/zinc/20/59/77/530205977.db2.gz HIKIDYVHRQIEHC-UWVGGRQHSA-N 2 2 389.319 0.730 20 0 GCADLP C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584230466 530205978 /nfs/dbraw/zinc/20/59/78/530205978.db2.gz HIKIDYVHRQIEHC-UWVGGRQHSA-N 2 2 389.319 0.730 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CCOCCOC)CC2)CC1 ZINC000565596241 530187793 /nfs/dbraw/zinc/18/77/93/530187793.db2.gz IZNIFEGRVGAHJA-UHFFFAOYSA-N 2 2 377.551 0.471 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CCOCCOC)CC2)CC1 ZINC000565596241 530187797 /nfs/dbraw/zinc/18/77/97/530187797.db2.gz IZNIFEGRVGAHJA-UHFFFAOYSA-N 2 2 377.551 0.471 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000569351287 530228141 /nfs/dbraw/zinc/22/81/41/530228141.db2.gz WWVNOKYACCRHSW-LZWOXQAQSA-N 2 2 375.535 0.003 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000569351287 530228142 /nfs/dbraw/zinc/22/81/42/530228142.db2.gz WWVNOKYACCRHSW-LZWOXQAQSA-N 2 2 375.535 0.003 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000653161672 530236391 /nfs/dbraw/zinc/23/63/91/530236391.db2.gz WVYDTCWQSZYUCZ-GFCCVEGCSA-N 2 2 380.873 0.153 20 0 GCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000267273839 530211044 /nfs/dbraw/zinc/21/10/44/530211044.db2.gz QQGXAOXRPBYLGR-UHFFFAOYSA-N 2 2 385.306 0.753 20 0 GCADLP C[NH+](C)[C@]1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCSC1 ZINC000531128488 530281976 /nfs/dbraw/zinc/28/19/76/530281976.db2.gz RFCHBJYWIGZUCI-DLBZAZTESA-N 2 2 388.603 0.931 20 0 GCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571656714 530322768 /nfs/dbraw/zinc/32/27/68/530322768.db2.gz DKLJQRQYHNICQU-STQMWFEESA-N 2 2 393.535 0.286 20 0 GCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571656714 530322769 /nfs/dbraw/zinc/32/27/69/530322769.db2.gz DKLJQRQYHNICQU-STQMWFEESA-N 2 2 393.535 0.286 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)CCC[NH3+])[nH+]c12 ZINC000580097400 530333198 /nfs/dbraw/zinc/33/31/98/530333198.db2.gz LASWKBVAOHZXAA-UHFFFAOYSA-N 2 2 382.262 0.829 20 0 GCADLP CCS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000563013386 530350175 /nfs/dbraw/zinc/35/01/75/530350175.db2.gz JHTXVEVDCGMRHK-INMHGKMJSA-N 2 2 377.551 0.108 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccs3)C2)CC1 ZINC000364209865 530386638 /nfs/dbraw/zinc/38/66/38/530386638.db2.gz XWDHIYMGJVZHJS-CYBMUJFWSA-N 2 2 386.543 0.311 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccs3)C2)CC1 ZINC000364209865 530386639 /nfs/dbraw/zinc/38/66/39/530386639.db2.gz XWDHIYMGJVZHJS-CYBMUJFWSA-N 2 2 386.543 0.311 20 0 GCADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874706 530443196 /nfs/dbraw/zinc/44/31/96/530443196.db2.gz PVFCEWSJQYWJBW-HIFRSBDPSA-N 2 2 395.301 0.651 20 0 GCADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874706 530443197 /nfs/dbraw/zinc/44/31/97/530443197.db2.gz PVFCEWSJQYWJBW-HIFRSBDPSA-N 2 2 395.301 0.651 20 0 GCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000638522488 530454806 /nfs/dbraw/zinc/45/48/06/530454806.db2.gz HYPBAHDRKNZOMC-UHFFFAOYSA-N 2 2 388.921 0.630 20 0 GCADLP CCOC(=O)CCS(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000566558568 530531973 /nfs/dbraw/zinc/53/19/73/530531973.db2.gz KILJNPIJUKACCO-UHFFFAOYSA-N 2 2 375.535 0.761 20 0 GCADLP CCOC(=O)CCS(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000566558568 530531976 /nfs/dbraw/zinc/53/19/76/530531976.db2.gz KILJNPIJUKACCO-UHFFFAOYSA-N 2 2 375.535 0.761 20 0 GCADLP CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000568663658 530562018 /nfs/dbraw/zinc/56/20/18/530562018.db2.gz DOIQRAQOPPBHEV-ZDUSSCGKSA-N 2 2 393.535 0.287 20 0 GCADLP CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000568663658 530562020 /nfs/dbraw/zinc/56/20/20/530562020.db2.gz DOIQRAQOPPBHEV-ZDUSSCGKSA-N 2 2 393.535 0.287 20 0 GCADLP CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000573386500 530579823 /nfs/dbraw/zinc/57/98/23/530579823.db2.gz CVTSTIYMDNSIEX-UHFFFAOYSA-N 2 2 387.487 0.393 20 0 GCADLP C[N@H+](CCOCC[NH3+])CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000629575551 530580233 /nfs/dbraw/zinc/58/02/33/530580233.db2.gz OHCGQGXQUHNUHA-MRXNPFEDSA-N 2 2 375.535 0.242 20 0 GCADLP C[N@@H+](CCOCC[NH3+])CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000629575551 530580236 /nfs/dbraw/zinc/58/02/36/530580236.db2.gz OHCGQGXQUHNUHA-MRXNPFEDSA-N 2 2 375.535 0.242 20 0 GCADLP O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000576280365 530607029 /nfs/dbraw/zinc/60/70/29/530607029.db2.gz QZLSGDYUCCUXIG-UHFFFAOYSA-N 2 2 390.912 0.691 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)NC3C[NH2+]C3)[nH+]c12 ZINC000573823652 530584434 /nfs/dbraw/zinc/58/44/34/530584434.db2.gz MIOAYIBMGZXYRL-UHFFFAOYSA-N 2 2 380.246 0.152 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]([NH3+])CC(F)F)c2)CC1 ZINC000498205468 530652019 /nfs/dbraw/zinc/65/20/19/530652019.db2.gz RFCUOSMQTWTQQT-ZDUSSCGKSA-N 2 2 376.429 0.544 20 0 GCADLP CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000467553793 530675277 /nfs/dbraw/zinc/67/52/77/530675277.db2.gz LLTKXSPGFVQWSG-GOEBONIOSA-N 2 2 376.567 0.435 20 0 GCADLP CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467553793 530675280 /nfs/dbraw/zinc/67/52/80/530675280.db2.gz LLTKXSPGFVQWSG-GOEBONIOSA-N 2 2 376.567 0.435 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000361525633 530703117 /nfs/dbraw/zinc/70/31/17/530703117.db2.gz RFLUOMRNHMKPKJ-QGZVFWFLSA-N 2 2 375.535 0.083 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000361525632 530703133 /nfs/dbraw/zinc/70/31/33/530703133.db2.gz RFLUOMRNHMKPKJ-KRWDZBQOSA-N 2 2 375.535 0.083 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCn2cc(Br)ccc2=O)C[C@H](C)O1 ZINC000581880234 530763754 /nfs/dbraw/zinc/76/37/54/530763754.db2.gz YBOSZUJCMAFVNC-VNHYZAJKSA-N 2 2 388.306 0.671 20 0 GCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCn2cc(Br)ccc2=O)C[C@H](C)O1 ZINC000581880234 530763756 /nfs/dbraw/zinc/76/37/56/530763756.db2.gz YBOSZUJCMAFVNC-VNHYZAJKSA-N 2 2 388.306 0.671 20 0 GCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000376949371 530820393 /nfs/dbraw/zinc/82/03/93/530820393.db2.gz OGIRSONNKOKPOV-ZACQAIPSSA-N 2 2 375.535 0.222 20 0 GCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)CC1 ZINC000180414074 530853630 /nfs/dbraw/zinc/85/36/30/530853630.db2.gz PFEVMNGAJGAOFK-UHFFFAOYSA-N 2 2 386.543 0.265 20 0 GCADLP CC(C)S(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584405787 530869849 /nfs/dbraw/zinc/86/98/49/530869849.db2.gz AOGQSHHFAFHKMW-HLLBOEOZSA-N 2 2 377.551 0.249 20 0 GCADLP CC(C)S(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584405787 530869851 /nfs/dbraw/zinc/86/98/51/530869851.db2.gz AOGQSHHFAFHKMW-HLLBOEOZSA-N 2 2 377.551 0.249 20 0 GCADLP C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1)[NH+](C)C ZINC000521899432 530912397 /nfs/dbraw/zinc/91/23/97/530912397.db2.gz WLMDGXBZDPIBKW-NSHDSACASA-N 2 2 387.487 0.439 20 0 GCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000584537609 530918532 /nfs/dbraw/zinc/91/85/32/530918532.db2.gz NOKIQTYBZJISDY-ZDUSSCGKSA-N 2 2 375.457 0.587 20 0 GCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000584537609 530918533 /nfs/dbraw/zinc/91/85/33/530918533.db2.gz NOKIQTYBZJISDY-ZDUSSCGKSA-N 2 2 375.457 0.587 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420002179 530964123 /nfs/dbraw/zinc/96/41/23/530964123.db2.gz SGNBUJVZCQJYDA-GFCCVEGCSA-N 2 2 382.262 0.813 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420002180 530964311 /nfs/dbraw/zinc/96/43/11/530964311.db2.gz SGNBUJVZCQJYDA-LBPRGKRZSA-N 2 2 382.262 0.813 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000631702090 530945617 /nfs/dbraw/zinc/94/56/17/530945617.db2.gz MNVGUAGIOHNTGO-CALCHBBNSA-N 2 2 376.567 0.043 20 0 GCADLP C[C@@H]1C[N@H+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000631702090 530945620 /nfs/dbraw/zinc/94/56/20/530945620.db2.gz MNVGUAGIOHNTGO-CALCHBBNSA-N 2 2 376.567 0.043 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[nH+]c12 ZINC000419043951 530953199 /nfs/dbraw/zinc/95/31/99/530953199.db2.gz ORDMAOOSUAIUCO-JTQLQIEISA-N 2 2 382.262 0.827 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CCC[NH2+]CC3)[nH+]c12 ZINC000419040859 530953654 /nfs/dbraw/zinc/95/36/54/530953654.db2.gz JGOKPPHMMYCIOG-UHFFFAOYSA-N 2 2 394.273 0.843 20 0 GCADLP C[NH2+][C@@H](C)CNC(=O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419046592 530953689 /nfs/dbraw/zinc/95/36/89/530953689.db2.gz VYKWWYACWQDFCE-NSHDSACASA-N 2 2 396.289 0.788 20 0 GCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420161591 530966052 /nfs/dbraw/zinc/96/60/52/530966052.db2.gz JWSYJMOHRUHASV-MFKMUULPSA-N 2 2 394.273 0.970 20 0 GCADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420357706 530967675 /nfs/dbraw/zinc/96/76/75/530967675.db2.gz SPKBQZIKFWDJNU-BXKDBHETSA-N 2 2 377.226 0.870 20 0 GCADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420357706 530967679 /nfs/dbraw/zinc/96/76/79/530967679.db2.gz SPKBQZIKFWDJNU-BXKDBHETSA-N 2 2 377.226 0.870 20 0 GCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301059 530988896 /nfs/dbraw/zinc/98/88/96/530988896.db2.gz VXUPHTLLRAYMEP-DLBZAZTESA-N 2 2 377.551 0.252 20 0 GCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301059 530988899 /nfs/dbraw/zinc/98/88/99/530988899.db2.gz VXUPHTLLRAYMEP-DLBZAZTESA-N 2 2 377.551 0.252 20 0 GCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301059 530988902 /nfs/dbraw/zinc/98/89/02/530988902.db2.gz VXUPHTLLRAYMEP-DLBZAZTESA-N 2 2 377.551 0.252 20 0 GCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301059 530988905 /nfs/dbraw/zinc/98/89/05/530988905.db2.gz VXUPHTLLRAYMEP-DLBZAZTESA-N 2 2 377.551 0.252 20 0 GCADLP CCS(=O)(=O)NCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538046562 531029656 /nfs/dbraw/zinc/02/96/56/531029656.db2.gz YLJLXUPRRZMDDJ-IYBDPMFKSA-N 2 2 377.551 0.516 20 0 GCADLP CCS(=O)(=O)NCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538046562 531029663 /nfs/dbraw/zinc/02/96/63/531029663.db2.gz YLJLXUPRRZMDDJ-IYBDPMFKSA-N 2 2 377.551 0.516 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000125902043 531031250 /nfs/dbraw/zinc/03/12/50/531031250.db2.gz YJXVDQKFJGNPCG-HNNXBMFYSA-N 2 2 376.567 0.435 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000125902043 531031253 /nfs/dbraw/zinc/03/12/53/531031253.db2.gz YJXVDQKFJGNPCG-HNNXBMFYSA-N 2 2 376.567 0.435 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCS(=O)(=O)N2CCSCC2)CC1 ZINC000545204972 531083792 /nfs/dbraw/zinc/08/37/92/531083792.db2.gz IQBDTMMGQQKAAR-UHFFFAOYSA-N 2 2 393.575 0.372 20 0 GCADLP CC(C)CSCCC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000132102221 531084434 /nfs/dbraw/zinc/08/44/34/531084434.db2.gz FNDMCORACBWVHX-UHFFFAOYSA-N 2 2 378.608 0.876 20 0 GCADLP CS[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@H]1[NH+]1CCCC1 ZINC000614987220 531088530 /nfs/dbraw/zinc/08/85/30/531088530.db2.gz JDKZRAZERSPMIF-CVEARBPZSA-N 2 2 377.576 0.550 20 0 GCADLP C[NH+](C)CCCOC1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000545915334 531088565 /nfs/dbraw/zinc/08/85/65/531088565.db2.gz ACLCOYQBXUZPIH-UHFFFAOYSA-N 2 2 377.551 0.471 20 0 GCADLP CCN(C(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430596581 531113726 /nfs/dbraw/zinc/11/37/26/531113726.db2.gz JPPGKNHBKDEAOA-GJZGRUSLSA-N 2 2 375.535 0.240 20 0 GCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736142229 598348503 /nfs/dbraw/zinc/34/85/03/598348503.db2.gz DMEFOXSYBZHMLA-CQSZACIVSA-N 2 2 387.488 0.972 20 0 GCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736142229 598348505 /nfs/dbraw/zinc/34/85/05/598348505.db2.gz DMEFOXSYBZHMLA-CQSZACIVSA-N 2 2 387.488 0.972 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735835529 598518438 /nfs/dbraw/zinc/51/84/38/598518438.db2.gz JRKZAJUOMKBVMF-UONOGXRCSA-N 2 2 375.481 0.051 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735835529 598518440 /nfs/dbraw/zinc/51/84/40/598518440.db2.gz JRKZAJUOMKBVMF-UONOGXRCSA-N 2 2 375.481 0.051 20 0 GCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)cn2)CC1 ZINC000821628135 606796998 /nfs/dbraw/zinc/79/69/98/606796998.db2.gz AYLNPHHCEQQVNF-UHFFFAOYSA-N 2 2 383.435 0.837 20 0 GCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000825870421 607813019 /nfs/dbraw/zinc/81/30/19/607813019.db2.gz LUSYNRYFOAKTAO-INIZCTEOSA-N 2 2 383.456 0.838 20 0 GCADLP C[NH+](C)CC1CC[NH+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825859996 607827040 /nfs/dbraw/zinc/82/70/40/607827040.db2.gz JIPHJOORDCHHKT-UHFFFAOYSA-N 2 2 378.502 0.914 20 0 GCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1-c1nn[nH]n1 ZINC000826073100 608019242 /nfs/dbraw/zinc/01/92/42/608019242.db2.gz DWKPRXALONMEIY-HNNXBMFYSA-N 2 2 383.460 0.983 20 0 GCADLP C[C@@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824993324 608739333 /nfs/dbraw/zinc/73/93/33/608739333.db2.gz QCDTYTOVLRVJOZ-CRAIPNDOSA-N 2 2 395.515 0.972 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824993324 608739336 /nfs/dbraw/zinc/73/93/36/608739336.db2.gz QCDTYTOVLRVJOZ-CRAIPNDOSA-N 2 2 395.515 0.972 20 0 GCADLP C[C@H](C[NH2+]Cc1c(I)cnn1C)N1CC[NH+](C)CC1 ZINC000894242448 638685026 /nfs/dbraw/zinc/68/50/26/638685026.db2.gz LTOKXMBPJYJSDP-LLVKDONJSA-N 2 2 377.274 0.750 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775172644 641070702 /nfs/dbraw/zinc/07/07/02/641070702.db2.gz LPKNLXFMVYMNJQ-GFCCVEGCSA-N 2 2 379.332 0.781 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775172644 641070708 /nfs/dbraw/zinc/07/07/08/641070708.db2.gz LPKNLXFMVYMNJQ-GFCCVEGCSA-N 2 2 379.332 0.781 20 0 GCADLP CCc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC000923608102 641420960 /nfs/dbraw/zinc/42/09/60/641420960.db2.gz MULCQCVLKJRVRG-UHFFFAOYSA-N 2 2 387.575 0.657 20 0 GCADLP [NH3+][C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1cccc(Br)c1 ZINC000870939983 641448220 /nfs/dbraw/zinc/44/82/20/641448220.db2.gz DVIGHOXATKPRHH-ZBFHGGJFSA-N 2 2 395.301 0.872 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@H]1O ZINC000879142513 641608185 /nfs/dbraw/zinc/60/81/85/641608185.db2.gz VBJUEBOSIXSOMU-BRSBDYLESA-N 2 2 376.563 0.872 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@H]1O ZINC000879142513 641608191 /nfs/dbraw/zinc/60/81/91/641608191.db2.gz VBJUEBOSIXSOMU-BRSBDYLESA-N 2 2 376.563 0.872 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CSCCS3)C2)CC1 ZINC000806209675 641642935 /nfs/dbraw/zinc/64/29/35/641642935.db2.gz GEEOVLWSPCWRND-UKRRQHHQSA-N 2 2 386.587 0.236 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CSCCS3)C2)CC1 ZINC000806209675 641642937 /nfs/dbraw/zinc/64/29/37/641642937.db2.gz GEEOVLWSPCWRND-UKRRQHHQSA-N 2 2 386.587 0.236 20 0 GCADLP CN(C(=O)c1c(Br)nnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000810551094 641732636 /nfs/dbraw/zinc/73/26/36/641732636.db2.gz NIOPKXIFJHMYHK-GFCCVEGCSA-N 2 2 385.310 0.818 20 0 GCADLP CN(C(=O)c1c(Br)nnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000810551094 641732641 /nfs/dbraw/zinc/73/26/41/641732641.db2.gz NIOPKXIFJHMYHK-GFCCVEGCSA-N 2 2 385.310 0.818 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)C(C)C ZINC000812438499 641770690 /nfs/dbraw/zinc/77/06/90/641770690.db2.gz DFAPFCOFVANTAG-MRXNPFEDSA-N 2 2 376.567 0.867 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)C(C)C ZINC000812438499 641770691 /nfs/dbraw/zinc/77/06/91/641770691.db2.gz DFAPFCOFVANTAG-MRXNPFEDSA-N 2 2 376.567 0.867 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@H](CO)CC1)CC[N@H+]1CCC[C@H](CO)CC1 ZINC000815272332 641826426 /nfs/dbraw/zinc/82/64/26/641826426.db2.gz NKRJYCLUMKVLGV-ROUUACIJSA-N 2 2 376.563 0.590 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@H](CO)CC1)CC[N@@H+]1CCC[C@H](CO)CC1 ZINC000815272332 641826428 /nfs/dbraw/zinc/82/64/28/641826428.db2.gz NKRJYCLUMKVLGV-ROUUACIJSA-N 2 2 376.563 0.590 20 0 GCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccncc2I)CC1 ZINC000926086727 641919513 /nfs/dbraw/zinc/91/95/13/641919513.db2.gz VRNSCAQDXJKIIO-UHFFFAOYSA-N 2 2 389.241 0.653 20 0 GCADLP O=S(=O)(CC[NH+]1CCCC[C@@H]1CCO)CC[N@H+]1CCCC[C@@H]1CCO ZINC000109785740 642708535 /nfs/dbraw/zinc/70/85/35/642708535.db2.gz KQQVSSRBJKTMRY-QZTJIDSGSA-N 2 2 376.563 0.875 20 0 GCADLP O=S(=O)(CC[NH+]1CCCC[C@@H]1CCO)CC[N@@H+]1CCCC[C@@H]1CCO ZINC000109785740 642708539 /nfs/dbraw/zinc/70/85/39/642708539.db2.gz KQQVSSRBJKTMRY-QZTJIDSGSA-N 2 2 376.563 0.875 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3nc4n(c3=O)CCCC4)CC2)CC1 ZINC000652461767 1192228154 /nfs/dbraw/zinc/22/81/54/1192228154.db2.gz MFNPORCUVBNZDF-UHFFFAOYSA-N 2 2 390.532 0.400 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3nc4n(c3=O)CCCC4)CC2)CC1 ZINC000652461767 1192228158 /nfs/dbraw/zinc/22/81/58/1192228158.db2.gz MFNPORCUVBNZDF-UHFFFAOYSA-N 2 2 390.532 0.400 20 0 GCADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000050797338 1192235480 /nfs/dbraw/zinc/23/54/80/1192235480.db2.gz IOGZWTJNKAUESQ-INIZCTEOSA-N 2 2 390.532 0.577 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152691 1192248255 /nfs/dbraw/zinc/24/82/55/1192248255.db2.gz XRKXTABXPRSPPR-HKUYNNGSSA-N 2 2 387.528 0.650 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152691 1192248259 /nfs/dbraw/zinc/24/82/59/1192248259.db2.gz XRKXTABXPRSPPR-HKUYNNGSSA-N 2 2 387.528 0.650 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663221846 1192254582 /nfs/dbraw/zinc/25/45/82/1192254582.db2.gz SEGAQSLPPGBBSP-CVEARBPZSA-N 2 2 386.504 0.994 20 0 GCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000636682953 1192262671 /nfs/dbraw/zinc/26/26/71/1192262671.db2.gz WEDCYISDYFFQJU-SFHVURJKSA-N 2 2 392.500 0.263 20 0 GCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000636682953 1192262674 /nfs/dbraw/zinc/26/26/74/1192262674.db2.gz WEDCYISDYFFQJU-SFHVURJKSA-N 2 2 392.500 0.263 20 0 GCADLP CC(C)[C@@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000662286285 1192277679 /nfs/dbraw/zinc/27/76/79/1192277679.db2.gz YBEIKTRHDKZZJO-LJQANCHMSA-N 2 2 377.485 0.975 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000662285935 1192276852 /nfs/dbraw/zinc/27/68/52/1192276852.db2.gz AWQKRJWBLLRARV-UHFFFAOYSA-N 2 2 398.910 0.827 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCCOc1cccc(C(F)(F)F)c1 ZINC000662287063 1192276961 /nfs/dbraw/zinc/27/69/61/1192276961.db2.gz RKILCGFMYULWSB-UHFFFAOYSA-N 2 2 375.391 0.905 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCc1cccc(OCC(F)(F)F)c1 ZINC000662285939 1192277091 /nfs/dbraw/zinc/27/70/91/1192277091.db2.gz BBPWFRYDWVEMLY-UHFFFAOYSA-N 2 2 375.391 0.948 20 0 GCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n(C)n1 ZINC000662337354 1192285197 /nfs/dbraw/zinc/28/51/97/1192285197.db2.gz LMVSMIGGQOLMHJ-HNNXBMFYSA-N 2 2 386.504 0.679 20 0 GCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n(C)n1 ZINC000662337354 1192285200 /nfs/dbraw/zinc/28/52/00/1192285200.db2.gz LMVSMIGGQOLMHJ-HNNXBMFYSA-N 2 2 386.504 0.679 20 0 GCADLP CC[C@@H]([NH2+]C)C(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000662442940 1192296031 /nfs/dbraw/zinc/29/60/31/1192296031.db2.gz WBCNASIFHYZIBZ-HXUWFJFHSA-N 2 2 390.528 0.886 20 0 GCADLP COCC[NH+]1CCN(c2ncnc(N3CC[NH+](CCOC)CC3)c2C)CC1 ZINC000663362771 1192303736 /nfs/dbraw/zinc/30/37/36/1192303736.db2.gz WPCFJJRIDCGTBN-UHFFFAOYSA-N 2 2 378.521 0.322 20 0 GCADLP C[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069924000 1192320097 /nfs/dbraw/zinc/32/00/97/1192320097.db2.gz UGBUUXYNDRVUKG-IBGZPJMESA-N 2 2 381.565 0.768 20 0 GCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655544 1192323296 /nfs/dbraw/zinc/32/32/96/1192323296.db2.gz IZAORMGFAHVOAV-UXHICEINSA-N 2 2 383.496 0.734 20 0 GCADLP CN(CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000051760470 1192350293 /nfs/dbraw/zinc/35/02/93/1192350293.db2.gz KGEGCXTVTKXQQE-UHFFFAOYSA-N 2 2 389.566 0.126 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112532162 1192361183 /nfs/dbraw/zinc/36/11/83/1192361183.db2.gz LHUNLSSVJZJSRZ-WCLQXYBISA-N 2 2 385.512 0.974 20 0 GCADLP CN(C(=O)CSCC(=O)N1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365231549 1192377560 /nfs/dbraw/zinc/37/75/60/1192377560.db2.gz XHHAKSUSSGGPOZ-QGZVFWFLSA-N 2 2 398.573 0.205 20 0 GCADLP CN(C(=O)CSCC(=O)N1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365231549 1192377563 /nfs/dbraw/zinc/37/75/63/1192377563.db2.gz XHHAKSUSSGGPOZ-QGZVFWFLSA-N 2 2 398.573 0.205 20 0 GCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663579806 1192401957 /nfs/dbraw/zinc/40/19/57/1192401957.db2.gz JJNBQGGYXMMBIE-IBGZPJMESA-N 2 2 381.565 0.909 20 0 GCADLP Cc1c(NC[C@H]2C[NH+](C)CCN2C)ncnc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000663589537 1192405445 /nfs/dbraw/zinc/40/54/45/1192405445.db2.gz DUKBDRACXJZYGM-IRXDYDNUSA-N 2 2 376.553 0.100 20 0 GCADLP Cc1c(NC[C@H]2C[NH+](C)CCN2C)ncnc1NC[C@H]1C[N@H+](C)CCN1C ZINC000663589537 1192405448 /nfs/dbraw/zinc/40/54/48/1192405448.db2.gz DUKBDRACXJZYGM-IRXDYDNUSA-N 2 2 376.553 0.100 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663620308 1192421693 /nfs/dbraw/zinc/42/16/93/1192421693.db2.gz IRXBXQPKANJFMU-QGZVFWFLSA-N 2 2 381.521 0.047 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000637202199 1192430765 /nfs/dbraw/zinc/43/07/65/1192430765.db2.gz ICJXCLGCCFSTPC-HXUWFJFHSA-N 2 2 380.533 0.918 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000637202199 1192430767 /nfs/dbraw/zinc/43/07/67/1192430767.db2.gz ICJXCLGCCFSTPC-HXUWFJFHSA-N 2 2 380.533 0.918 20 0 GCADLP O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279016604 1192438453 /nfs/dbraw/zinc/43/84/53/1192438453.db2.gz GCUXIAYVOTZMKP-NRFANRHFSA-N 2 2 399.495 0.573 20 0 GCADLP O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279016604 1192438458 /nfs/dbraw/zinc/43/84/58/1192438458.db2.gz GCUXIAYVOTZMKP-NRFANRHFSA-N 2 2 399.495 0.573 20 0 GCADLP C[C@@H](c1nc(-c2nc[nH]n2)no1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001167845458 1192448002 /nfs/dbraw/zinc/44/80/02/1192448002.db2.gz VIWOOVZBROBQNX-ZDUSSCGKSA-N 2 2 388.476 0.792 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637236815 1192467255 /nfs/dbraw/zinc/46/72/55/1192467255.db2.gz DXEKDVLGRHTWSU-MRXNPFEDSA-N 2 2 391.541 0.852 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637236815 1192467258 /nfs/dbraw/zinc/46/72/58/1192467258.db2.gz DXEKDVLGRHTWSU-MRXNPFEDSA-N 2 2 391.541 0.852 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)CC1 ZINC000050800422 1192501933 /nfs/dbraw/zinc/50/19/33/1192501933.db2.gz SPEAYZUELUMDRN-FQEVSTJZSA-N 2 2 391.516 0.382 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[N@@H+](C)C[C@H]2C)c1C(=O)N1CC[NH+](C)C[C@H]1C ZINC000408364405 1192512357 /nfs/dbraw/zinc/51/23/57/1192512357.db2.gz BUCNCJJUYHGKHL-IAGOWNOFSA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[N@H+](C)C[C@H]2C)c1C(=O)N1CC[NH+](C)C[C@H]1C ZINC000408364405 1192512360 /nfs/dbraw/zinc/51/23/60/1192512360.db2.gz BUCNCJJUYHGKHL-IAGOWNOFSA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C)C[C@H]2C)c1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408364405 1192512363 /nfs/dbraw/zinc/51/23/63/1192512363.db2.gz BUCNCJJUYHGKHL-IAGOWNOFSA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C)C[C@H]2C)c1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408364405 1192512368 /nfs/dbraw/zinc/51/23/68/1192512368.db2.gz BUCNCJJUYHGKHL-IAGOWNOFSA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C)c1C(=O)N1CC[NH+](C)C[C@H]1C ZINC000408364404 1192512651 /nfs/dbraw/zinc/51/26/51/1192512651.db2.gz BUCNCJJUYHGKHL-DLBZAZTESA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[N@H+](C)C[C@@H]2C)c1C(=O)N1CC[NH+](C)C[C@H]1C ZINC000408364404 1192512655 /nfs/dbraw/zinc/51/26/55/1192512655.db2.gz BUCNCJJUYHGKHL-DLBZAZTESA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C)C[C@@H]2C)c1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408364404 1192512660 /nfs/dbraw/zinc/51/26/60/1192512660.db2.gz BUCNCJJUYHGKHL-DLBZAZTESA-N 2 2 389.544 0.815 20 0 GCADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C)C[C@@H]2C)c1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408364404 1192512663 /nfs/dbraw/zinc/51/26/63/1192512663.db2.gz BUCNCJJUYHGKHL-DLBZAZTESA-N 2 2 389.544 0.815 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000187307969 1192523006 /nfs/dbraw/zinc/52/30/06/1192523006.db2.gz UQNXWLRTXUXSSJ-ROUUACIJSA-N 2 2 383.581 0.745 20 0 GCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000187307969 1192523012 /nfs/dbraw/zinc/52/30/12/1192523012.db2.gz UQNXWLRTXUXSSJ-ROUUACIJSA-N 2 2 383.581 0.745 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000279449558 1192542156 /nfs/dbraw/zinc/54/21/56/1192542156.db2.gz KPPPPNVJKKUUFK-QGZVFWFLSA-N 2 2 390.532 0.696 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000637468009 1192576886 /nfs/dbraw/zinc/57/68/86/1192576886.db2.gz ITHFMZXBEKIVGM-PXNSSMCTSA-N 2 2 380.533 0.918 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000637468009 1192576891 /nfs/dbraw/zinc/57/68/91/1192576891.db2.gz ITHFMZXBEKIVGM-PXNSSMCTSA-N 2 2 380.533 0.918 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637468009 1192576895 /nfs/dbraw/zinc/57/68/95/1192576895.db2.gz ITHFMZXBEKIVGM-PXNSSMCTSA-N 2 2 380.533 0.918 20 0 GCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637468009 1192576901 /nfs/dbraw/zinc/57/69/01/1192576901.db2.gz ITHFMZXBEKIVGM-PXNSSMCTSA-N 2 2 380.533 0.918 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418774333 1192641858 /nfs/dbraw/zinc/64/18/58/1192641858.db2.gz VDZDSBJNHTZGJT-HKUYNNGSSA-N 2 2 376.501 0.907 20 0 GCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418836324 1192658214 /nfs/dbraw/zinc/65/82/14/1192658214.db2.gz RDNOBYXQCSQLEC-RTBURBONSA-N 2 2 388.512 0.462 20 0 GCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418836324 1192658220 /nfs/dbraw/zinc/65/82/20/1192658220.db2.gz RDNOBYXQCSQLEC-RTBURBONSA-N 2 2 388.512 0.462 20 0 GCADLP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418834552 1192660981 /nfs/dbraw/zinc/66/09/81/1192660981.db2.gz OPBLAFGJWZXDAJ-KRWDZBQOSA-N 2 2 376.501 0.637 20 0 GCADLP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418834552 1192660984 /nfs/dbraw/zinc/66/09/84/1192660984.db2.gz OPBLAFGJWZXDAJ-KRWDZBQOSA-N 2 2 376.501 0.637 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000418835968 1192661192 /nfs/dbraw/zinc/66/11/92/1192661192.db2.gz QOPDIYSEFHPMQV-MOPGFXCFSA-N 2 2 388.512 0.637 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000418835968 1192661195 /nfs/dbraw/zinc/66/11/95/1192661195.db2.gz QOPDIYSEFHPMQV-MOPGFXCFSA-N 2 2 388.512 0.637 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C[NH3+] ZINC000418840481 1192663500 /nfs/dbraw/zinc/66/35/00/1192663500.db2.gz XRRWYBZAGVKKRX-QRQLOZEOSA-N 2 2 388.512 0.447 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C[NH3+] ZINC000418840481 1192663504 /nfs/dbraw/zinc/66/35/04/1192663504.db2.gz XRRWYBZAGVKKRX-QRQLOZEOSA-N 2 2 388.512 0.447 20 0 GCADLP Cc1cc(C)c(CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c[nH+]1 ZINC000418891430 1192681500 /nfs/dbraw/zinc/68/15/00/1192681500.db2.gz UCOWQNODTLHVHU-CQSZACIVSA-N 2 2 387.406 0.267 20 0 GCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000418913133 1192684751 /nfs/dbraw/zinc/68/47/51/1192684751.db2.gz NRSCHYMQOUJHNM-INIZCTEOSA-N 2 2 388.512 0.721 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418910326 1192686837 /nfs/dbraw/zinc/68/68/37/1192686837.db2.gz ULDXTZZJLYLXLY-WMLDXEAASA-N 2 2 385.468 0.777 20 0 GCADLP [NH3+][C@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000418912799 1192689521 /nfs/dbraw/zinc/68/95/21/1192689521.db2.gz NBPWYIGDHWTHRG-HXUWFJFHSA-N 2 2 396.491 0.951 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000418919895 1192691395 /nfs/dbraw/zinc/69/13/95/1192691395.db2.gz XVLLVRRUBSWHNB-APWZRJJASA-N 2 2 388.512 0.578 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418936388 1192695194 /nfs/dbraw/zinc/69/51/94/1192695194.db2.gz DSRAROJYGNBREO-OCCSQVGLSA-N 2 2 380.514 0.452 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418936388 1192695197 /nfs/dbraw/zinc/69/51/97/1192695197.db2.gz DSRAROJYGNBREO-OCCSQVGLSA-N 2 2 380.514 0.452 20 0 GCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418932790 1192694555 /nfs/dbraw/zinc/69/45/55/1192694555.db2.gz AJXOZRAWQDYEHI-VNQPRFMTSA-N 2 2 376.526 0.727 20 0 GCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418932790 1192694560 /nfs/dbraw/zinc/69/45/60/1192694560.db2.gz AJXOZRAWQDYEHI-VNQPRFMTSA-N 2 2 376.526 0.727 20 0 GCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@@H]21 ZINC000418945519 1192698792 /nfs/dbraw/zinc/69/87/92/1192698792.db2.gz PRQQZCKNTDEKRW-VNQPRFMTSA-N 2 2 376.526 0.808 20 0 GCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@@H]21 ZINC000418945519 1192698794 /nfs/dbraw/zinc/69/87/94/1192698794.db2.gz PRQQZCKNTDEKRW-VNQPRFMTSA-N 2 2 376.526 0.808 20 0 GCADLP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000418988159 1192710545 /nfs/dbraw/zinc/71/05/45/1192710545.db2.gz IBFJMKRFKJTNRU-PBHICJAKSA-N 2 2 391.422 0.619 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C[NH3+])C1 ZINC000419029765 1192730081 /nfs/dbraw/zinc/73/00/81/1192730081.db2.gz SBQOHYXUOUUHEX-HUUCEWRRSA-N 2 2 389.431 0.592 20 0 GCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000237317426 1192738621 /nfs/dbraw/zinc/73/86/21/1192738621.db2.gz IPZOSYAICCDCBV-GOSISDBHSA-N 2 2 381.542 0.916 20 0 GCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000237317426 1192738626 /nfs/dbraw/zinc/73/86/26/1192738626.db2.gz IPZOSYAICCDCBV-GOSISDBHSA-N 2 2 381.542 0.916 20 0 GCADLP O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419068725 1192766352 /nfs/dbraw/zinc/76/63/52/1192766352.db2.gz IGXMBSYFGUGORB-UHFFFAOYSA-N 2 2 393.919 0.400 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000410630013 1192773033 /nfs/dbraw/zinc/77/30/33/1192773033.db2.gz FBXYCSDKZYEPGO-ZIFCJYIRSA-N 2 2 394.560 0.744 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000410630013 1192773039 /nfs/dbraw/zinc/77/30/39/1192773039.db2.gz FBXYCSDKZYEPGO-ZIFCJYIRSA-N 2 2 394.560 0.744 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631832 1192775154 /nfs/dbraw/zinc/77/51/54/1192775154.db2.gz OHFOVTKDEVQEAK-SCTDSRPQSA-N 2 2 394.560 0.744 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631832 1192775156 /nfs/dbraw/zinc/77/51/56/1192775156.db2.gz OHFOVTKDEVQEAK-SCTDSRPQSA-N 2 2 394.560 0.744 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631832 1192775158 /nfs/dbraw/zinc/77/51/58/1192775158.db2.gz OHFOVTKDEVQEAK-SCTDSRPQSA-N 2 2 394.560 0.744 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631832 1192775159 /nfs/dbraw/zinc/77/51/59/1192775159.db2.gz OHFOVTKDEVQEAK-SCTDSRPQSA-N 2 2 394.560 0.744 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000410633066 1192776520 /nfs/dbraw/zinc/77/65/20/1192776520.db2.gz RMHNVDVXXFAKPF-KSZLIROESA-N 2 2 382.549 0.887 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000410633066 1192776524 /nfs/dbraw/zinc/77/65/24/1192776524.db2.gz RMHNVDVXXFAKPF-KSZLIROESA-N 2 2 382.549 0.887 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)O1 ZINC000410633066 1192776525 /nfs/dbraw/zinc/77/65/25/1192776525.db2.gz RMHNVDVXXFAKPF-KSZLIROESA-N 2 2 382.549 0.887 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000410633066 1192776530 /nfs/dbraw/zinc/77/65/30/1192776530.db2.gz RMHNVDVXXFAKPF-KSZLIROESA-N 2 2 382.549 0.887 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000410633064 1192776813 /nfs/dbraw/zinc/77/68/13/1192776813.db2.gz RMHNVDVXXFAKPF-FGTMMUONSA-N 2 2 382.549 0.887 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000410633064 1192776818 /nfs/dbraw/zinc/77/68/18/1192776818.db2.gz RMHNVDVXXFAKPF-FGTMMUONSA-N 2 2 382.549 0.887 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C[C@H](C)O1 ZINC000410633064 1192776823 /nfs/dbraw/zinc/77/68/23/1192776823.db2.gz RMHNVDVXXFAKPF-FGTMMUONSA-N 2 2 382.549 0.887 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000410633064 1192776826 /nfs/dbraw/zinc/77/68/26/1192776826.db2.gz RMHNVDVXXFAKPF-FGTMMUONSA-N 2 2 382.549 0.887 20 0 GCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419099357 1192785043 /nfs/dbraw/zinc/78/50/43/1192785043.db2.gz DLRPFYKRKQASDW-INIZCTEOSA-N 2 2 393.919 0.446 20 0 GCADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000728926010 1192782605 /nfs/dbraw/zinc/78/26/05/1192782605.db2.gz UDAIYKJVQSNIDM-GFCCVEGCSA-N 2 2 395.529 0.564 20 0 GCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419109107 1192790557 /nfs/dbraw/zinc/79/05/57/1192790557.db2.gz QRWYEXIEJDECBI-MRXNPFEDSA-N 2 2 393.919 0.446 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCOCC1 ZINC000419111559 1192791289 /nfs/dbraw/zinc/79/12/89/1192791289.db2.gz DNIBTYMBKPNZDI-XHSDSOJGSA-N 2 2 384.521 0.079 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000419120579 1192793679 /nfs/dbraw/zinc/79/36/79/1192793679.db2.gz CNFBBDBXKIXZAM-MSOLQXFVSA-N 2 2 375.517 0.191 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000419120657 1192794663 /nfs/dbraw/zinc/79/46/63/1192794663.db2.gz QZWDBPLVEIHINK-HIFRSBDPSA-N 2 2 375.473 0.527 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000419122698 1192795414 /nfs/dbraw/zinc/79/54/14/1192795414.db2.gz UEBRNAJAFWVLAB-GOSISDBHSA-N 2 2 394.560 0.842 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000419124496 1192796319 /nfs/dbraw/zinc/79/63/19/1192796319.db2.gz XKAVLUKVFVLDQG-QZTJIDSGSA-N 2 2 376.501 0.666 20 0 GCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410694478 1192836398 /nfs/dbraw/zinc/83/63/98/1192836398.db2.gz CGQPDVSYKUIDMJ-KRWDZBQOSA-N 2 2 382.549 0.602 20 0 GCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410694478 1192836408 /nfs/dbraw/zinc/83/64/08/1192836408.db2.gz CGQPDVSYKUIDMJ-KRWDZBQOSA-N 2 2 382.549 0.602 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000410719671 1192849400 /nfs/dbraw/zinc/84/94/00/1192849400.db2.gz ZKWMCPCYEIHMSL-SFHVURJKSA-N 2 2 382.549 0.888 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000410719671 1192849408 /nfs/dbraw/zinc/84/94/08/1192849408.db2.gz ZKWMCPCYEIHMSL-SFHVURJKSA-N 2 2 382.549 0.888 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000410727386 1192872946 /nfs/dbraw/zinc/87/29/46/1192872946.db2.gz AXOYCHLFXOVPOS-MSOLQXFVSA-N 3 2 379.549 0.166 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000410727386 1192872954 /nfs/dbraw/zinc/87/29/54/1192872954.db2.gz AXOYCHLFXOVPOS-MSOLQXFVSA-N 3 2 379.549 0.166 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000410727386 1192872960 /nfs/dbraw/zinc/87/29/60/1192872960.db2.gz AXOYCHLFXOVPOS-MSOLQXFVSA-N 3 2 379.549 0.166 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000410727386 1192872964 /nfs/dbraw/zinc/87/29/64/1192872964.db2.gz AXOYCHLFXOVPOS-MSOLQXFVSA-N 3 2 379.549 0.166 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]C[C@H]2COC(C)(C)O2)CC3)CC1 ZINC000894018482 1192891927 /nfs/dbraw/zinc/89/19/27/1192891927.db2.gz OTUZGJTWCOLYHL-CVEARBPZSA-N 2 2 391.516 0.574 20 0 GCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000579749240 1184129612 /nfs/dbraw/zinc/12/96/12/1184129612.db2.gz NHPVYIYWKLRENX-MSOLQXFVSA-N 2 2 392.544 0.833 20 0 GCADLP CC[N@H+](CCO)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000274689425 1184187347 /nfs/dbraw/zinc/18/73/47/1184187347.db2.gz UMYKNSAFXRSTDB-LJQANCHMSA-N 2 2 378.517 0.543 20 0 GCADLP CC[N@@H+](CCO)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000274689425 1184187351 /nfs/dbraw/zinc/18/73/51/1184187351.db2.gz UMYKNSAFXRSTDB-LJQANCHMSA-N 2 2 378.517 0.543 20 0 GCADLP CN1CCN(c2cc(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)nc[nH+]2)CC1=O ZINC000274732016 1184231392 /nfs/dbraw/zinc/23/13/92/1184231392.db2.gz CFKDJXXXSOXZCH-SFHVURJKSA-N 2 2 396.495 0.934 20 0 GCADLP CN1CCN(c2cc(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)nc[nH+]2)CC1=O ZINC000274732016 1184231400 /nfs/dbraw/zinc/23/14/00/1184231400.db2.gz CFKDJXXXSOXZCH-SFHVURJKSA-N 2 2 396.495 0.934 20 0 GCADLP CN1CCN(c2cc(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)[nH+]cn2)CC1=O ZINC000274732016 1184231407 /nfs/dbraw/zinc/23/14/07/1184231407.db2.gz CFKDJXXXSOXZCH-SFHVURJKSA-N 2 2 396.495 0.934 20 0 GCADLP CN1CCN(c2cc(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)[nH+]cn2)CC1=O ZINC000274732016 1184231413 /nfs/dbraw/zinc/23/14/13/1184231413.db2.gz CFKDJXXXSOXZCH-SFHVURJKSA-N 2 2 396.495 0.934 20 0 GCADLP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579831926 1184306381 /nfs/dbraw/zinc/30/63/81/1184306381.db2.gz SIHLZYODLYRXTO-GOSISDBHSA-N 2 2 392.525 0.097 20 0 GCADLP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579831926 1184306387 /nfs/dbraw/zinc/30/63/87/1184306387.db2.gz SIHLZYODLYRXTO-GOSISDBHSA-N 2 2 392.525 0.097 20 0 GCADLP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC000533416001 1184380051 /nfs/dbraw/zinc/38/00/51/1184380051.db2.gz QVIWFIKOMOHRNQ-IYBDPMFKSA-N 2 2 382.549 0.839 20 0 GCADLP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC000533416001 1184380057 /nfs/dbraw/zinc/38/00/57/1184380057.db2.gz QVIWFIKOMOHRNQ-IYBDPMFKSA-N 2 2 382.549 0.839 20 0 GCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000655352559 1184387287 /nfs/dbraw/zinc/38/72/87/1184387287.db2.gz MVKZIVGAQHEEMX-KZNAEPCWSA-N 2 2 378.517 0.300 20 0 GCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000655352559 1184387291 /nfs/dbraw/zinc/38/72/91/1184387291.db2.gz MVKZIVGAQHEEMX-KZNAEPCWSA-N 2 2 378.517 0.300 20 0 GCADLP C[N@H+](CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000547732370 1184433097 /nfs/dbraw/zinc/43/30/97/1184433097.db2.gz OBRVTKKLSGAGGN-KRWDZBQOSA-N 2 2 380.533 0.690 20 0 GCADLP C[N@@H+](CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000547732370 1184433103 /nfs/dbraw/zinc/43/31/03/1184433103.db2.gz OBRVTKKLSGAGGN-KRWDZBQOSA-N 2 2 380.533 0.690 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@H]3C3CCC3)C2)CC1 ZINC000647035156 1184789450 /nfs/dbraw/zinc/78/94/50/1184789450.db2.gz YPRBMCVLKXFCNG-WMZOPIPTSA-N 2 2 378.517 0.299 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@H]3C3CCC3)C2)CC1 ZINC000647035156 1184789457 /nfs/dbraw/zinc/78/94/57/1184789457.db2.gz YPRBMCVLKXFCNG-WMZOPIPTSA-N 2 2 378.517 0.299 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC2(CCC2)O1 ZINC000579955754 1184825333 /nfs/dbraw/zinc/82/53/33/1184825333.db2.gz IWCUEFFHNQWWJD-MRXNPFEDSA-N 2 2 392.544 0.831 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275637897 1184846366 /nfs/dbraw/zinc/84/63/66/1184846366.db2.gz MNZRMLQNYRYKOU-ZWKOTPCHSA-N 2 2 389.500 0.442 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275637897 1184846371 /nfs/dbraw/zinc/84/63/71/1184846371.db2.gz MNZRMLQNYRYKOU-ZWKOTPCHSA-N 2 2 389.500 0.442 20 0 GCADLP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000579984616 1184884222 /nfs/dbraw/zinc/88/42/22/1184884222.db2.gz JTMADXCJRDUADN-MSOLQXFVSA-N 2 2 378.517 0.489 20 0 GCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000579988351 1184891185 /nfs/dbraw/zinc/89/11/85/1184891185.db2.gz ADTYPLQXMFBSQE-WMZOPIPTSA-N 2 2 380.533 0.356 20 0 GCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275734467 1184991081 /nfs/dbraw/zinc/99/10/81/1184991081.db2.gz KTRKZZIJFCKYBZ-UHFFFAOYSA-N 2 2 392.504 0.097 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000580054152 1185035976 /nfs/dbraw/zinc/03/59/76/1185035976.db2.gz LQJSHGMIDIMTLS-INIZCTEOSA-N 2 2 380.456 0.895 20 0 GCADLP CN(Cc1ncnn1CC(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683834746 1185117146 /nfs/dbraw/zinc/11/71/46/1185117146.db2.gz NBRWYODROSSHKV-CYBMUJFWSA-N 2 2 385.463 0.853 20 0 GCADLP CN(Cc1ncnn1CC(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683834746 1185117153 /nfs/dbraw/zinc/11/71/53/1185117153.db2.gz NBRWYODROSSHKV-CYBMUJFWSA-N 2 2 385.463 0.853 20 0 GCADLP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000683877591 1185171893 /nfs/dbraw/zinc/17/18/93/1185171893.db2.gz BJVHGZCNAKAVBT-IYBDPMFKSA-N 2 2 399.495 0.033 20 0 GCADLP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000683877591 1185171898 /nfs/dbraw/zinc/17/18/98/1185171898.db2.gz BJVHGZCNAKAVBT-IYBDPMFKSA-N 2 2 399.495 0.033 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3([NH+](C)C)CCC3)c2)CC1 ZINC000275848549 1185180364 /nfs/dbraw/zinc/18/03/64/1185180364.db2.gz NMKCMPZBRNRCIL-UHFFFAOYSA-N 2 2 387.528 0.973 20 0 GCADLP C[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C[NH+]1CCOCC1 ZINC000155802336 1185290032 /nfs/dbraw/zinc/29/00/32/1185290032.db2.gz LOEYWRBIADFIII-QGZVFWFLSA-N 2 2 390.532 0.601 20 0 GCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000580644300 1185296315 /nfs/dbraw/zinc/29/63/15/1185296315.db2.gz OBBDZLXEGZUFAA-XHSDSOJGSA-N 2 2 391.520 0.707 20 0 GCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000580644300 1185296320 /nfs/dbraw/zinc/29/63/20/1185296320.db2.gz OBBDZLXEGZUFAA-XHSDSOJGSA-N 2 2 391.520 0.707 20 0 GCADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000046377678 1185296972 /nfs/dbraw/zinc/29/69/72/1185296972.db2.gz UVNUTWSVTCVICZ-HNNXBMFYSA-N 2 2 386.504 0.927 20 0 GCADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000046377678 1185296976 /nfs/dbraw/zinc/29/69/76/1185296976.db2.gz UVNUTWSVTCVICZ-HNNXBMFYSA-N 2 2 386.504 0.927 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCN1C(=O)CNC1=O ZINC001104315101 1185322625 /nfs/dbraw/zinc/32/26/25/1185322625.db2.gz LMAJCRRRUCNSMQ-KBUPBQIOSA-N 2 2 388.472 0.139 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCN1C(=O)CNC1=O ZINC001104315101 1185322633 /nfs/dbraw/zinc/32/26/33/1185322633.db2.gz LMAJCRRRUCNSMQ-KBUPBQIOSA-N 2 2 388.472 0.139 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001104315367 1185326154 /nfs/dbraw/zinc/32/61/54/1185326154.db2.gz PKEBUJSJAAJRMK-QBPKDAKJSA-N 2 2 389.500 0.446 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001104315367 1185326159 /nfs/dbraw/zinc/32/61/59/1185326159.db2.gz PKEBUJSJAAJRMK-QBPKDAKJSA-N 2 2 389.500 0.446 20 0 GCADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000932957247 1185336351 /nfs/dbraw/zinc/33/63/51/1185336351.db2.gz ZOQGYQPNKJCOEK-INIZCTEOSA-N 2 2 375.473 0.485 20 0 GCADLP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000932957247 1185336359 /nfs/dbraw/zinc/33/63/59/1185336359.db2.gz ZOQGYQPNKJCOEK-INIZCTEOSA-N 2 2 375.473 0.485 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000656288633 1185337214 /nfs/dbraw/zinc/33/72/14/1185337214.db2.gz CXSKFFLVBKDXSG-QGZVFWFLSA-N 2 2 382.549 0.792 20 0 GCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000580774822 1185354365 /nfs/dbraw/zinc/35/43/65/1185354365.db2.gz XTMJBDOOXGPMEO-CQSZACIVSA-N 2 2 395.467 0.808 20 0 GCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000580774822 1185354371 /nfs/dbraw/zinc/35/43/71/1185354371.db2.gz XTMJBDOOXGPMEO-CQSZACIVSA-N 2 2 395.467 0.808 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000580834646 1185391365 /nfs/dbraw/zinc/39/13/65/1185391365.db2.gz OOLBNMJSKALBLR-RRQGHBQHSA-N 2 2 380.514 0.935 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000580834646 1185391374 /nfs/dbraw/zinc/39/13/74/1185391374.db2.gz OOLBNMJSKALBLR-RRQGHBQHSA-N 2 2 380.514 0.935 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000656315950 1185401337 /nfs/dbraw/zinc/40/13/37/1185401337.db2.gz NRIJLPWRGCTUAC-QXAKKESOSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000656315950 1185401338 /nfs/dbraw/zinc/40/13/38/1185401338.db2.gz NRIJLPWRGCTUAC-QXAKKESOSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315950 1185401340 /nfs/dbraw/zinc/40/13/40/1185401340.db2.gz NRIJLPWRGCTUAC-QXAKKESOSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315950 1185401343 /nfs/dbraw/zinc/40/13/43/1185401343.db2.gz NRIJLPWRGCTUAC-QXAKKESOSA-N 3 2 391.560 0.404 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337536 1185433744 /nfs/dbraw/zinc/43/37/44/1185433744.db2.gz UNMGXNQVTGSWPL-MWDXBVQZSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337536 1185433751 /nfs/dbraw/zinc/43/37/51/1185433751.db2.gz UNMGXNQVTGSWPL-MWDXBVQZSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337536 1185433754 /nfs/dbraw/zinc/43/37/54/1185433754.db2.gz UNMGXNQVTGSWPL-MWDXBVQZSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000656343690 1185437260 /nfs/dbraw/zinc/43/72/60/1185437260.db2.gz OVGJKTKDNHQDMB-SFFUCWETSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000656343690 1185437266 /nfs/dbraw/zinc/43/72/66/1185437266.db2.gz OVGJKTKDNHQDMB-SFFUCWETSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000656343690 1185437269 /nfs/dbraw/zinc/43/72/69/1185437269.db2.gz OVGJKTKDNHQDMB-SFFUCWETSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000656343690 1185437272 /nfs/dbraw/zinc/43/72/72/1185437272.db2.gz OVGJKTKDNHQDMB-SFFUCWETSA-N 2 2 382.549 0.837 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354293 1185446976 /nfs/dbraw/zinc/44/69/76/1185446976.db2.gz BTEKDEJUTBZVJX-MOPGFXCFSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354293 1185446982 /nfs/dbraw/zinc/44/69/82/1185446982.db2.gz BTEKDEJUTBZVJX-MOPGFXCFSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354293 1185446985 /nfs/dbraw/zinc/44/69/85/1185446985.db2.gz BTEKDEJUTBZVJX-MOPGFXCFSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354293 1185446992 /nfs/dbraw/zinc/44/69/92/1185446992.db2.gz BTEKDEJUTBZVJX-MOPGFXCFSA-N 3 2 393.576 0.604 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356504 1185457561 /nfs/dbraw/zinc/45/75/61/1185457561.db2.gz FDOLOTPJNYJNLY-IAGOWNOFSA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356504 1185457566 /nfs/dbraw/zinc/45/75/66/1185457566.db2.gz FDOLOTPJNYJNLY-IAGOWNOFSA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356504 1185457568 /nfs/dbraw/zinc/45/75/68/1185457568.db2.gz FDOLOTPJNYJNLY-IAGOWNOFSA-N 2 2 380.533 0.689 20 0 GCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356504 1185457572 /nfs/dbraw/zinc/45/75/72/1185457572.db2.gz FDOLOTPJNYJNLY-IAGOWNOFSA-N 2 2 380.533 0.689 20 0 GCADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C(=O)NC2C[NH2+]C2)cc1 ZINC000581002218 1185468876 /nfs/dbraw/zinc/46/88/76/1185468876.db2.gz YDNLOVLGMATLSG-UHFFFAOYSA-N 2 2 385.468 0.789 20 0 GCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581079010 1185487526 /nfs/dbraw/zinc/48/75/26/1185487526.db2.gz BBUWAXPCCKDPTB-HNNXBMFYSA-N 2 2 386.456 0.498 20 0 GCADLP COc1ccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)cc1S(=O)(=O)N(C)C ZINC000430554530 1185586048 /nfs/dbraw/zinc/58/60/48/1185586048.db2.gz NMIITIPIGQJQSL-QGZVFWFLSA-N 2 2 386.518 0.847 20 0 GCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430571350 1185621581 /nfs/dbraw/zinc/62/15/81/1185621581.db2.gz LYKLWVBXVKJNQP-SFHVURJKSA-N 2 2 398.529 0.609 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000581383649 1185629009 /nfs/dbraw/zinc/62/90/09/1185629009.db2.gz QCEPEWLVHLFRCX-MSOLQXFVSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000430589435 1185649471 /nfs/dbraw/zinc/64/94/71/1185649471.db2.gz AMFIUDZIZRYEOQ-IBGZPJMESA-N 2 2 396.557 0.624 20 0 GCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000430594055 1185658367 /nfs/dbraw/zinc/65/83/67/1185658367.db2.gz VAJXETRBBMCHNW-SFHVURJKSA-N 2 2 398.504 0.376 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000048457212 1185736364 /nfs/dbraw/zinc/73/63/64/1185736364.db2.gz PMDKFOPFPVTZMD-IAGOWNOFSA-N 2 2 397.564 0.776 20 0 GCADLP CC(C)Cc1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000684301876 1185752934 /nfs/dbraw/zinc/75/29/34/1185752934.db2.gz NCQUEPYLPOQPME-HNNXBMFYSA-N 2 2 388.516 0.898 20 0 GCADLP CC(C)Cc1ncc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000684301876 1185752938 /nfs/dbraw/zinc/75/29/38/1185752938.db2.gz NCQUEPYLPOQPME-HNNXBMFYSA-N 2 2 388.516 0.898 20 0 GCADLP C[C@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC[NH2+]1 ZINC000510435036 1185778614 /nfs/dbraw/zinc/77/86/14/1185778614.db2.gz RBCYFFZNLFEOKZ-GOSISDBHSA-N 2 2 395.529 0.182 20 0 GCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000430623936 1185801610 /nfs/dbraw/zinc/80/16/10/1185801610.db2.gz HLCOEFVNGJEWMQ-GFCCVEGCSA-N 2 2 397.405 0.968 20 0 GCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000430623936 1185801620 /nfs/dbraw/zinc/80/16/20/1185801620.db2.gz HLCOEFVNGJEWMQ-GFCCVEGCSA-N 2 2 397.405 0.968 20 0 GCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000430623937 1185801999 /nfs/dbraw/zinc/80/19/99/1185801999.db2.gz HLCOEFVNGJEWMQ-LBPRGKRZSA-N 2 2 397.405 0.968 20 0 GCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000430623937 1185802006 /nfs/dbraw/zinc/80/20/06/1185802006.db2.gz HLCOEFVNGJEWMQ-LBPRGKRZSA-N 2 2 397.405 0.968 20 0 GCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000430634476 1185824815 /nfs/dbraw/zinc/82/48/15/1185824815.db2.gz RXCBGSHWFKQUNL-INIZCTEOSA-N 3 2 393.557 0.179 20 0 GCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000430634476 1185824817 /nfs/dbraw/zinc/82/48/17/1185824817.db2.gz RXCBGSHWFKQUNL-INIZCTEOSA-N 3 2 393.557 0.179 20 0 GCADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430642679 1185853038 /nfs/dbraw/zinc/85/30/38/1185853038.db2.gz KPOGXCYPUSVKIE-HNNXBMFYSA-N 2 2 390.484 0.786 20 0 GCADLP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430642679 1185853046 /nfs/dbraw/zinc/85/30/46/1185853046.db2.gz KPOGXCYPUSVKIE-HNNXBMFYSA-N 2 2 390.484 0.786 20 0 GCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000891465267 1185880317 /nfs/dbraw/zinc/88/03/17/1185880317.db2.gz SRFSCLHBMBKXLV-OXJNMPFZSA-N 2 2 386.500 0.371 20 0 GCADLP O=C(CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000891466078 1185880483 /nfs/dbraw/zinc/88/04/83/1185880483.db2.gz YJKOWQBDQNMSCU-IRXDYDNUSA-N 2 2 386.500 0.656 20 0 GCADLP COc1ccc(C[C@](C)(CO)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000933425011 1185886221 /nfs/dbraw/zinc/88/62/21/1185886221.db2.gz WYTZCPQMZYLGNK-OAQYLSRUSA-N 2 2 393.528 0.805 20 0 GCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000079984934 1185889782 /nfs/dbraw/zinc/88/97/82/1185889782.db2.gz CAYAJBHXVUJCHP-KRWDZBQOSA-N 2 2 375.521 0.772 20 0 GCADLP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000581822675 1185901836 /nfs/dbraw/zinc/90/18/36/1185901836.db2.gz JJQBTBHJAXGQSD-IBGZPJMESA-N 2 2 395.511 0.866 20 0 GCADLP Cn1c2nnc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)n2c2ccsc2c1=O ZINC000581825089 1185903406 /nfs/dbraw/zinc/90/34/06/1185903406.db2.gz YPCQCHDFKVRTDU-DOMZBBRYSA-N 2 2 388.497 0.971 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559237 1185919939 /nfs/dbraw/zinc/91/99/39/1185919939.db2.gz CXWBDIMSGDWGQV-FUHWJXTLSA-N 3 2 379.549 0.613 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559237 1185919942 /nfs/dbraw/zinc/91/99/42/1185919942.db2.gz CXWBDIMSGDWGQV-FUHWJXTLSA-N 3 2 379.549 0.613 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559238 1185920463 /nfs/dbraw/zinc/92/04/63/1185920463.db2.gz CXWBDIMSGDWGQV-SJLPKXTDSA-N 3 2 379.549 0.613 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559238 1185920466 /nfs/dbraw/zinc/92/04/66/1185920466.db2.gz CXWBDIMSGDWGQV-SJLPKXTDSA-N 3 2 379.549 0.613 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H](C)C1 ZINC000581911577 1185970833 /nfs/dbraw/zinc/97/08/33/1185970833.db2.gz ASCNVXWMKYADNB-WBVHZDCISA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H](C)C1 ZINC000581911577 1185970836 /nfs/dbraw/zinc/97/08/36/1185970836.db2.gz ASCNVXWMKYADNB-WBVHZDCISA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H](C)C1 ZINC000581911577 1185970840 /nfs/dbraw/zinc/97/08/40/1185970840.db2.gz ASCNVXWMKYADNB-WBVHZDCISA-N 2 2 394.516 0.215 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@H](C)C1 ZINC000581911577 1185970844 /nfs/dbraw/zinc/97/08/44/1185970844.db2.gz ASCNVXWMKYADNB-WBVHZDCISA-N 2 2 394.516 0.215 20 0 GCADLP CC(C)n1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001087181102 1186115050 /nfs/dbraw/zinc/11/50/50/1186115050.db2.gz AFPJMLXYQUOTLN-WCXIOVBPSA-N 2 2 393.536 0.690 20 0 GCADLP CC(C)n1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001087181102 1186115054 /nfs/dbraw/zinc/11/50/54/1186115054.db2.gz AFPJMLXYQUOTLN-WCXIOVBPSA-N 2 2 393.536 0.690 20 0 GCADLP O=C(NCC[NH+]1CCC(O)CC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000891923844 1186162228 /nfs/dbraw/zinc/16/22/28/1186162228.db2.gz QAARPXNRAGVSQP-UHFFFAOYSA-N 2 2 393.507 0.704 20 0 GCADLP CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849644 1186256250 /nfs/dbraw/zinc/25/62/50/1186256250.db2.gz LAVZCPYZNLHPSV-ZWKOTPCHSA-N 2 2 395.548 0.034 20 0 GCADLP CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849644 1186256254 /nfs/dbraw/zinc/25/62/54/1186256254.db2.gz LAVZCPYZNLHPSV-ZWKOTPCHSA-N 2 2 395.548 0.034 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCCN3CC[NH2+]CC3)C2)cc1 ZINC000891968927 1186260537 /nfs/dbraw/zinc/26/05/37/1186260537.db2.gz RHJPKQZEDSBZES-HXUWFJFHSA-N 2 2 389.544 0.790 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCCCN3CC[NH2+]CC3)C2)cc1 ZINC000891968927 1186260543 /nfs/dbraw/zinc/26/05/43/1186260543.db2.gz RHJPKQZEDSBZES-HXUWFJFHSA-N 2 2 389.544 0.790 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000151128271 1186283957 /nfs/dbraw/zinc/28/39/57/1186283957.db2.gz VJXUQRAZFRZESM-IBGZPJMESA-N 2 2 390.528 0.986 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000151128271 1186283964 /nfs/dbraw/zinc/28/39/64/1186283964.db2.gz VJXUQRAZFRZESM-IBGZPJMESA-N 2 2 390.528 0.986 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000151342730 1186286396 /nfs/dbraw/zinc/28/63/96/1186286396.db2.gz NTNHOTRQMRDWMK-MSOLQXFVSA-N 2 2 377.533 0.998 20 0 GCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000563153073 1186313689 /nfs/dbraw/zinc/31/36/89/1186313689.db2.gz XNVPRBCFSRXNLB-HNNXBMFYSA-N 2 2 398.504 0.200 20 0 GCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000563153073 1186313691 /nfs/dbraw/zinc/31/36/91/1186313691.db2.gz XNVPRBCFSRXNLB-HNNXBMFYSA-N 2 2 398.504 0.200 20 0 GCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533867497 1186317027 /nfs/dbraw/zinc/31/70/27/1186317027.db2.gz VCFRRDCMWYSSGF-HNNXBMFYSA-N 2 2 391.497 0.216 20 0 GCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533867497 1186317033 /nfs/dbraw/zinc/31/70/33/1186317033.db2.gz VCFRRDCMWYSSGF-HNNXBMFYSA-N 2 2 391.497 0.216 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)c1 ZINC000892170051 1186395677 /nfs/dbraw/zinc/39/56/77/1186395677.db2.gz RPLOGWXGMNQXRP-RBUKOAKNSA-N 2 2 376.501 0.874 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)c1 ZINC000892170051 1186395688 /nfs/dbraw/zinc/39/56/88/1186395688.db2.gz RPLOGWXGMNQXRP-RBUKOAKNSA-N 2 2 376.501 0.874 20 0 GCADLP C[C@H](CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000157892823 1186400012 /nfs/dbraw/zinc/40/00/12/1186400012.db2.gz VWFWWIVZHVOLQC-QGZVFWFLSA-N 2 2 390.532 0.601 20 0 GCADLP Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(N(C)C)[nH+]1 ZINC000785119568 1186440819 /nfs/dbraw/zinc/44/08/19/1186440819.db2.gz QCTYDTQTAHXICX-DLBZAZTESA-N 2 2 389.500 0.889 20 0 GCADLP CCCCNc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000413481676 1186520318 /nfs/dbraw/zinc/52/03/18/1186520318.db2.gz NZCCNAIFKIYBAA-UHFFFAOYSA-N 2 2 377.537 0.901 20 0 GCADLP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000111268210 1186531884 /nfs/dbraw/zinc/53/18/84/1186531884.db2.gz OBHFLHNPTDPLPY-QGZVFWFLSA-N 2 2 380.533 0.596 20 0 GCADLP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000111268210 1186531886 /nfs/dbraw/zinc/53/18/86/1186531886.db2.gz OBHFLHNPTDPLPY-QGZVFWFLSA-N 2 2 380.533 0.596 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001022749138 1186542750 /nfs/dbraw/zinc/54/27/50/1186542750.db2.gz REWDFQITHIERTL-BVIKNXMNSA-N 2 2 382.468 0.788 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022747929 1186543541 /nfs/dbraw/zinc/54/35/41/1186543541.db2.gz JKINWKGQJOIVMG-BVIKNXMNSA-N 2 2 383.496 0.679 20 0 GCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582538904 1186560656 /nfs/dbraw/zinc/56/06/56/1186560656.db2.gz KEFMIVOSUILOLU-RFXPCRSYSA-N 2 2 392.544 0.686 20 0 GCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582538904 1186560661 /nfs/dbraw/zinc/56/06/61/1186560661.db2.gz KEFMIVOSUILOLU-RFXPCRSYSA-N 2 2 392.544 0.686 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582538904 1186560663 /nfs/dbraw/zinc/56/06/63/1186560663.db2.gz KEFMIVOSUILOLU-RFXPCRSYSA-N 2 2 392.544 0.686 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582538904 1186560665 /nfs/dbraw/zinc/56/06/65/1186560665.db2.gz KEFMIVOSUILOLU-RFXPCRSYSA-N 2 2 392.544 0.686 20 0 GCADLP C[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000563206603 1186564279 /nfs/dbraw/zinc/56/42/79/1186564279.db2.gz NUKHYKHAOMBXGT-LZQZEXGQSA-N 2 2 376.476 0.926 20 0 GCADLP NC(=O)[C@@]1([NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCOC1 ZINC000582734324 1186634001 /nfs/dbraw/zinc/63/40/01/1186634001.db2.gz WIXZYJREUPULQU-JOCHJYFZSA-N 2 2 396.491 0.718 20 0 GCADLP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000582799915 1186682613 /nfs/dbraw/zinc/68/26/13/1186682613.db2.gz FSYYLEHAGIAPLW-SFHVURJKSA-N 2 2 382.549 0.698 20 0 GCADLP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000582799914 1186683235 /nfs/dbraw/zinc/68/32/35/1186683235.db2.gz FSYYLEHAGIAPLW-GOSISDBHSA-N 2 2 382.549 0.698 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642921700 1186684894 /nfs/dbraw/zinc/68/48/94/1186684894.db2.gz RQRXLNHLWSMTBA-OALUTQOASA-N 3 2 387.528 0.430 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642921700 1186684900 /nfs/dbraw/zinc/68/49/00/1186684900.db2.gz RQRXLNHLWSMTBA-OALUTQOASA-N 3 2 387.528 0.430 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000582835278 1186706344 /nfs/dbraw/zinc/70/63/44/1186706344.db2.gz GEMBIWHDOZEONF-FGTMMUONSA-N 2 2 395.935 0.915 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000582835278 1186706349 /nfs/dbraw/zinc/70/63/49/1186706349.db2.gz GEMBIWHDOZEONF-FGTMMUONSA-N 2 2 395.935 0.915 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000582835279 1186706508 /nfs/dbraw/zinc/70/65/08/1186706508.db2.gz GEMBIWHDOZEONF-OKZBNKHCSA-N 2 2 395.935 0.915 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000582835279 1186706511 /nfs/dbraw/zinc/70/65/11/1186706511.db2.gz GEMBIWHDOZEONF-OKZBNKHCSA-N 2 2 395.935 0.915 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277949850 1186717904 /nfs/dbraw/zinc/71/79/04/1186717904.db2.gz XQHBSKRUJVRTHN-OAHLLOKOSA-N 2 2 376.530 0.773 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277949850 1186717906 /nfs/dbraw/zinc/71/79/06/1186717906.db2.gz XQHBSKRUJVRTHN-OAHLLOKOSA-N 2 2 376.530 0.773 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000277949850 1186717910 /nfs/dbraw/zinc/71/79/10/1186717910.db2.gz XQHBSKRUJVRTHN-OAHLLOKOSA-N 2 2 376.530 0.773 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000277949850 1186717912 /nfs/dbraw/zinc/71/79/12/1186717912.db2.gz XQHBSKRUJVRTHN-OAHLLOKOSA-N 2 2 376.530 0.773 20 0 GCADLP CCCCn1c2nc(C[NH+]3CCC(OCCC[NH3+])CC3)n(C)c2c(=O)[nH]c1=O ZINC000582905757 1186728263 /nfs/dbraw/zinc/72/82/63/1186728263.db2.gz HNNVEVZNYYAHCK-UHFFFAOYSA-N 2 2 392.504 0.966 20 0 GCADLP CC(C)[C@@H](CCO)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000161917056 1186736856 /nfs/dbraw/zinc/73/68/56/1186736856.db2.gz KSDGYUXWVOBIBG-OAHLLOKOSA-N 2 2 375.477 0.009 20 0 GCADLP COc1ccc(C[C@@H](C)[NH3+])cc1S(=O)(=O)Nc1nccc(C2C[NH2+]C2)n1 ZINC001167647482 1186748688 /nfs/dbraw/zinc/74/86/88/1186748688.db2.gz GHVMXDZZUQYCLH-LLVKDONJSA-N 2 2 377.470 0.863 20 0 GCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743340 1186800908 /nfs/dbraw/zinc/80/09/08/1186800908.db2.gz APNMERHMYIDYIQ-MSOLQXFVSA-N 2 2 380.533 0.500 20 0 GCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743340 1186800912 /nfs/dbraw/zinc/80/09/12/1186800912.db2.gz APNMERHMYIDYIQ-MSOLQXFVSA-N 2 2 380.533 0.500 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000657743297 1186802159 /nfs/dbraw/zinc/80/21/59/1186802159.db2.gz AILVBLXUKFQGCC-LJQANCHMSA-N 2 2 392.544 0.787 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000657745410 1186805621 /nfs/dbraw/zinc/80/56/21/1186805621.db2.gz PXBGZKOGPSZDEZ-QZTJIDSGSA-N 2 2 378.517 0.396 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657745413 1186805753 /nfs/dbraw/zinc/80/57/53/1186805753.db2.gz PXGQOPVVASOWSJ-GOSISDBHSA-N 2 2 387.484 0.053 20 0 GCADLP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657745482 1186806387 /nfs/dbraw/zinc/80/63/87/1186806387.db2.gz QTOJOTWDIOLEDJ-SFHVURJKSA-N 2 2 378.517 0.396 20 0 GCADLP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657744715 1186808920 /nfs/dbraw/zinc/80/89/20/1186808920.db2.gz KZLPSSMOTBPCJF-LJQANCHMSA-N 2 2 394.560 0.890 20 0 GCADLP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657745973 1186812461 /nfs/dbraw/zinc/81/24/61/1186812461.db2.gz UNAMGPKCVUJOSV-GOSISDBHSA-N 2 2 394.560 0.890 20 0 GCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000150975316 1186848157 /nfs/dbraw/zinc/84/81/57/1186848157.db2.gz NVDAREKLAZNLHX-AWEZNQCLSA-N 2 2 382.530 0.927 20 0 GCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000150975316 1186848160 /nfs/dbraw/zinc/84/81/60/1186848160.db2.gz NVDAREKLAZNLHX-AWEZNQCLSA-N 2 2 382.530 0.927 20 0 GCADLP CN1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+](C)CC1 ZINC000888989686 1186877523 /nfs/dbraw/zinc/87/75/23/1186877523.db2.gz VRUWSARSPWPGJA-UHFFFAOYSA-N 2 2 397.564 0.635 20 0 GCADLP CN1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+](C)CC1 ZINC000888989686 1186877529 /nfs/dbraw/zinc/87/75/29/1186877529.db2.gz VRUWSARSPWPGJA-UHFFFAOYSA-N 2 2 397.564 0.635 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSCC2CC[NH2+]CC2)CC1 ZINC000583629257 1186903836 /nfs/dbraw/zinc/90/38/36/1186903836.db2.gz XWTJSYHCIHLAEL-UHFFFAOYSA-N 2 2 389.529 0.745 20 0 GCADLP CC(C)C[C@@H](CCO)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685179193 1186914825 /nfs/dbraw/zinc/91/48/25/1186914825.db2.gz XOGHFRHUZCPYSV-IEBWSBKVSA-N 2 2 396.576 0.774 20 0 GCADLP CC(C)C[C@@H](CCO)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685179193 1186914826 /nfs/dbraw/zinc/91/48/26/1186914826.db2.gz XOGHFRHUZCPYSV-IEBWSBKVSA-N 2 2 396.576 0.774 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000583691274 1186917892 /nfs/dbraw/zinc/91/78/92/1186917892.db2.gz ILLRSSFGQWNAFJ-OAQYLSRUSA-N 2 2 380.496 0.646 20 0 GCADLP CO[C@]1(C)C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685186040 1186922726 /nfs/dbraw/zinc/92/27/26/1186922726.db2.gz QJBVHWDNSKHLSD-XGHQBKJUSA-N 2 2 394.560 0.933 20 0 GCADLP CO[C@]1(C)C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000685186040 1186922727 /nfs/dbraw/zinc/92/27/27/1186922727.db2.gz QJBVHWDNSKHLSD-XGHQBKJUSA-N 2 2 394.560 0.933 20 0 GCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000458658318 1186930188 /nfs/dbraw/zinc/93/01/88/1186930188.db2.gz RQYLTMGGKXPCCP-AQNXPRMDSA-N 2 2 388.512 0.916 20 0 GCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000458658318 1186930192 /nfs/dbraw/zinc/93/01/92/1186930192.db2.gz RQYLTMGGKXPCCP-AQNXPRMDSA-N 2 2 388.512 0.916 20 0 GCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000458658318 1186930195 /nfs/dbraw/zinc/93/01/95/1186930195.db2.gz RQYLTMGGKXPCCP-AQNXPRMDSA-N 2 2 388.512 0.916 20 0 GCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000458658318 1186930198 /nfs/dbraw/zinc/93/01/98/1186930198.db2.gz RQYLTMGGKXPCCP-AQNXPRMDSA-N 2 2 388.512 0.916 20 0 GCADLP Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050802973 1186953217 /nfs/dbraw/zinc/95/32/17/1186953217.db2.gz KCAFXEXDGGRWHP-UHFFFAOYSA-N 2 2 394.541 0.931 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC000657825046 1186994428 /nfs/dbraw/zinc/99/44/28/1186994428.db2.gz VHUAKOYZZMVADE-UHFFFAOYSA-N 2 2 399.495 0.951 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC000657825046 1186994432 /nfs/dbraw/zinc/99/44/32/1186994432.db2.gz VHUAKOYZZMVADE-UHFFFAOYSA-N 2 2 399.495 0.951 20 0 GCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329661152 1186995006 /nfs/dbraw/zinc/99/50/06/1186995006.db2.gz IOHIXSQRUGPZDP-ZWKOTPCHSA-N 2 2 380.533 0.498 20 0 GCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329661152 1186995007 /nfs/dbraw/zinc/99/50/07/1186995007.db2.gz IOHIXSQRUGPZDP-ZWKOTPCHSA-N 2 2 380.533 0.498 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000584100402 1186998848 /nfs/dbraw/zinc/99/88/48/1186998848.db2.gz ZQDQUTRCHMVJSH-GOSISDBHSA-N 2 2 397.564 0.145 20 0 GCADLP CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000584221375 1187016759 /nfs/dbraw/zinc/01/67/59/1187016759.db2.gz XEDDIGNWDOTFPW-RBUKOAKNSA-N 2 2 375.517 0.214 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000248638361 1187029832 /nfs/dbraw/zinc/02/98/32/1187029832.db2.gz QUWNAFZJSSCJBO-SJORKVTESA-N 2 2 390.532 0.430 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000248638361 1187029836 /nfs/dbraw/zinc/02/98/36/1187029836.db2.gz QUWNAFZJSSCJBO-SJORKVTESA-N 2 2 390.532 0.430 20 0 GCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000584366323 1187041786 /nfs/dbraw/zinc/04/17/86/1187041786.db2.gz VYPHVUCWIFLPGO-MRXNPFEDSA-N 2 2 377.489 0.491 20 0 GCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000584366323 1187041790 /nfs/dbraw/zinc/04/17/90/1187041790.db2.gz VYPHVUCWIFLPGO-MRXNPFEDSA-N 2 2 377.489 0.491 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083717539 1187052055 /nfs/dbraw/zinc/05/20/55/1187052055.db2.gz QKOUAKNEMMAWNJ-HNNXBMFYSA-N 2 2 379.509 0.228 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083717539 1187052059 /nfs/dbraw/zinc/05/20/59/1187052059.db2.gz QKOUAKNEMMAWNJ-HNNXBMFYSA-N 2 2 379.509 0.228 20 0 GCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000685304096 1187059699 /nfs/dbraw/zinc/05/96/99/1187059699.db2.gz YTTCXDTVVRBKEW-MNEFBYGVSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000685304096 1187059701 /nfs/dbraw/zinc/05/97/01/1187059701.db2.gz YTTCXDTVVRBKEW-MNEFBYGVSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685304096 1187059704 /nfs/dbraw/zinc/05/97/04/1187059704.db2.gz YTTCXDTVVRBKEW-MNEFBYGVSA-N 3 2 391.560 0.212 20 0 GCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685304096 1187059710 /nfs/dbraw/zinc/05/97/10/1187059710.db2.gz YTTCXDTVVRBKEW-MNEFBYGVSA-N 3 2 391.560 0.212 20 0 GCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCN(c4ccc(C(N)=O)cc4)CC3)cn2)CC1 ZINC000093534065 1187075014 /nfs/dbraw/zinc/07/50/14/1187075014.db2.gz GDRONTSMDUIMGK-UHFFFAOYSA-N 2 2 395.511 0.650 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000657874179 1187088744 /nfs/dbraw/zinc/08/87/44/1187088744.db2.gz QCXFPLHVDPJUBD-CALCHBBNSA-N 2 2 389.500 0.298 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000657874179 1187088750 /nfs/dbraw/zinc/08/87/50/1187088750.db2.gz QCXFPLHVDPJUBD-CALCHBBNSA-N 2 2 389.500 0.298 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685339097 1187102658 /nfs/dbraw/zinc/10/26/58/1187102658.db2.gz HBQBYHPAEACSJR-MJGOQNOKSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685339097 1187102661 /nfs/dbraw/zinc/10/26/61/1187102661.db2.gz HBQBYHPAEACSJR-MJGOQNOKSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685339097 1187102666 /nfs/dbraw/zinc/10/26/66/1187102666.db2.gz HBQBYHPAEACSJR-MJGOQNOKSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339097 1187102671 /nfs/dbraw/zinc/10/26/71/1187102671.db2.gz HBQBYHPAEACSJR-MJGOQNOKSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341483 1187104992 /nfs/dbraw/zinc/10/49/92/1187104992.db2.gz MWQLKOVLIDZMLI-JYSRZZCRSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341483 1187104997 /nfs/dbraw/zinc/10/49/97/1187104997.db2.gz MWQLKOVLIDZMLI-JYSRZZCRSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685337028 1187105465 /nfs/dbraw/zinc/10/54/65/1187105465.db2.gz YFFOUZIVSIOOPT-SJLPKXTDSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337028 1187105466 /nfs/dbraw/zinc/10/54/66/1187105466.db2.gz YFFOUZIVSIOOPT-SJLPKXTDSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612036961 1187242909 /nfs/dbraw/zinc/24/29/09/1187242909.db2.gz BAPKMDYNZURSAQ-XLAORIBOSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612036961 1187242910 /nfs/dbraw/zinc/24/29/10/1187242910.db2.gz BAPKMDYNZURSAQ-XLAORIBOSA-N 2 2 382.549 0.837 20 0 GCADLP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000658146544 1187249215 /nfs/dbraw/zinc/24/92/15/1187249215.db2.gz QHKZKWIKKMVIJM-QGZVFWFLSA-N 2 2 378.517 0.254 20 0 GCADLP CO[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000658539623 1187333876 /nfs/dbraw/zinc/33/38/76/1187333876.db2.gz FHAPEAAJJNBMAW-OALUTQOASA-N 2 2 394.560 0.935 20 0 GCADLP CO[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000658539623 1187333879 /nfs/dbraw/zinc/33/38/79/1187333879.db2.gz FHAPEAAJJNBMAW-OALUTQOASA-N 2 2 394.560 0.935 20 0 GCADLP Cc1nc2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736231 1187387187 /nfs/dbraw/zinc/38/71/87/1187387187.db2.gz ZNJCLVZTABLJMI-QGZVFWFLSA-N 2 2 399.499 0.603 20 0 GCADLP Cc1nc2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736231 1187387191 /nfs/dbraw/zinc/38/71/91/1187387191.db2.gz ZNJCLVZTABLJMI-QGZVFWFLSA-N 2 2 399.499 0.603 20 0 GCADLP O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000375799903 1187421319 /nfs/dbraw/zinc/42/13/19/1187421319.db2.gz XBDLGUILDSZRLO-MOPGFXCFSA-N 2 2 392.569 0.923 20 0 GCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000658780005 1187461824 /nfs/dbraw/zinc/46/18/24/1187461824.db2.gz ZJPYJWUFCXUJLR-SFHVURJKSA-N 2 2 380.533 0.642 20 0 GCADLP CN(C(=O)C(=O)NCCCOC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000612361614 1187474710 /nfs/dbraw/zinc/47/47/10/1187474710.db2.gz ZNHHEFTVCVGRFY-QGZVFWFLSA-N 2 2 382.549 0.935 20 0 GCADLP CN(C(=O)C(=O)NCCCOC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000612361614 1187474713 /nfs/dbraw/zinc/47/47/13/1187474713.db2.gz ZNHHEFTVCVGRFY-QGZVFWFLSA-N 2 2 382.549 0.935 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612488340 1187507076 /nfs/dbraw/zinc/50/70/76/1187507076.db2.gz ZKKQNFRKTHVICC-QZTJIDSGSA-N 2 2 380.533 0.546 20 0 GCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544539 1187522055 /nfs/dbraw/zinc/52/20/55/1187522055.db2.gz DSGIMACXZKABND-FUHWJXTLSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544539 1187522059 /nfs/dbraw/zinc/52/20/59/1187522059.db2.gz DSGIMACXZKABND-FUHWJXTLSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544539 1187522063 /nfs/dbraw/zinc/52/20/63/1187522063.db2.gz DSGIMACXZKABND-FUHWJXTLSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544539 1187522067 /nfs/dbraw/zinc/52/20/67/1187522067.db2.gz DSGIMACXZKABND-FUHWJXTLSA-N 3 2 379.549 0.214 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000612596669 1187536114 /nfs/dbraw/zinc/53/61/14/1187536114.db2.gz RSUUCALZPVIGHF-KBAYOESNSA-N 2 2 389.500 0.662 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOc2ccccc2C1 ZINC000658818614 1187550295 /nfs/dbraw/zinc/55/02/95/1187550295.db2.gz PCLQYRHFLOFQKV-UHFFFAOYSA-N 2 2 388.512 0.892 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOc2ccccc2C1 ZINC000658818614 1187550297 /nfs/dbraw/zinc/55/02/97/1187550297.db2.gz PCLQYRHFLOFQKV-UHFFFAOYSA-N 2 2 388.512 0.892 20 0 GCADLP CC[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000413881772 1187558464 /nfs/dbraw/zinc/55/84/64/1187558464.db2.gz PRPNQJZZGYUBKE-RTBURBONSA-N 2 2 396.576 0.789 20 0 GCADLP CC[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000413881772 1187558467 /nfs/dbraw/zinc/55/84/67/1187558467.db2.gz PRPNQJZZGYUBKE-RTBURBONSA-N 2 2 396.576 0.789 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000612714302 1187561232 /nfs/dbraw/zinc/56/12/32/1187561232.db2.gz KTJJSWOSNNAWFJ-GOSISDBHSA-N 2 2 395.548 0.483 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+](C)C1 ZINC000413896062 1187573619 /nfs/dbraw/zinc/57/36/19/1187573619.db2.gz FVYUCQFRCWBKAW-OALUTQOASA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+](C)C1 ZINC000413896062 1187573622 /nfs/dbraw/zinc/57/36/22/1187573622.db2.gz FVYUCQFRCWBKAW-OALUTQOASA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413896062 1187573625 /nfs/dbraw/zinc/57/36/25/1187573625.db2.gz FVYUCQFRCWBKAW-OALUTQOASA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413896062 1187573626 /nfs/dbraw/zinc/57/36/26/1187573626.db2.gz FVYUCQFRCWBKAW-OALUTQOASA-N 2 2 389.496 0.841 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+](C)C1 ZINC000413906680 1187579632 /nfs/dbraw/zinc/57/96/32/1187579632.db2.gz SCLFSBHMGBPDMB-QZTJIDSGSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+](C)C1 ZINC000413906680 1187579634 /nfs/dbraw/zinc/57/96/34/1187579634.db2.gz SCLFSBHMGBPDMB-QZTJIDSGSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413906680 1187579638 /nfs/dbraw/zinc/57/96/38/1187579638.db2.gz SCLFSBHMGBPDMB-QZTJIDSGSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+](C)C1 ZINC000413906680 1187579640 /nfs/dbraw/zinc/57/96/40/1187579640.db2.gz SCLFSBHMGBPDMB-QZTJIDSGSA-N 2 2 375.469 0.451 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+](C)C1 ZINC000413911784 1187582333 /nfs/dbraw/zinc/58/23/33/1187582333.db2.gz ZDUJWBARYLWFGE-IBGZPJMESA-N 2 2 388.512 0.611 20 0 GCADLP COC(=O)[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+](C)C1 ZINC000413911784 1187582335 /nfs/dbraw/zinc/58/23/35/1187582335.db2.gz ZDUJWBARYLWFGE-IBGZPJMESA-N 2 2 388.512 0.611 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](CC)[C@@H](C)C3)[nH]n2)C[C@@H]1C ZINC000612952895 1187625355 /nfs/dbraw/zinc/62/53/55/1187625355.db2.gz GFLGSTFQTUPRRF-GJZGRUSLSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](CC)[C@@H](C)C3)[nH]n2)C[C@@H]1C ZINC000612952895 1187625362 /nfs/dbraw/zinc/62/53/62/1187625362.db2.gz GFLGSTFQTUPRRF-GJZGRUSLSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@H+](CC)[C@@H](C)C3)n[nH]2)C[C@@H]1C ZINC000612952895 1187625365 /nfs/dbraw/zinc/62/53/65/1187625365.db2.gz GFLGSTFQTUPRRF-GJZGRUSLSA-N 2 2 376.505 0.742 20 0 GCADLP CC[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[N@@H+](CC)[C@@H](C)C3)n[nH]2)C[C@@H]1C ZINC000612952895 1187625369 /nfs/dbraw/zinc/62/53/69/1187625369.db2.gz GFLGSTFQTUPRRF-GJZGRUSLSA-N 2 2 376.505 0.742 20 0 GCADLP CN(C(=O)c1nc2n(n1)CCCN2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612960533 1187627052 /nfs/dbraw/zinc/62/70/52/1187627052.db2.gz QVLPCHZCDNKCPT-SJORKVTESA-N 2 2 389.548 0.760 20 0 GCADLP CN(C(=O)c1nc2n(n1)CCCN2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612960533 1187627055 /nfs/dbraw/zinc/62/70/55/1187627055.db2.gz QVLPCHZCDNKCPT-SJORKVTESA-N 2 2 389.548 0.760 20 0 GCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000685825899 1187630227 /nfs/dbraw/zinc/63/02/27/1187630227.db2.gz MSIRLTBKPTZMIL-VQIMIIECSA-N 2 2 377.489 0.200 20 0 GCADLP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000685825899 1187630232 /nfs/dbraw/zinc/63/02/32/1187630232.db2.gz MSIRLTBKPTZMIL-VQIMIIECSA-N 2 2 377.489 0.200 20 0 GCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000685825899 1187630234 /nfs/dbraw/zinc/63/02/34/1187630234.db2.gz MSIRLTBKPTZMIL-VQIMIIECSA-N 2 2 377.489 0.200 20 0 GCADLP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000685825899 1187630236 /nfs/dbraw/zinc/63/02/36/1187630236.db2.gz MSIRLTBKPTZMIL-VQIMIIECSA-N 2 2 377.489 0.200 20 0 GCADLP CC[NH+](CC)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000613012064 1187635639 /nfs/dbraw/zinc/63/56/39/1187635639.db2.gz LASXEKJMSWNFPQ-RDJZCZTQSA-N 2 2 382.530 0.803 20 0 GCADLP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000613012362 1187636034 /nfs/dbraw/zinc/63/60/34/1187636034.db2.gz OXSZJXNWZMZXSR-ARFHVFGLSA-N 2 2 382.530 0.881 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)n[nH]2)CC[N@H+]1C ZINC000613225781 1187700998 /nfs/dbraw/zinc/70/09/98/1187700998.db2.gz JESTUEFXFAXMDW-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)n[nH]2)CC[N@@H+]1C ZINC000613225781 1187701000 /nfs/dbraw/zinc/70/10/00/1187701000.db2.gz JESTUEFXFAXMDW-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)n[nH]2)CC[NH+]1C ZINC000613225781 1187701002 /nfs/dbraw/zinc/70/10/02/1187701002.db2.gz JESTUEFXFAXMDW-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)n[nH]2)CC[NH+]1C ZINC000613225781 1187701003 /nfs/dbraw/zinc/70/10/03/1187701003.db2.gz JESTUEFXFAXMDW-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)[nH]n2)CC[NH+]1C ZINC000613225781 1187701006 /nfs/dbraw/zinc/70/10/06/1187701006.db2.gz JESTUEFXFAXMDW-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)[nH]n2)CC[NH+]1C ZINC000613225781 1187701007 /nfs/dbraw/zinc/70/10/07/1187701007.db2.gz JESTUEFXFAXMDW-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)[nH]n2)CC[N@@H+]1C ZINC000613225781 1187701009 /nfs/dbraw/zinc/70/10/09/1187701009.db2.gz JESTUEFXFAXMDW-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)[nH]n2)CC[N@H+]1C ZINC000613225781 1187701011 /nfs/dbraw/zinc/70/10/11/1187701011.db2.gz JESTUEFXFAXMDW-XGUBFFRZSA-N 2 2 376.505 0.739 20 0 GCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376322273 1187762195 /nfs/dbraw/zinc/76/21/95/1187762195.db2.gz MBZRYVAVALADGO-RDJZCZTQSA-N 2 2 381.521 0.044 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000066651939 1187780564 /nfs/dbraw/zinc/78/05/64/1187780564.db2.gz SAPDDLKSNAWEOK-UHFFFAOYSA-N 2 2 377.518 0.955 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000066651939 1187780566 /nfs/dbraw/zinc/78/05/66/1187780566.db2.gz SAPDDLKSNAWEOK-UHFFFAOYSA-N 2 2 377.518 0.955 20 0 GCADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000376350832 1187783688 /nfs/dbraw/zinc/78/36/88/1187783688.db2.gz LQFVEALLGBDQIL-DOTOQJQBSA-N 2 2 386.562 0.764 20 0 GCADLP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000332880248 1187801467 /nfs/dbraw/zinc/80/14/67/1187801467.db2.gz CLFCSDMMBJOZME-GBESFXJTSA-N 2 2 380.533 0.870 20 0 GCADLP CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1OC ZINC000892595572 1187804537 /nfs/dbraw/zinc/80/45/37/1187804537.db2.gz VXTWZIQSMAXHNY-JFIYKMOQSA-N 2 2 398.529 0.315 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H](C)O1 ZINC000658944874 1187805930 /nfs/dbraw/zinc/80/59/30/1187805930.db2.gz PKSUECJMFVJXHD-HCXYKTFWSA-N 2 2 390.528 0.559 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H](C)O1 ZINC000658944874 1187805936 /nfs/dbraw/zinc/80/59/36/1187805936.db2.gz PKSUECJMFVJXHD-HCXYKTFWSA-N 2 2 390.528 0.559 20 0 GCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658944961 1187806889 /nfs/dbraw/zinc/80/68/89/1187806889.db2.gz XASFPSIFWOYYOW-AEFFLSMTSA-N 2 2 380.533 0.498 20 0 GCADLP CC(C)Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376401432 1187815986 /nfs/dbraw/zinc/81/59/86/1187815986.db2.gz BHEISCXXIVYJQL-GOEBONIOSA-N 2 2 375.521 0.393 20 0 GCADLP CC(C)Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376401432 1187815992 /nfs/dbraw/zinc/81/59/92/1187815992.db2.gz BHEISCXXIVYJQL-GOEBONIOSA-N 2 2 375.521 0.393 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)c1 ZINC000892609478 1187825989 /nfs/dbraw/zinc/82/59/89/1187825989.db2.gz QEEMRACWSFMOSS-OALUTQOASA-N 2 2 375.517 0.480 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)c1 ZINC000892609478 1187825995 /nfs/dbraw/zinc/82/59/95/1187825995.db2.gz QEEMRACWSFMOSS-OALUTQOASA-N 2 2 375.517 0.480 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)cc1 ZINC000892610252 1187826560 /nfs/dbraw/zinc/82/65/60/1187826560.db2.gz AXDNCAMEAYUPMQ-RBUKOAKNSA-N 2 2 375.517 0.480 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)cc1 ZINC000892610252 1187826561 /nfs/dbraw/zinc/82/65/61/1187826561.db2.gz AXDNCAMEAYUPMQ-RBUKOAKNSA-N 2 2 375.517 0.480 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)cc1 ZINC000892610251 1187826694 /nfs/dbraw/zinc/82/66/94/1187826694.db2.gz AXDNCAMEAYUPMQ-OALUTQOASA-N 2 2 375.517 0.480 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)cc1 ZINC000892610251 1187826699 /nfs/dbraw/zinc/82/66/99/1187826699.db2.gz AXDNCAMEAYUPMQ-OALUTQOASA-N 2 2 375.517 0.480 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000892611207 1187827535 /nfs/dbraw/zinc/82/75/35/1187827535.db2.gz LAGYXJLHHRQLPV-QXAKKESOSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000892611207 1187827540 /nfs/dbraw/zinc/82/75/40/1187827540.db2.gz LAGYXJLHHRQLPV-QXAKKESOSA-N 2 2 376.501 0.953 20 0 GCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000659096453 1187877715 /nfs/dbraw/zinc/87/77/15/1187877715.db2.gz ASPVMYBIXHDFTA-UHFFFAOYSA-N 2 2 375.473 0.208 20 0 GCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000659114046 1187890033 /nfs/dbraw/zinc/89/00/33/1187890033.db2.gz RNYWBZDTSPWXTK-CQSZACIVSA-N 2 2 375.473 0.013 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000566479940 1187897366 /nfs/dbraw/zinc/89/73/66/1187897366.db2.gz DCTSRDAAMGTPGD-GPMSIDNRSA-N 2 2 382.468 0.926 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423498015 1187915515 /nfs/dbraw/zinc/91/55/15/1187915515.db2.gz AWZCDMCSUMUZDW-ROUUACIJSA-N 3 2 381.565 0.460 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423498015 1187915519 /nfs/dbraw/zinc/91/55/19/1187915519.db2.gz AWZCDMCSUMUZDW-ROUUACIJSA-N 3 2 381.565 0.460 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000659345073 1187945219 /nfs/dbraw/zinc/94/52/19/1187945219.db2.gz YCMVGLPCYCZOFT-DOTOQJQBSA-N 2 2 380.533 0.639 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000659345073 1187945220 /nfs/dbraw/zinc/94/52/20/1187945220.db2.gz YCMVGLPCYCZOFT-DOTOQJQBSA-N 2 2 380.533 0.639 20 0 GCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345103 1187945233 /nfs/dbraw/zinc/94/52/33/1187945233.db2.gz ZKYNLWOWIZWBFH-IBGZPJMESA-N 3 2 393.576 0.558 20 0 GCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345103 1187945235 /nfs/dbraw/zinc/94/52/35/1187945235.db2.gz ZKYNLWOWIZWBFH-IBGZPJMESA-N 3 2 393.576 0.558 20 0 GCADLP CO[C@@]1(C)CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345006 1187945546 /nfs/dbraw/zinc/94/55/46/1187945546.db2.gz PJFSAXBNUMQYOY-XLIONFOSSA-N 2 2 380.533 0.641 20 0 GCADLP CO[C@@]1(C)CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345006 1187945547 /nfs/dbraw/zinc/94/55/47/1187945547.db2.gz PJFSAXBNUMQYOY-XLIONFOSSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)C(=O)N1CCOC2(CCCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345030 1187945657 /nfs/dbraw/zinc/94/56/57/1187945657.db2.gz RWGXEWWSXROLIV-GOSISDBHSA-N 2 2 392.544 0.785 20 0 GCADLP CN(C(=O)C(=O)N1CCOC2(CCCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345030 1187945658 /nfs/dbraw/zinc/94/56/58/1187945658.db2.gz RWGXEWWSXROLIV-GOSISDBHSA-N 2 2 392.544 0.785 20 0 GCADLP CN(CC1(O)CCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344880 1187945943 /nfs/dbraw/zinc/94/59/43/1187945943.db2.gz NSMPBVGSKSVSRO-QGZVFWFLSA-N 2 2 380.533 0.377 20 0 GCADLP CN(CC1(O)CCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344880 1187945948 /nfs/dbraw/zinc/94/59/48/1187945948.db2.gz NSMPBVGSKSVSRO-QGZVFWFLSA-N 2 2 380.533 0.377 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344817 1187946232 /nfs/dbraw/zinc/94/62/32/1187946232.db2.gz LCUGUWWOFUFGAJ-ZWKOTPCHSA-N 2 2 380.533 0.497 20 0 GCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344817 1187946233 /nfs/dbraw/zinc/94/62/33/1187946233.db2.gz LCUGUWWOFUFGAJ-ZWKOTPCHSA-N 2 2 380.533 0.497 20 0 GCADLP CN(CC1(O)CCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344879 1187946354 /nfs/dbraw/zinc/94/63/54/1187946354.db2.gz NSMPBVGSKSVSRO-KRWDZBQOSA-N 2 2 380.533 0.377 20 0 GCADLP CN(CC1(O)CCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344879 1187946357 /nfs/dbraw/zinc/94/63/57/1187946357.db2.gz NSMPBVGSKSVSRO-KRWDZBQOSA-N 2 2 380.533 0.377 20 0 GCADLP CC[C@@]1(C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344774 1187946450 /nfs/dbraw/zinc/94/64/50/1187946450.db2.gz KJAYPCSQCXXYAC-PXNSSMCTSA-N 2 2 380.533 0.641 20 0 GCADLP CC[C@@]1(C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344774 1187946452 /nfs/dbraw/zinc/94/64/52/1187946452.db2.gz KJAYPCSQCXXYAC-PXNSSMCTSA-N 2 2 380.533 0.641 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000589240002 1187952920 /nfs/dbraw/zinc/95/29/20/1187952920.db2.gz WCNVNZBVCOFUSE-HOTGVXAUSA-N 2 2 396.532 0.319 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000589240002 1187952922 /nfs/dbraw/zinc/95/29/22/1187952922.db2.gz WCNVNZBVCOFUSE-HOTGVXAUSA-N 2 2 396.532 0.319 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000589240002 1187952923 /nfs/dbraw/zinc/95/29/23/1187952923.db2.gz WCNVNZBVCOFUSE-HOTGVXAUSA-N 2 2 396.532 0.319 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000589240002 1187952924 /nfs/dbraw/zinc/95/29/24/1187952924.db2.gz WCNVNZBVCOFUSE-HOTGVXAUSA-N 2 2 396.532 0.319 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000650974608 1187967930 /nfs/dbraw/zinc/96/79/30/1187967930.db2.gz RTAHBVFBJQCUQR-OALUTQOASA-N 2 2 398.548 0.354 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659590483 1187973997 /nfs/dbraw/zinc/97/39/97/1187973997.db2.gz LIMJHJVDNSOEEY-IPMKNSEASA-N 2 2 394.491 0.606 20 0 GCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000659684588 1187995815 /nfs/dbraw/zinc/99/58/15/1187995815.db2.gz HIDDLGVJMIAFMZ-UHFFFAOYSA-N 2 2 395.935 0.774 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(NC(=O)c3cc(C)on3)CC2)CC1 ZINC000377464838 1188028496 /nfs/dbraw/zinc/02/84/96/1188028496.db2.gz OTRLYVHQIRSGRW-OAHLLOKOSA-N 2 2 377.489 0.730 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415328623 1188039720 /nfs/dbraw/zinc/03/97/20/1188039720.db2.gz JKBHIHCSDYXEDN-SFHVURJKSA-N 2 2 387.528 0.878 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000415343855 1188057529 /nfs/dbraw/zinc/05/75/29/1188057529.db2.gz MEKKYLZPTXHJII-HNNXBMFYSA-N 2 2 387.484 0.110 20 0 GCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415456809 1188085528 /nfs/dbraw/zinc/08/55/28/1188085528.db2.gz WYHDWTUJJDXOEK-AEFFLSMTSA-N 2 2 387.528 0.958 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000415468949 1188087428 /nfs/dbraw/zinc/08/74/28/1188087428.db2.gz WJAGKXQCLRYNGY-LPHOPBHVSA-N 2 2 387.528 0.958 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCOC[C@@H]3C[C@H]3CCOC3)C2)CC1 ZINC000893024895 1188103159 /nfs/dbraw/zinc/10/31/59/1188103159.db2.gz WXPWBWMZMYBNRK-AOIWGVFYSA-N 2 2 380.533 0.992 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCOC[C@@H]3C[C@H]3CCOC3)C2)CC1 ZINC000893024895 1188103164 /nfs/dbraw/zinc/10/31/64/1188103164.db2.gz WXPWBWMZMYBNRK-AOIWGVFYSA-N 2 2 380.533 0.992 20 0 GCADLP Cn1nccc1[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000893024793 1188103334 /nfs/dbraw/zinc/10/33/34/1188103334.db2.gz VUYPQKOCWDFKHJ-QAPCUYQASA-N 2 2 376.505 0.672 20 0 GCADLP Cn1nccc1[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000893024793 1188103335 /nfs/dbraw/zinc/10/33/35/1188103335.db2.gz VUYPQKOCWDFKHJ-QAPCUYQASA-N 2 2 376.505 0.672 20 0 GCADLP Cn1nccc1[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000893024791 1188103405 /nfs/dbraw/zinc/10/34/05/1188103405.db2.gz VUYPQKOCWDFKHJ-MAUKXSAKSA-N 2 2 376.505 0.672 20 0 GCADLP Cn1nccc1[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000893024791 1188103406 /nfs/dbraw/zinc/10/34/06/1188103406.db2.gz VUYPQKOCWDFKHJ-MAUKXSAKSA-N 2 2 376.505 0.672 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000415574214 1188110176 /nfs/dbraw/zinc/11/01/76/1188110176.db2.gz CZZYAOZJBXNHNL-IHPCNDPISA-N 2 2 399.539 0.958 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415668658 1188137491 /nfs/dbraw/zinc/13/74/91/1188137491.db2.gz CZJYOGNFNBAJAK-HDICACEKSA-N 2 2 385.512 0.440 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415754436 1188158828 /nfs/dbraw/zinc/15/88/28/1188158828.db2.gz ZMLDPMDQOKVLRC-MSOLQXFVSA-N 2 2 385.512 0.440 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415778186 1188162769 /nfs/dbraw/zinc/16/27/69/1188162769.db2.gz JGAAUPVHAFMHBO-MJGOQNOKSA-N 2 2 385.512 0.583 20 0 GCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896739 1188165462 /nfs/dbraw/zinc/16/54/62/1188165462.db2.gz AHMBOIRVGQQREP-OALUTQOASA-N 2 2 393.576 0.604 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415860747 1189384747 /nfs/dbraw/zinc/38/47/47/1189384747.db2.gz VHCQHMLQRAPJPL-SFHVURJKSA-N 2 2 396.495 0.845 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000271095188 1189389362 /nfs/dbraw/zinc/38/93/62/1189389362.db2.gz IXTQEBDOHMJAFZ-SFHVURJKSA-N 2 2 388.512 0.415 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000106516945 1189432368 /nfs/dbraw/zinc/43/23/68/1189432368.db2.gz XQTJHEIKWQGPFH-GOSISDBHSA-N 2 2 381.565 0.957 20 0 GCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000106516944 1189432549 /nfs/dbraw/zinc/43/25/49/1189432549.db2.gz XQTJHEIKWQGPFH-SFHVURJKSA-N 2 2 381.565 0.957 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCCCN3CCCCCC3=O)C2)CC1 ZINC000107370523 1189457776 /nfs/dbraw/zinc/45/77/76/1189457776.db2.gz VFPDNVWVICTNSD-IBGZPJMESA-N 2 2 393.576 0.607 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCCCN3CCCCCC3=O)C2)CC1 ZINC000107370523 1189457780 /nfs/dbraw/zinc/45/77/80/1189457780.db2.gz VFPDNVWVICTNSD-IBGZPJMESA-N 2 2 393.576 0.607 20 0 GCADLP C[NH+]1CCC2(CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000378334435 1189480959 /nfs/dbraw/zinc/48/09/59/1189480959.db2.gz MFOYNFFJFCIHJY-KRWDZBQOSA-N 2 2 378.517 0.254 20 0 GCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC(=O)NCc1cccs1 ZINC000378434997 1189506281 /nfs/dbraw/zinc/50/62/81/1189506281.db2.gz WLCOQAJYNBYSBK-UHFFFAOYSA-N 2 2 396.513 0.233 20 0 GCADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000378442887 1189508755 /nfs/dbraw/zinc/50/87/55/1189508755.db2.gz LIFDEKKLEWQAGF-BRWVUGGUSA-N 2 2 396.532 0.955 20 0 GCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CCC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000659993246 1189513917 /nfs/dbraw/zinc/51/39/17/1189513917.db2.gz NQKHQAICDDIIRP-RBUKOAKNSA-N 2 2 387.590 0.927 20 0 GCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CCC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000659993246 1189513920 /nfs/dbraw/zinc/51/39/20/1189513920.db2.gz NQKHQAICDDIIRP-RBUKOAKNSA-N 2 2 387.590 0.927 20 0 GCADLP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCC[NH+]1C ZINC000569905164 1189557691 /nfs/dbraw/zinc/55/76/91/1189557691.db2.gz OZGHIVHWKIHMRX-IMBTUZDBSA-N 2 2 390.532 0.965 20 0 GCADLP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCC[NH+]1C ZINC000569905164 1189557697 /nfs/dbraw/zinc/55/76/97/1189557697.db2.gz OZGHIVHWKIHMRX-IMBTUZDBSA-N 2 2 390.532 0.965 20 0 GCADLP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CCC[N@@H+]1C ZINC000569905164 1189557703 /nfs/dbraw/zinc/55/77/03/1189557703.db2.gz OZGHIVHWKIHMRX-IMBTUZDBSA-N 2 2 390.532 0.965 20 0 GCADLP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CCC[N@H+]1C ZINC000569905164 1189557707 /nfs/dbraw/zinc/55/77/07/1189557707.db2.gz OZGHIVHWKIHMRX-IMBTUZDBSA-N 2 2 390.532 0.965 20 0 GCADLP COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000363908178 1189567982 /nfs/dbraw/zinc/56/79/82/1189567982.db2.gz FAUSYVGJAWHRLX-HNNXBMFYSA-N 2 2 390.484 0.927 20 0 GCADLP COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000363908178 1189567986 /nfs/dbraw/zinc/56/79/86/1189567986.db2.gz FAUSYVGJAWHRLX-HNNXBMFYSA-N 2 2 390.484 0.927 20 0 GCADLP COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000363908696 1189568754 /nfs/dbraw/zinc/56/87/54/1189568754.db2.gz HYQMEYTYZMGZEW-AWEZNQCLSA-N 2 2 390.484 0.927 20 0 GCADLP COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000363908696 1189568756 /nfs/dbraw/zinc/56/87/56/1189568756.db2.gz HYQMEYTYZMGZEW-AWEZNQCLSA-N 2 2 390.484 0.927 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)C2)CC1 ZINC000363912642 1189571792 /nfs/dbraw/zinc/57/17/92/1189571792.db2.gz UOQQNMRZOSFPBI-MRXNPFEDSA-N 2 2 397.483 0.491 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)C2)CC1 ZINC000363912642 1189571795 /nfs/dbraw/zinc/57/17/95/1189571795.db2.gz UOQQNMRZOSFPBI-MRXNPFEDSA-N 2 2 397.483 0.491 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000571878343 1189590075 /nfs/dbraw/zinc/59/00/75/1189590075.db2.gz VJZULWDZPFVFGU-INIZCTEOSA-N 2 2 379.468 0.972 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511592784 1189601158 /nfs/dbraw/zinc/60/11/58/1189601158.db2.gz HPUYZTHUUWRMRC-HOTGVXAUSA-N 2 2 395.529 0.119 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511592784 1189601160 /nfs/dbraw/zinc/60/11/60/1189601160.db2.gz HPUYZTHUUWRMRC-HOTGVXAUSA-N 2 2 395.529 0.119 20 0 GCADLP [NH3+]CCN(Cc1ccccc1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417150561 1189625298 /nfs/dbraw/zinc/62/52/98/1189625298.db2.gz FQGMXBQSKIIPON-UHFFFAOYSA-N 2 2 383.500 0.769 20 0 GCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000563062456 1189630413 /nfs/dbraw/zinc/63/04/13/1189630413.db2.gz YRNMVCMNHNBJNZ-HZPDHXFCSA-N 2 2 395.529 0.038 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584711418 1189635886 /nfs/dbraw/zinc/63/58/86/1189635886.db2.gz NTLUPALXGWVFSU-KURKYZTESA-N 2 2 380.533 0.737 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584711418 1189635890 /nfs/dbraw/zinc/63/58/90/1189635890.db2.gz NTLUPALXGWVFSU-KURKYZTESA-N 2 2 380.533 0.737 20 0 GCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417293237 1189642147 /nfs/dbraw/zinc/64/21/47/1189642147.db2.gz FIPQKWHKZBSILJ-SFHVURJKSA-N 2 2 391.516 0.100 20 0 GCADLP [NH3+]C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000417297457 1189643127 /nfs/dbraw/zinc/64/31/27/1189643127.db2.gz OBVPZKXHDMKIOE-SFHVURJKSA-N 2 2 378.473 0.267 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCCO1 ZINC000417319401 1189645999 /nfs/dbraw/zinc/64/59/99/1189645999.db2.gz NJWZQLYRRVZHDX-GOSISDBHSA-N 2 2 392.500 0.657 20 0 GCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCO1 ZINC000417320763 1189646907 /nfs/dbraw/zinc/64/69/07/1189646907.db2.gz RGJDBBXNJZGNJZ-QGZVFWFLSA-N 2 2 378.473 0.185 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccnn2C)nn1 ZINC000417342538 1189650366 /nfs/dbraw/zinc/65/03/66/1189650366.db2.gz PGKCWEMLMRESON-UHFFFAOYSA-N 2 2 386.504 1.367 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccnn2C)nn1 ZINC000417342538 1189650370 /nfs/dbraw/zinc/65/03/70/1189650370.db2.gz PGKCWEMLMRESON-UHFFFAOYSA-N 2 2 386.504 1.367 20 0 GCADLP CCCN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[NH2+]C1 ZINC000417371200 1189654522 /nfs/dbraw/zinc/65/45/22/1189654522.db2.gz VDHKMBIUMXOOKZ-KRWDZBQOSA-N 2 2 388.516 0.904 20 0 GCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000925601086 1189657379 /nfs/dbraw/zinc/65/73/79/1189657379.db2.gz JKTMGJLBHSAACP-KRWDZBQOSA-N 2 2 383.537 0.389 20 0 GCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000584768641 1189657728 /nfs/dbraw/zinc/65/77/28/1189657728.db2.gz QZFNLXJDDHGKFJ-IRXDYDNUSA-N 2 2 382.549 0.933 20 0 GCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000584768641 1189657733 /nfs/dbraw/zinc/65/77/33/1189657733.db2.gz QZFNLXJDDHGKFJ-IRXDYDNUSA-N 2 2 382.549 0.933 20 0 GCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000417409919 1189658771 /nfs/dbraw/zinc/65/87/71/1189658771.db2.gz AMDXWNWLJBFMBK-ZDUSSCGKSA-N 2 2 381.443 0.233 20 0 GCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000417409919 1189658773 /nfs/dbraw/zinc/65/87/73/1189658773.db2.gz AMDXWNWLJBFMBK-ZDUSSCGKSA-N 2 2 381.443 0.233 20 0 GCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+](C2CC2)C1 ZINC000582106788 1189666437 /nfs/dbraw/zinc/66/64/37/1189666437.db2.gz QCFGSXUGWBRDRF-QGZVFWFLSA-N 2 2 387.532 0.724 20 0 GCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+](C2CC2)C1 ZINC000582106788 1189666439 /nfs/dbraw/zinc/66/64/39/1189666439.db2.gz QCFGSXUGWBRDRF-QGZVFWFLSA-N 2 2 387.532 0.724 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCC[NH3+])cc2)CC1 ZINC000417472223 1189670560 /nfs/dbraw/zinc/67/05/60/1189670560.db2.gz WJPSIBQZMVERIP-UHFFFAOYSA-N 2 2 377.489 0.030 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC000584826982 1189681586 /nfs/dbraw/zinc/68/15/86/1189681586.db2.gz QKKKBEIFZXNUND-IXDOHACOSA-N 2 2 382.505 0.376 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@@H+](C)C1 ZINC000584826982 1189681588 /nfs/dbraw/zinc/68/15/88/1189681588.db2.gz QKKKBEIFZXNUND-IXDOHACOSA-N 2 2 382.505 0.376 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604695 1189688338 /nfs/dbraw/zinc/68/83/38/1189688338.db2.gz VDHPTYZLZDGLFX-RBUKOAKNSA-N 2 2 375.517 0.133 20 0 GCADLP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604088 1189688357 /nfs/dbraw/zinc/68/83/57/1189688357.db2.gz TXCIRVBMAJGMMB-RBUKOAKNSA-N 2 2 376.501 0.608 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417616236 1189689974 /nfs/dbraw/zinc/68/99/74/1189689974.db2.gz DQWITKPNOHPXDU-HOTGVXAUSA-N 2 2 391.520 0.565 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417616236 1189689982 /nfs/dbraw/zinc/68/99/82/1189689982.db2.gz DQWITKPNOHPXDU-HOTGVXAUSA-N 2 2 391.520 0.565 20 0 GCADLP O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417613641 1189691031 /nfs/dbraw/zinc/69/10/31/1189691031.db2.gz AAFCOGOPWAZLFJ-CVEARBPZSA-N 2 2 389.504 0.333 20 0 GCADLP O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417613641 1189691036 /nfs/dbraw/zinc/69/10/36/1189691036.db2.gz AAFCOGOPWAZLFJ-CVEARBPZSA-N 2 2 389.504 0.333 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417615286 1189691184 /nfs/dbraw/zinc/69/11/84/1189691184.db2.gz CJWGAWNYKBSCDA-HZPDHXFCSA-N 2 2 391.520 0.437 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417615286 1189691187 /nfs/dbraw/zinc/69/11/87/1189691187.db2.gz CJWGAWNYKBSCDA-HZPDHXFCSA-N 2 2 391.520 0.437 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417615288 1189691836 /nfs/dbraw/zinc/69/18/36/1189691836.db2.gz CJWGAWNYKBSCDA-JKSUJKDBSA-N 2 2 391.520 0.437 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417615288 1189691840 /nfs/dbraw/zinc/69/18/40/1189691840.db2.gz CJWGAWNYKBSCDA-JKSUJKDBSA-N 2 2 391.520 0.437 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000584853031 1189693291 /nfs/dbraw/zinc/69/32/91/1189693291.db2.gz LFSXUBGVBQSJLK-QZTJIDSGSA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000584853031 1189693292 /nfs/dbraw/zinc/69/32/92/1189693292.db2.gz LFSXUBGVBQSJLK-QZTJIDSGSA-N 2 2 382.549 0.696 20 0 GCADLP CN1CC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000636535468 1189712420 /nfs/dbraw/zinc/71/24/20/1189712420.db2.gz DEHRXRNAJDJADM-LJQANCHMSA-N 2 2 375.517 0.300 20 0 GCADLP CN1CC[NH+](Cc2ccc(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000636535468 1189712426 /nfs/dbraw/zinc/71/24/26/1189712426.db2.gz DEHRXRNAJDJADM-LJQANCHMSA-N 2 2 375.517 0.300 20 0 GCADLP CC[N@H+](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)CCC(F)(F)F ZINC000418075488 1189718785 /nfs/dbraw/zinc/71/87/85/1189718785.db2.gz GYUFJMLSDMAYDS-AWEZNQCLSA-N 2 2 393.454 0.867 20 0 GCADLP CC[N@@H+](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)CCC(F)(F)F ZINC000418075488 1189718789 /nfs/dbraw/zinc/71/87/89/1189718789.db2.gz GYUFJMLSDMAYDS-AWEZNQCLSA-N 2 2 393.454 0.867 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418361202 1189767591 /nfs/dbraw/zinc/76/75/91/1189767591.db2.gz CCLSLUFTLCPYLL-HNNXBMFYSA-N 2 2 377.493 0.000 20 0 GCADLP C[NH2+]C[C@H](C)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418361202 1189767596 /nfs/dbraw/zinc/76/75/96/1189767596.db2.gz CCLSLUFTLCPYLL-HNNXBMFYSA-N 2 2 377.493 0.000 20 0 GCADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000893354687 1189775463 /nfs/dbraw/zinc/77/54/63/1189775463.db2.gz POZCCXBHQHAVHU-IXDOHACOSA-N 2 2 396.532 0.812 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418410822 1189779843 /nfs/dbraw/zinc/77/98/43/1189779843.db2.gz CYYPJSFGNDFONI-MRXNPFEDSA-N 2 2 391.520 0.518 20 0 GCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418410822 1189779850 /nfs/dbraw/zinc/77/98/50/1189779850.db2.gz CYYPJSFGNDFONI-MRXNPFEDSA-N 2 2 391.520 0.518 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418452701 1189789455 /nfs/dbraw/zinc/78/94/55/1189789455.db2.gz XXNREBNYLFCOEM-INIZCTEOSA-N 2 2 391.520 0.662 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418452701 1189789461 /nfs/dbraw/zinc/78/94/61/1189789461.db2.gz XXNREBNYLFCOEM-INIZCTEOSA-N 2 2 391.520 0.662 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000431977338 1189790538 /nfs/dbraw/zinc/79/05/38/1189790538.db2.gz LQMJPTARHGJWMG-UHFFFAOYSA-N 2 2 389.500 0.965 20 0 GCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000364453056 1189808344 /nfs/dbraw/zinc/80/83/44/1189808344.db2.gz ADVQHJQLKYZNMW-WMZOPIPTSA-N 2 2 396.557 0.652 20 0 GCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000364453055 1189808633 /nfs/dbraw/zinc/80/86/33/1189808633.db2.gz ADVQHJQLKYZNMW-SJLPKXTDSA-N 2 2 396.557 0.652 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000660542720 1189895208 /nfs/dbraw/zinc/89/52/08/1189895208.db2.gz GTUKUXRJNNRCQM-RCCFBDPRSA-N 2 2 378.517 0.252 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000660542720 1189895216 /nfs/dbraw/zinc/89/52/16/1189895216.db2.gz GTUKUXRJNNRCQM-RCCFBDPRSA-N 2 2 378.517 0.252 20 0 GCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660632582 1189918498 /nfs/dbraw/zinc/91/84/98/1189918498.db2.gz PDNPBFRYEVLYDV-GOSISDBHSA-N 2 2 380.533 0.644 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660711770 1189939393 /nfs/dbraw/zinc/93/93/93/1189939393.db2.gz GSBJRGUYBFWSQZ-MJGOQNOKSA-N 3 2 379.549 0.707 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660711770 1189939397 /nfs/dbraw/zinc/93/93/97/1189939397.db2.gz GSBJRGUYBFWSQZ-MJGOQNOKSA-N 3 2 379.549 0.707 20 0 GCADLP CN(C(=O)C(=O)N1CCOCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661065999 1189986405 /nfs/dbraw/zinc/98/64/05/1189986405.db2.gz VHUGPJWIHBGTJC-MSOLQXFVSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)C(=O)N1CCOCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661065999 1189986408 /nfs/dbraw/zinc/98/64/08/1189986408.db2.gz VHUGPJWIHBGTJC-MSOLQXFVSA-N 2 2 380.533 0.641 20 0 GCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178172 1190008924 /nfs/dbraw/zinc/00/89/24/1190008924.db2.gz CXSJTBASEDDZAZ-OKZBNKHCSA-N 2 2 375.469 0.043 20 0 GCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178172 1190008929 /nfs/dbraw/zinc/00/89/29/1190008929.db2.gz CXSJTBASEDDZAZ-OKZBNKHCSA-N 2 2 375.469 0.043 20 0 GCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178172 1190008934 /nfs/dbraw/zinc/00/89/34/1190008934.db2.gz CXSJTBASEDDZAZ-OKZBNKHCSA-N 2 2 375.469 0.043 20 0 GCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178172 1190008936 /nfs/dbraw/zinc/00/89/36/1190008936.db2.gz CXSJTBASEDDZAZ-OKZBNKHCSA-N 2 2 375.469 0.043 20 0 GCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662789471 1190030388 /nfs/dbraw/zinc/03/03/88/1190030388.db2.gz BTPKGHNTYQDWDP-MAUKXSAKSA-N 2 2 388.516 0.786 20 0 GCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662789471 1190030393 /nfs/dbraw/zinc/03/03/93/1190030393.db2.gz BTPKGHNTYQDWDP-MAUKXSAKSA-N 2 2 388.516 0.786 20 0 GCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662846539 1190051992 /nfs/dbraw/zinc/05/19/92/1190051992.db2.gz RBLVIEQRTWMDEV-RTBURBONSA-N 2 2 392.544 0.405 20 0 GCADLP O=C(C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)NC1CC[NH+](C2CC2)CC1 ZINC000067117670 1190063125 /nfs/dbraw/zinc/06/31/25/1190063125.db2.gz XXFMLDDFEAJBKZ-KRWDZBQOSA-N 2 2 380.558 0.769 20 0 GCADLP O=C(C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1)NC1CC[NH+](C2CC2)CC1 ZINC000067117670 1190063130 /nfs/dbraw/zinc/06/31/30/1190063130.db2.gz XXFMLDDFEAJBKZ-KRWDZBQOSA-N 2 2 380.558 0.769 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000512666758 1193729990 /nfs/dbraw/zinc/72/99/90/1193729990.db2.gz MBMGQTNCEWQYEZ-IRXDYDNUSA-N 2 2 388.578 0.869 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000512666758 1193729996 /nfs/dbraw/zinc/72/99/96/1193729996.db2.gz MBMGQTNCEWQYEZ-IRXDYDNUSA-N 2 2 388.578 0.869 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247292768 1193735751 /nfs/dbraw/zinc/73/57/51/1193735751.db2.gz HLZWIKCZXLSSBB-CRAIPNDOSA-N 2 2 385.468 0.947 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247292768 1193735757 /nfs/dbraw/zinc/73/57/57/1193735757.db2.gz HLZWIKCZXLSSBB-CRAIPNDOSA-N 2 2 385.468 0.947 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)CC2 ZINC000419234392 1193744321 /nfs/dbraw/zinc/74/43/21/1193744321.db2.gz LWXZJIBLGQGEAJ-MRXNPFEDSA-N 2 2 390.484 0.046 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)CC2 ZINC000419234392 1193744323 /nfs/dbraw/zinc/74/43/23/1193744323.db2.gz LWXZJIBLGQGEAJ-MRXNPFEDSA-N 2 2 390.484 0.046 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N[C@H](C)CC[NH3+])CC2 ZINC000419239681 1193753082 /nfs/dbraw/zinc/75/30/82/1193753082.db2.gz QMGCQZXJYLNGQY-CYBMUJFWSA-N 2 2 378.473 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N[C@H](C)CC[NH3+])CC2 ZINC000419239681 1193753088 /nfs/dbraw/zinc/75/30/88/1193753088.db2.gz QMGCQZXJYLNGQY-CYBMUJFWSA-N 2 2 378.473 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])CC2 ZINC000419245428 1193757853 /nfs/dbraw/zinc/75/78/53/1193757853.db2.gz VTWLGSJFYLEHSE-UHFFFAOYSA-N 2 2 378.473 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])CC2 ZINC000419245428 1193757855 /nfs/dbraw/zinc/75/78/55/1193757855.db2.gz VTWLGSJFYLEHSE-UHFFFAOYSA-N 2 2 378.473 0.032 20 0 GCADLP CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000433153089 1193767288 /nfs/dbraw/zinc/76/72/88/1193767288.db2.gz OFQGHRVLCUOVHR-GOSISDBHSA-N 2 2 385.549 0.855 20 0 GCADLP CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000433153089 1193767291 /nfs/dbraw/zinc/76/72/91/1193767291.db2.gz OFQGHRVLCUOVHR-GOSISDBHSA-N 2 2 385.549 0.855 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)CO1 ZINC000664051742 1193775345 /nfs/dbraw/zinc/77/53/45/1193775345.db2.gz QWSWPEVEBZPZLQ-HZPDHXFCSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)CO1 ZINC000664051742 1193775346 /nfs/dbraw/zinc/77/53/46/1193775346.db2.gz QWSWPEVEBZPZLQ-HZPDHXFCSA-N 2 2 383.537 0.338 20 0 GCADLP CNC(=O)NC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000412052045 1193803204 /nfs/dbraw/zinc/80/32/04/1193803204.db2.gz BNVOGPLIIKPQLK-UHFFFAOYSA-N 2 2 395.548 0.531 20 0 GCADLP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000333138445 1193817979 /nfs/dbraw/zinc/81/79/79/1193817979.db2.gz BZBCTXOVISKYOX-OTWHNJEPSA-N 3 2 381.565 0.953 20 0 GCADLP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000333138445 1193817985 /nfs/dbraw/zinc/81/79/85/1193817985.db2.gz BZBCTXOVISKYOX-OTWHNJEPSA-N 3 2 381.565 0.953 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)c2)CC1 ZINC000129135682 1193873719 /nfs/dbraw/zinc/87/37/19/1193873719.db2.gz PBYXJYGLACAWPD-UHFFFAOYSA-N 2 2 387.528 0.831 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000419381601 1193883897 /nfs/dbraw/zinc/88/38/97/1193883897.db2.gz CNGIRARHQGUFIT-IKGGRYGDSA-N 2 2 394.903 0.648 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000419381601 1193883900 /nfs/dbraw/zinc/88/39/00/1193883900.db2.gz CNGIRARHQGUFIT-IKGGRYGDSA-N 2 2 394.903 0.648 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000419381603 1193884059 /nfs/dbraw/zinc/88/40/59/1193884059.db2.gz CNGIRARHQGUFIT-IXDOHACOSA-N 2 2 394.903 0.648 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000419381603 1193884063 /nfs/dbraw/zinc/88/40/63/1193884063.db2.gz CNGIRARHQGUFIT-IXDOHACOSA-N 2 2 394.903 0.648 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382609 1193888692 /nfs/dbraw/zinc/88/86/92/1193888692.db2.gz DPLXJEFSBKJXIN-ZACQAIPSSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382609 1193888699 /nfs/dbraw/zinc/88/86/99/1193888699.db2.gz DPLXJEFSBKJXIN-ZACQAIPSSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382606 1193888855 /nfs/dbraw/zinc/88/88/55/1193888855.db2.gz DPLXJEFSBKJXIN-IXDOHACOSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382606 1193888858 /nfs/dbraw/zinc/88/88/58/1193888858.db2.gz DPLXJEFSBKJXIN-IXDOHACOSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382608 1193889130 /nfs/dbraw/zinc/88/91/30/1193889130.db2.gz DPLXJEFSBKJXIN-YESZJQIVSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419382608 1193889134 /nfs/dbraw/zinc/88/91/34/1193889134.db2.gz DPLXJEFSBKJXIN-YESZJQIVSA-N 2 2 394.903 0.696 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419383767 1193890364 /nfs/dbraw/zinc/89/03/64/1193890364.db2.gz FPCLZLDXILJSEI-IXDOHACOSA-N 2 2 396.919 0.927 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419383767 1193890371 /nfs/dbraw/zinc/89/03/71/1193890371.db2.gz FPCLZLDXILJSEI-IXDOHACOSA-N 2 2 396.919 0.927 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385163 1193894448 /nfs/dbraw/zinc/89/44/48/1193894448.db2.gz HJASHRYLPJDFOP-HRCADAONSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385163 1193894458 /nfs/dbraw/zinc/89/44/58/1193894458.db2.gz HJASHRYLPJDFOP-HRCADAONSA-N 2 2 380.876 0.388 20 0 GCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419392770 1193917976 /nfs/dbraw/zinc/91/79/76/1193917976.db2.gz PAMOPAGTKVKCCT-DAXOMENPSA-N 2 2 382.892 0.634 20 0 GCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419392770 1193917978 /nfs/dbraw/zinc/91/79/78/1193917978.db2.gz PAMOPAGTKVKCCT-DAXOMENPSA-N 2 2 382.892 0.634 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000419392477 1193919029 /nfs/dbraw/zinc/91/90/29/1193919029.db2.gz OJFIGDFHODZROZ-YESZJQIVSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000419392477 1193919030 /nfs/dbraw/zinc/91/90/30/1193919030.db2.gz OJFIGDFHODZROZ-YESZJQIVSA-N 2 2 394.903 0.696 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419392545 1193919506 /nfs/dbraw/zinc/91/95/06/1193919506.db2.gz OMPHVLJHRVXEMV-XOKHGSTOSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419392545 1193919508 /nfs/dbraw/zinc/91/95/08/1193919508.db2.gz OMPHVLJHRVXEMV-XOKHGSTOSA-N 2 2 394.903 0.648 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1c1ccccc1 ZINC000261621728 1193921801 /nfs/dbraw/zinc/92/18/01/1193921801.db2.gz DAQYIQNQIJEXRD-CEXWTWQISA-N 2 2 386.496 0.120 20 0 GCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000261640649 1193922068 /nfs/dbraw/zinc/92/20/68/1193922068.db2.gz CDHPUXXRIQKAOD-LJQANCHMSA-N 2 2 382.512 0.954 20 0 GCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000261826656 1193928197 /nfs/dbraw/zinc/92/81/97/1193928197.db2.gz YPLRHCMUCJMESU-LJQANCHMSA-N 2 2 382.512 0.954 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000419394046 1193930440 /nfs/dbraw/zinc/93/04/40/1193930440.db2.gz RKNBJVZKBRHLDV-HOTGVXAUSA-N 2 2 382.892 0.683 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000419394046 1193930442 /nfs/dbraw/zinc/93/04/42/1193930442.db2.gz RKNBJVZKBRHLDV-HOTGVXAUSA-N 2 2 382.892 0.683 20 0 GCADLP O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C[C@@H]2COCC[NH2+]2)ccc1F ZINC000262316415 1193944893 /nfs/dbraw/zinc/94/48/93/1193944893.db2.gz DKXOVIWMDFFOBN-OAHLLOKOSA-N 2 2 394.447 0.804 20 0 GCADLP COCC1(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC[NH2+]CC1 ZINC000262353795 1193945881 /nfs/dbraw/zinc/94/58/81/1193945881.db2.gz JAHZLKHPAJEPPH-SFHVURJKSA-N 2 2 391.512 0.587 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000262426884 1193947902 /nfs/dbraw/zinc/94/79/02/1193947902.db2.gz SIFIXHFPDLAVMA-NVXWUHKLSA-N 2 2 379.526 0.932 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000262426884 1193947903 /nfs/dbraw/zinc/94/79/03/1193947903.db2.gz SIFIXHFPDLAVMA-NVXWUHKLSA-N 2 2 379.526 0.932 20 0 GCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262478026 1193948834 /nfs/dbraw/zinc/94/88/34/1193948834.db2.gz ZCWFYSFLAUQTLL-OAHLLOKOSA-N 2 2 376.457 0.400 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419393906 1193952537 /nfs/dbraw/zinc/95/25/37/1193952537.db2.gz RBBQTAIEDPDWTQ-JQFCIGGWSA-N 2 2 394.903 0.635 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419393906 1193952539 /nfs/dbraw/zinc/95/25/39/1193952539.db2.gz RBBQTAIEDPDWTQ-JQFCIGGWSA-N 2 2 394.903 0.635 20 0 GCADLP CCCCN(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000647829721 1193954706 /nfs/dbraw/zinc/95/47/06/1193954706.db2.gz QRLVNZHRCNSSKP-AWEZNQCLSA-N 2 2 394.520 0.601 20 0 GCADLP CCCCN(C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000647829721 1193954708 /nfs/dbraw/zinc/95/47/08/1193954708.db2.gz QRLVNZHRCNSSKP-AWEZNQCLSA-N 2 2 394.520 0.601 20 0 GCADLP CCO[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000513477738 1193955323 /nfs/dbraw/zinc/95/53/23/1193955323.db2.gz UUGDHNKENLZISK-ROUUACIJSA-N 2 2 394.560 0.935 20 0 GCADLP CCO[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000513477738 1193955324 /nfs/dbraw/zinc/95/53/24/1193955324.db2.gz UUGDHNKENLZISK-ROUUACIJSA-N 2 2 394.560 0.935 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419396860 1193970893 /nfs/dbraw/zinc/97/08/93/1193970893.db2.gz WNQUBEAVDSMNHQ-OWCLPIDISA-N 2 2 380.876 0.306 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000419396860 1193970895 /nfs/dbraw/zinc/97/08/95/1193970895.db2.gz WNQUBEAVDSMNHQ-OWCLPIDISA-N 2 2 380.876 0.306 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421870 1194023203 /nfs/dbraw/zinc/02/32/03/1194023203.db2.gz WILCBQVMUMCOTJ-YTQUADARSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421870 1194023209 /nfs/dbraw/zinc/02/32/09/1194023209.db2.gz WILCBQVMUMCOTJ-YTQUADARSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421849 1194023533 /nfs/dbraw/zinc/02/35/33/1194023533.db2.gz WILCBQVMUMCOTJ-NZSAHSFTSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421849 1194023535 /nfs/dbraw/zinc/02/35/35/1194023535.db2.gz WILCBQVMUMCOTJ-NZSAHSFTSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411731 1194029990 /nfs/dbraw/zinc/02/99/90/1194029990.db2.gz IEVDYCJRAPMVHG-HZPDHXFCSA-N 2 2 398.454 0.492 20 0 GCADLP CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411731 1194029994 /nfs/dbraw/zinc/02/99/94/1194029994.db2.gz IEVDYCJRAPMVHG-HZPDHXFCSA-N 2 2 398.454 0.492 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419446501 1194036522 /nfs/dbraw/zinc/03/65/22/1194036522.db2.gz FVYBXDPSXXBAFH-KURKYZTESA-N 2 2 387.528 0.522 20 0 GCADLP CC1(C)CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419503567 1194046843 /nfs/dbraw/zinc/04/68/43/1194046843.db2.gz HRSNVHSOKITTSD-UHFFFAOYSA-N 2 2 391.491 0.274 20 0 GCADLP C[NH2+]CCCN(C)C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419507689 1194047740 /nfs/dbraw/zinc/04/77/40/1194047740.db2.gz PNJSTHAWRAGBSW-UHFFFAOYSA-N 2 2 379.480 0.132 20 0 GCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511882 1194050096 /nfs/dbraw/zinc/05/00/96/1194050096.db2.gz WJWQSZBTKPCQMP-KZNAEPCWSA-N 2 2 387.528 0.522 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000419512908 1194050990 /nfs/dbraw/zinc/05/09/90/1194050990.db2.gz YDHLRIQMBRYCGJ-YJBOKZPZSA-N 2 2 391.491 0.260 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513270 1194051460 /nfs/dbraw/zinc/05/14/60/1194051460.db2.gz YWQLNNDULUZDSM-KURKYZTESA-N 2 2 387.528 0.522 20 0 GCADLP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501096862 1194055403 /nfs/dbraw/zinc/05/54/03/1194055403.db2.gz JLLLTXLBILHTHK-SFHVURJKSA-N 2 2 375.513 0.893 20 0 GCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCCc1ccc(F)cc1 ZINC000501116647 1194062060 /nfs/dbraw/zinc/06/20/60/1194062060.db2.gz YVGDBWBXXHPKHK-UHFFFAOYSA-N 2 2 379.476 0.644 20 0 GCADLP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000501117556 1194062446 /nfs/dbraw/zinc/06/24/46/1194062446.db2.gz NBNQOAFRIHEKKY-KRWDZBQOSA-N 2 2 388.578 0.028 20 0 GCADLP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000501117556 1194062452 /nfs/dbraw/zinc/06/24/52/1194062452.db2.gz NBNQOAFRIHEKKY-KRWDZBQOSA-N 2 2 388.578 0.028 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419799794 1194105855 /nfs/dbraw/zinc/10/58/55/1194105855.db2.gz FPXGZOFMNYVTRY-UHFFFAOYSA-N 2 2 395.548 0.167 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419799794 1194105857 /nfs/dbraw/zinc/10/58/57/1194105857.db2.gz FPXGZOFMNYVTRY-UHFFFAOYSA-N 2 2 395.548 0.167 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419873220 1194128384 /nfs/dbraw/zinc/12/83/84/1194128384.db2.gz VCIHELHUJFJTJC-GUDVDZBRSA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419873220 1194128389 /nfs/dbraw/zinc/12/83/89/1194128389.db2.gz VCIHELHUJFJTJC-GUDVDZBRSA-N 3 2 393.576 0.636 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419908624 1194141490 /nfs/dbraw/zinc/14/14/90/1194141490.db2.gz IXIWEDTUADXROO-OALUTQOASA-N 3 2 395.592 0.898 20 0 GCADLP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419908624 1194141492 /nfs/dbraw/zinc/14/14/92/1194141492.db2.gz IXIWEDTUADXROO-OALUTQOASA-N 3 2 395.592 0.898 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)[C@H](C)C1 ZINC000419963283 1194148432 /nfs/dbraw/zinc/14/84/32/1194148432.db2.gz HRRBPEMSKCZJOL-ZBFHGGJFSA-N 2 2 382.505 0.106 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)[C@H](C)C1 ZINC000419963283 1194148436 /nfs/dbraw/zinc/14/84/36/1194148436.db2.gz HRRBPEMSKCZJOL-ZBFHGGJFSA-N 2 2 382.505 0.106 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419964230 1194148637 /nfs/dbraw/zinc/14/86/37/1194148637.db2.gz WZODVKCWBZBCON-BPQIPLTHSA-N 3 2 381.565 0.493 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419964230 1194148641 /nfs/dbraw/zinc/14/86/41/1194148641.db2.gz WZODVKCWBZBCON-BPQIPLTHSA-N 3 2 381.565 0.493 20 0 GCADLP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000501441512 1194154642 /nfs/dbraw/zinc/15/46/42/1194154642.db2.gz VWEBZYYOEYABCT-UHFFFAOYSA-N 2 2 398.467 0.416 20 0 GCADLP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000501441512 1194154645 /nfs/dbraw/zinc/15/46/45/1194154645.db2.gz VWEBZYYOEYABCT-UHFFFAOYSA-N 2 2 398.467 0.416 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420019557 1194163393 /nfs/dbraw/zinc/16/33/93/1194163393.db2.gz RFJGANLNJUXOHW-CEXWTWQISA-N 3 2 395.592 0.882 20 0 GCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420019557 1194163395 /nfs/dbraw/zinc/16/33/95/1194163395.db2.gz RFJGANLNJUXOHW-CEXWTWQISA-N 3 2 395.592 0.882 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420044516 1194167339 /nfs/dbraw/zinc/16/73/39/1194167339.db2.gz TZRSAPIRVMJXOB-BQFCYCMXSA-N 2 2 388.512 0.949 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420044516 1194167346 /nfs/dbraw/zinc/16/73/46/1194167346.db2.gz TZRSAPIRVMJXOB-BQFCYCMXSA-N 2 2 388.512 0.949 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000420049641 1194169618 /nfs/dbraw/zinc/16/96/18/1194169618.db2.gz ZITAQUVMANAJAI-MRXNPFEDSA-N 2 2 396.532 0.511 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000420049641 1194169619 /nfs/dbraw/zinc/16/96/19/1194169619.db2.gz ZITAQUVMANAJAI-MRXNPFEDSA-N 2 2 396.532 0.511 20 0 GCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000420177622 1194195671 /nfs/dbraw/zinc/19/56/71/1194195671.db2.gz SMFSYRPQWPCQEL-UHFFFAOYSA-N 2 2 384.427 0.440 20 0 GCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000420177622 1194195675 /nfs/dbraw/zinc/19/56/75/1194195675.db2.gz SMFSYRPQWPCQEL-UHFFFAOYSA-N 2 2 384.427 0.440 20 0 GCADLP COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000420352168 1194224166 /nfs/dbraw/zinc/22/41/66/1194224166.db2.gz YWNFETCENBQBRE-DZGCQCFKSA-N 2 2 378.498 0.620 20 0 GCADLP COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000420352168 1194224169 /nfs/dbraw/zinc/22/41/69/1194224169.db2.gz YWNFETCENBQBRE-DZGCQCFKSA-N 2 2 378.498 0.620 20 0 GCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420369569 1194224525 /nfs/dbraw/zinc/22/45/25/1194224525.db2.gz BTESTQXOUALLJU-WBVHZDCISA-N 2 2 393.488 0.754 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(=O)[nH]c1=O ZINC000420403195 1194228660 /nfs/dbraw/zinc/22/86/60/1194228660.db2.gz KUGGRPYAEQJZMY-KGLIPLIRSA-N 2 2 394.520 0.601 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(=O)[nH]c1=O ZINC000420403195 1194228663 /nfs/dbraw/zinc/22/86/63/1194228663.db2.gz KUGGRPYAEQJZMY-KGLIPLIRSA-N 2 2 394.520 0.601 20 0 GCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421001801 1194282800 /nfs/dbraw/zinc/28/28/00/1194282800.db2.gz GAYUROVQSOPUBB-UHFFFAOYSA-N 2 2 382.549 0.938 20 0 GCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421001801 1194282807 /nfs/dbraw/zinc/28/28/07/1194282807.db2.gz GAYUROVQSOPUBB-UHFFFAOYSA-N 2 2 382.549 0.938 20 0 GCADLP CCOC(=O)CCCNC(=O)CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421001801 1194282809 /nfs/dbraw/zinc/28/28/09/1194282809.db2.gz GAYUROVQSOPUBB-UHFFFAOYSA-N 2 2 382.549 0.938 20 0 GCADLP CCOC(=O)CCCNC(=O)CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421001801 1194282814 /nfs/dbraw/zinc/28/28/14/1194282814.db2.gz GAYUROVQSOPUBB-UHFFFAOYSA-N 2 2 382.549 0.938 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000421214980 1194305820 /nfs/dbraw/zinc/30/58/20/1194305820.db2.gz CRQLXYKBFVAIFH-QZTJIDSGSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000421214980 1194305823 /nfs/dbraw/zinc/30/58/23/1194305823.db2.gz CRQLXYKBFVAIFH-QZTJIDSGSA-N 2 2 382.549 0.698 20 0 GCADLP CN(C(=O)[C@H]1CC[C@H](C(N)=O)O1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502533802 1194330448 /nfs/dbraw/zinc/33/04/48/1194330448.db2.gz YTAGSXZLEUGKSY-XMTFNYHQSA-N 2 2 380.533 0.815 20 0 GCADLP CN(C(=O)[C@H]1CC[C@H](C(N)=O)O1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502533802 1194330454 /nfs/dbraw/zinc/33/04/54/1194330454.db2.gz YTAGSXZLEUGKSY-XMTFNYHQSA-N 2 2 380.533 0.815 20 0 GCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000422093054 1194389538 /nfs/dbraw/zinc/38/95/38/1194389538.db2.gz KXMRGAVJNKHBPY-SFHVURJKSA-N 2 2 390.528 0.804 20 0 GCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000422093054 1194389542 /nfs/dbraw/zinc/38/95/42/1194389542.db2.gz KXMRGAVJNKHBPY-SFHVURJKSA-N 2 2 390.528 0.804 20 0 GCADLP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422093054 1194389546 /nfs/dbraw/zinc/38/95/46/1194389546.db2.gz KXMRGAVJNKHBPY-SFHVURJKSA-N 2 2 390.528 0.804 20 0 GCADLP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422093054 1194389550 /nfs/dbraw/zinc/38/95/50/1194389550.db2.gz KXMRGAVJNKHBPY-SFHVURJKSA-N 2 2 390.528 0.804 20 0 GCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000272582864 1194475579 /nfs/dbraw/zinc/47/55/79/1194475579.db2.gz WKKJJIUHLGDFCL-UHFFFAOYSA-N 2 2 387.572 0.900 20 0 GCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000272582864 1194475581 /nfs/dbraw/zinc/47/55/81/1194475581.db2.gz WKKJJIUHLGDFCL-UHFFFAOYSA-N 2 2 387.572 0.900 20 0 GCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549958222 1194481920 /nfs/dbraw/zinc/48/19/20/1194481920.db2.gz ZTOBMTFZYDJGAV-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549958222 1194481924 /nfs/dbraw/zinc/48/19/24/1194481924.db2.gz ZTOBMTFZYDJGAV-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000434184001 1194543894 /nfs/dbraw/zinc/54/38/94/1194543894.db2.gz QONFCRNXOLJIQN-UHFFFAOYSA-N 2 2 399.580 0.129 20 0 GCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000434184001 1194543897 /nfs/dbraw/zinc/54/38/97/1194543897.db2.gz QONFCRNXOLJIQN-UHFFFAOYSA-N 2 2 399.580 0.129 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000503238459 1194595811 /nfs/dbraw/zinc/59/58/11/1194595811.db2.gz IQPFIZCOOBTGIX-GJZGRUSLSA-N 2 2 383.537 0.384 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000422321626 1194613690 /nfs/dbraw/zinc/61/36/90/1194613690.db2.gz XNTDBMSXUGAOCN-IEBWSBKVSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000422321626 1194613692 /nfs/dbraw/zinc/61/36/92/1194613692.db2.gz XNTDBMSXUGAOCN-IEBWSBKVSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000422321626 1194613696 /nfs/dbraw/zinc/61/36/96/1194613696.db2.gz XNTDBMSXUGAOCN-IEBWSBKVSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000422321626 1194613699 /nfs/dbraw/zinc/61/36/99/1194613699.db2.gz XNTDBMSXUGAOCN-IEBWSBKVSA-N 2 2 387.528 0.081 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000422590385 1194669499 /nfs/dbraw/zinc/66/94/99/1194669499.db2.gz OWYBWPSBCSOEAK-UHFFFAOYSA-N 2 2 389.500 0.327 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)[NH+]1CCOCC1 ZINC000414674203 1194676127 /nfs/dbraw/zinc/67/61/27/1194676127.db2.gz DGVVTISFJTYOFD-QGZVFWFLSA-N 2 2 392.500 0.826 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636616 1194679845 /nfs/dbraw/zinc/67/98/45/1194679845.db2.gz NFQNEDBTAXCGSO-ORIJERBGSA-N 2 2 394.541 0.917 20 0 GCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636616 1194679846 /nfs/dbraw/zinc/67/98/46/1194679846.db2.gz NFQNEDBTAXCGSO-ORIJERBGSA-N 2 2 394.541 0.917 20 0 GCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000422867404 1194704319 /nfs/dbraw/zinc/70/43/19/1194704319.db2.gz SCCIUXZNMQBDTN-LPHOPBHVSA-N 2 2 397.541 0.705 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)CC2)c1 ZINC000423009283 1194716890 /nfs/dbraw/zinc/71/68/90/1194716890.db2.gz CMOPDNWMRSOSRV-FQEVSTJZSA-N 2 2 399.539 0.145 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000503814122 1194718772 /nfs/dbraw/zinc/71/87/72/1194718772.db2.gz KIGXUPCQQGCLSH-BRWVUGGUSA-N 2 2 380.533 0.401 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000503814122 1194718774 /nfs/dbraw/zinc/71/87/74/1194718774.db2.gz KIGXUPCQQGCLSH-BRWVUGGUSA-N 2 2 380.533 0.401 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423026886 1194719247 /nfs/dbraw/zinc/71/92/47/1194719247.db2.gz CMTPHWNSFXDAIH-CVEARBPZSA-N 2 2 388.516 0.753 20 0 GCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000423035672 1194720648 /nfs/dbraw/zinc/72/06/48/1194720648.db2.gz JPZAGZSLOQLJOG-KRWDZBQOSA-N 2 2 378.448 0.046 20 0 GCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000423035672 1194720650 /nfs/dbraw/zinc/72/06/50/1194720650.db2.gz JPZAGZSLOQLJOG-KRWDZBQOSA-N 2 2 378.448 0.046 20 0 GCADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000423194497 1194738251 /nfs/dbraw/zinc/73/82/51/1194738251.db2.gz YXTQWRGFTGSOHA-UHFFFAOYSA-N 2 2 394.438 0.310 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000423262765 1194743116 /nfs/dbraw/zinc/74/31/16/1194743116.db2.gz VYWVJIRQRRGKAN-NXHRZFHOSA-N 2 2 386.496 0.578 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423323051 1194748881 /nfs/dbraw/zinc/74/88/81/1194748881.db2.gz JIVXJXQNXRABGU-JZXOWHBKSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423323051 1194748884 /nfs/dbraw/zinc/74/88/84/1194748884.db2.gz JIVXJXQNXRABGU-JZXOWHBKSA-N 2 2 380.533 0.402 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000423357839 1194751125 /nfs/dbraw/zinc/75/11/25/1194751125.db2.gz BACAHQYOCMPLIR-GOSISDBHSA-N 2 2 380.533 0.546 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000423505876 1194759905 /nfs/dbraw/zinc/75/99/05/1194759905.db2.gz HMXYFGKFOPMZSW-QRQLOZEOSA-N 3 2 393.576 0.602 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000423505876 1194759907 /nfs/dbraw/zinc/75/99/07/1194759907.db2.gz HMXYFGKFOPMZSW-QRQLOZEOSA-N 3 2 393.576 0.602 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000423505875 1194760013 /nfs/dbraw/zinc/76/00/13/1194760013.db2.gz HMXYFGKFOPMZSW-NZSAHSFTSA-N 3 2 393.576 0.602 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000423505875 1194760015 /nfs/dbraw/zinc/76/00/15/1194760015.db2.gz HMXYFGKFOPMZSW-NZSAHSFTSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423609369 1194773215 /nfs/dbraw/zinc/77/32/15/1194773215.db2.gz LNMNNKBZFIFNKB-ICSRJNTNSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000423609369 1194773216 /nfs/dbraw/zinc/77/32/16/1194773216.db2.gz LNMNNKBZFIFNKB-ICSRJNTNSA-N 2 2 399.539 0.225 20 0 GCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000423653816 1194779551 /nfs/dbraw/zinc/77/95/51/1194779551.db2.gz ZZEGFPZWXUNGEC-SFHVURJKSA-N 2 2 396.495 0.769 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000423709868 1194787115 /nfs/dbraw/zinc/78/71/15/1194787115.db2.gz JMLFGVPNQLIKNO-WDYCEAGBSA-N 2 2 386.496 0.721 20 0 GCADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423714302 1194787932 /nfs/dbraw/zinc/78/79/32/1194787932.db2.gz RQOPMVGXDSHATR-ROUUACIJSA-N 2 2 388.512 0.727 20 0 GCADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423714302 1194787933 /nfs/dbraw/zinc/78/79/33/1194787933.db2.gz RQOPMVGXDSHATR-ROUUACIJSA-N 2 2 388.512 0.727 20 0 GCADLP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)[C@H](C)[NH3+] ZINC000423740205 1194792895 /nfs/dbraw/zinc/79/28/95/1194792895.db2.gz IQBYUSYHHDTEMG-QFBILLFUSA-N 3 2 381.565 0.303 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@H](C)[NH3+] ZINC000423780304 1194793266 /nfs/dbraw/zinc/79/32/66/1194793266.db2.gz VXZKZXMIRVVRIC-CRAIPNDOSA-N 2 2 376.505 0.581 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@H](C)[NH3+] ZINC000423780304 1194793268 /nfs/dbraw/zinc/79/32/68/1194793268.db2.gz VXZKZXMIRVVRIC-CRAIPNDOSA-N 2 2 376.505 0.581 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C[C@@H](C)[NH3+])cc2)CC1 ZINC000261896186 1194800499 /nfs/dbraw/zinc/80/04/99/1194800499.db2.gz UMEBGJCNQLUPMG-MRXNPFEDSA-N 2 2 376.501 0.626 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c(=O)[nH]c1=O ZINC000647934935 1194805213 /nfs/dbraw/zinc/80/52/13/1194805213.db2.gz VCCUEWLLWLNMBV-UONOGXRCSA-N 2 2 394.520 0.743 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c(=O)[nH]c1=O ZINC000647934935 1194805215 /nfs/dbraw/zinc/80/52/15/1194805215.db2.gz VCCUEWLLWLNMBV-UONOGXRCSA-N 2 2 394.520 0.743 20 0 GCADLP Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)C[C@H]2[NH3+])cn1 ZINC000424505652 1194818972 /nfs/dbraw/zinc/81/89/72/1194818972.db2.gz LGVJXAVVMBOJKH-DLBZAZTESA-N 2 2 393.451 0.175 20 0 GCADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](CN(C)CC(N)=O)C2)CC1 ZINC000434639431 1194857728 /nfs/dbraw/zinc/85/77/28/1194857728.db2.gz VXBZPXOBUWPNNK-LJQANCHMSA-N 2 2 389.544 0.446 20 0 GCADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](CN(C)CC(N)=O)C2)CC1 ZINC000434639431 1194857730 /nfs/dbraw/zinc/85/77/30/1194857730.db2.gz VXBZPXOBUWPNNK-LJQANCHMSA-N 2 2 389.544 0.446 20 0 GCADLP CC[NH+]1CCN(c2ccccc2CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000434639431 1194857732 /nfs/dbraw/zinc/85/77/32/1194857732.db2.gz VXBZPXOBUWPNNK-LJQANCHMSA-N 2 2 389.544 0.446 20 0 GCADLP CC[NH+]1CCN(c2ccccc2CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000434639431 1194857735 /nfs/dbraw/zinc/85/77/35/1194857735.db2.gz VXBZPXOBUWPNNK-LJQANCHMSA-N 2 2 389.544 0.446 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000283274323 1194913410 /nfs/dbraw/zinc/91/34/10/1194913410.db2.gz GCRVMUGEQMQNNM-PBHICJAKSA-N 2 2 396.919 0.896 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000283274323 1194913412 /nfs/dbraw/zinc/91/34/12/1194913412.db2.gz GCRVMUGEQMQNNM-PBHICJAKSA-N 2 2 396.919 0.896 20 0 GCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)CC2)cc[nH+]1 ZINC000514855189 1194920702 /nfs/dbraw/zinc/92/07/02/1194920702.db2.gz QFRFIVHTIUAYLG-QGZVFWFLSA-N 2 2 386.500 0.282 20 0 GCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)CC2)cc[nH+]1 ZINC000514855188 1194920882 /nfs/dbraw/zinc/92/08/82/1194920882.db2.gz QFRFIVHTIUAYLG-KRWDZBQOSA-N 2 2 386.500 0.282 20 0 GCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000514925715 1194928390 /nfs/dbraw/zinc/92/83/90/1194928390.db2.gz JTPMKYGAFDUZAN-LJQANCHMSA-N 2 2 387.528 0.559 20 0 GCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514938342 1194931067 /nfs/dbraw/zinc/93/10/67/1194931067.db2.gz HIFWRLRQABYXAC-MSOLQXFVSA-N 3 2 379.549 0.071 20 0 GCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1 ZINC000505695826 1194932916 /nfs/dbraw/zinc/93/29/16/1194932916.db2.gz QNJLWQSFKLCUHX-YLJYHZDGSA-N 2 2 378.517 0.111 20 0 GCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1 ZINC000505695826 1194932918 /nfs/dbraw/zinc/93/29/18/1194932918.db2.gz QNJLWQSFKLCUHX-YLJYHZDGSA-N 2 2 378.517 0.111 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515049671 1194941539 /nfs/dbraw/zinc/94/15/39/1194941539.db2.gz IOIZDLPHTRTJEL-KRWDZBQOSA-N 2 2 375.517 0.559 20 0 GCADLP CC(C)OCC[NH+]1CCC(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000435560286 1194943423 /nfs/dbraw/zinc/94/34/23/1194943423.db2.gz MMFJQJMIJVDKOU-GOSISDBHSA-N 2 2 386.537 0.210 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000435614103 1194947353 /nfs/dbraw/zinc/94/73/53/1194947353.db2.gz CSPYDWMRWJRUFU-IBGZPJMESA-N 2 2 391.516 0.381 20 0 GCADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000515235883 1194961308 /nfs/dbraw/zinc/96/13/08/1194961308.db2.gz LCYWDEAQUZODEF-OAHLLOKOSA-N 2 2 390.484 0.756 20 0 GCADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000515235883 1194961312 /nfs/dbraw/zinc/96/13/12/1194961312.db2.gz LCYWDEAQUZODEF-OAHLLOKOSA-N 2 2 390.484 0.756 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000436063082 1194983476 /nfs/dbraw/zinc/98/34/76/1194983476.db2.gz SXPIDKNJCBIGJZ-HOTGVXAUSA-N 2 2 390.484 0.262 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000436063082 1194983479 /nfs/dbraw/zinc/98/34/79/1194983479.db2.gz SXPIDKNJCBIGJZ-HOTGVXAUSA-N 2 2 390.484 0.262 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000436063084 1194983612 /nfs/dbraw/zinc/98/36/12/1194983612.db2.gz SXPIDKNJCBIGJZ-JKSUJKDBSA-N 2 2 390.484 0.262 20 0 GCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000436063084 1194983614 /nfs/dbraw/zinc/98/36/14/1194983614.db2.gz SXPIDKNJCBIGJZ-JKSUJKDBSA-N 2 2 390.484 0.262 20 0 GCADLP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC ZINC000436054138 1194984001 /nfs/dbraw/zinc/98/40/01/1194984001.db2.gz GWGKXZKTWMPRQN-HNNXBMFYSA-N 2 2 378.473 0.962 20 0 GCADLP COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC ZINC000436054138 1194984003 /nfs/dbraw/zinc/98/40/03/1194984003.db2.gz GWGKXZKTWMPRQN-HNNXBMFYSA-N 2 2 378.473 0.962 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)CO1 ZINC000664552979 1195002753 /nfs/dbraw/zinc/00/27/53/1195002753.db2.gz WONBSXQWKWVSNK-JKSUJKDBSA-N 2 2 379.505 0.930 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)CO1 ZINC000664552979 1195002757 /nfs/dbraw/zinc/00/27/57/1195002757.db2.gz WONBSXQWKWVSNK-JKSUJKDBSA-N 2 2 379.505 0.930 20 0 GCADLP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000287903824 1195044098 /nfs/dbraw/zinc/04/40/98/1195044098.db2.gz NXPJPTOCIXVLNT-SFHVURJKSA-N 2 2 388.512 0.604 20 0 GCADLP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000287903824 1195044102 /nfs/dbraw/zinc/04/41/02/1195044102.db2.gz NXPJPTOCIXVLNT-SFHVURJKSA-N 2 2 388.512 0.604 20 0 GCADLP CCC[NH2+][C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000516766386 1195092586 /nfs/dbraw/zinc/09/25/86/1195092586.db2.gz SSGSVWRFGUGAHC-OAHLLOKOSA-N 2 2 383.518 0.038 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000437438396 1195111075 /nfs/dbraw/zinc/11/10/75/1195111075.db2.gz IKNYNIGBDACPRJ-UHFFFAOYSA-N 2 2 376.457 0.838 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000437438396 1195111079 /nfs/dbraw/zinc/11/10/79/1195111079.db2.gz IKNYNIGBDACPRJ-UHFFFAOYSA-N 2 2 376.457 0.838 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000516915422 1195112380 /nfs/dbraw/zinc/11/23/80/1195112380.db2.gz HMMBJQCCAGNAHC-ROUUACIJSA-N 2 2 382.549 0.840 20 0 GCADLP C[C@H](CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395781 1195115346 /nfs/dbraw/zinc/11/53/46/1195115346.db2.gz YHPNRKBZAGEUBD-NDBYEHHHSA-N 2 2 386.447 0.978 20 0 GCADLP C[C@H](CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395781 1195115347 /nfs/dbraw/zinc/11/53/47/1195115347.db2.gz YHPNRKBZAGEUBD-NDBYEHHHSA-N 2 2 386.447 0.978 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000437480749 1195115604 /nfs/dbraw/zinc/11/56/04/1195115604.db2.gz WRWTVSUQJIRMPW-MHZLTWQESA-N 2 2 394.541 0.847 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000437480749 1195115605 /nfs/dbraw/zinc/11/56/05/1195115605.db2.gz WRWTVSUQJIRMPW-MHZLTWQESA-N 2 2 394.541 0.847 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000516968358 1195118191 /nfs/dbraw/zinc/11/81/91/1195118191.db2.gz QWFHRAUZOPSYGD-INIZCTEOSA-N 2 2 377.452 0.899 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN(C)[C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000517154961 1195144195 /nfs/dbraw/zinc/14/41/95/1195144195.db2.gz USMRJGXZEGMOOQ-GOSISDBHSA-N 2 2 390.528 0.950 20 0 GCADLP C[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000438319362 1195206466 /nfs/dbraw/zinc/20/64/66/1195206466.db2.gz NGGRTUUGWCEHQS-QGZVFWFLSA-N 2 2 378.521 1.457 20 0 GCADLP CCOCCO[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517985776 1195235971 /nfs/dbraw/zinc/23/59/71/1195235971.db2.gz PRELZWCVSYDYRB-QGZVFWFLSA-N 2 2 398.548 0.125 20 0 GCADLP CCCCO[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517985124 1195236225 /nfs/dbraw/zinc/23/62/25/1195236225.db2.gz HBSMIJLOTLOICI-QGZVFWFLSA-N 2 2 382.549 0.888 20 0 GCADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000438891379 1195266485 /nfs/dbraw/zinc/26/64/85/1195266485.db2.gz FDOXSGFQFWFIAB-SFHVURJKSA-N 2 2 393.495 0.766 20 0 GCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)Cc1ccc(F)cc1 ZINC000518243870 1195270772 /nfs/dbraw/zinc/27/07/72/1195270772.db2.gz MULDFWJKJCFKPY-UHFFFAOYSA-N 2 2 394.491 0.289 20 0 GCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)Cc1ccc(F)cc1 ZINC000518243870 1195270774 /nfs/dbraw/zinc/27/07/74/1195270774.db2.gz MULDFWJKJCFKPY-UHFFFAOYSA-N 2 2 394.491 0.289 20 0 GCADLP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414973951 1195275271 /nfs/dbraw/zinc/27/52/71/1195275271.db2.gz JNMJGIIEZMWQTA-RDJZCZTQSA-N 2 2 378.517 0.934 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715730 1195323870 /nfs/dbraw/zinc/32/38/70/1195323870.db2.gz NRIUABVCHNWBOA-NQYYFHDYSA-N 2 2 386.496 0.355 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715730 1195323873 /nfs/dbraw/zinc/32/38/73/1195323873.db2.gz NRIUABVCHNWBOA-NQYYFHDYSA-N 2 2 386.496 0.355 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715730 1195323877 /nfs/dbraw/zinc/32/38/77/1195323877.db2.gz NRIUABVCHNWBOA-NQYYFHDYSA-N 2 2 386.496 0.355 20 0 GCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715730 1195323881 /nfs/dbraw/zinc/32/38/81/1195323881.db2.gz NRIUABVCHNWBOA-NQYYFHDYSA-N 2 2 386.496 0.355 20 0 GCADLP CCCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000439646604 1195339271 /nfs/dbraw/zinc/33/92/71/1195339271.db2.gz LBYGRUQRXNDDTP-RDJZCZTQSA-N 2 2 389.562 0.501 20 0 GCADLP C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)([NH+](C)C)C1 ZINC000519109403 1195368759 /nfs/dbraw/zinc/36/87/59/1195368759.db2.gz PCMVCQRSGJXILW-LVCYWYKZSA-N 2 2 394.560 0.794 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000519189466 1195378635 /nfs/dbraw/zinc/37/86/35/1195378635.db2.gz BNBJVNUCQOQSGI-GOSISDBHSA-N 2 2 398.548 0.029 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000519189466 1195378639 /nfs/dbraw/zinc/37/86/39/1195378639.db2.gz BNBJVNUCQOQSGI-GOSISDBHSA-N 2 2 398.548 0.029 20 0 GCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)CC1 ZINC000519208567 1195380710 /nfs/dbraw/zinc/38/07/10/1195380710.db2.gz AIBXDWJCLFQMHM-OTWHNJEPSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)CC1 ZINC000519208567 1195380713 /nfs/dbraw/zinc/38/07/13/1195380713.db2.gz AIBXDWJCLFQMHM-OTWHNJEPSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000519208567 1195380716 /nfs/dbraw/zinc/38/07/16/1195380716.db2.gz AIBXDWJCLFQMHM-OTWHNJEPSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000519208567 1195380719 /nfs/dbraw/zinc/38/07/19/1195380719.db2.gz AIBXDWJCLFQMHM-OTWHNJEPSA-N 2 2 381.565 0.907 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000519353639 1195395932 /nfs/dbraw/zinc/39/59/32/1195395932.db2.gz UDNLEKHCBBDIFJ-GOSISDBHSA-N 3 2 394.564 0.184 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000519353639 1195395937 /nfs/dbraw/zinc/39/59/37/1195395937.db2.gz UDNLEKHCBBDIFJ-GOSISDBHSA-N 3 2 394.564 0.184 20 0 GCADLP CC(C)O[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000653398983 1195419556 /nfs/dbraw/zinc/41/95/56/1195419556.db2.gz VQEWPHJRPUETIM-AEFFLSMTSA-N 2 2 380.533 0.687 20 0 GCADLP CC(C)O[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000653398983 1195419559 /nfs/dbraw/zinc/41/95/59/1195419559.db2.gz VQEWPHJRPUETIM-AEFFLSMTSA-N 2 2 380.533 0.687 20 0 GCADLP CCOC(=O)Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(-c2cnn(C)c2)n1 ZINC000894468987 1195430102 /nfs/dbraw/zinc/43/01/02/1195430102.db2.gz GZTULESJISZJDJ-GOSISDBHSA-N 2 2 376.461 0.003 20 0 GCADLP CCOC(=O)Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(-c2cnn(C)c2)n1 ZINC000894468987 1195430105 /nfs/dbraw/zinc/43/01/05/1195430105.db2.gz GZTULESJISZJDJ-GOSISDBHSA-N 2 2 376.461 0.003 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000519556671 1195445392 /nfs/dbraw/zinc/44/53/92/1195445392.db2.gz PCJKMOFIVAKSTN-SJLPKXTDSA-N 2 2 383.496 0.999 20 0 GCADLP CN(C(=O)C(=O)NCc1cc[nH]n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550203285 1195460233 /nfs/dbraw/zinc/46/02/33/1195460233.db2.gz AJKCVCSTHBYFKV-MSOLQXFVSA-N 2 2 390.532 0.822 20 0 GCADLP CN(C(=O)C(=O)NCc1cc[nH]n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550203285 1195460237 /nfs/dbraw/zinc/46/02/37/1195460237.db2.gz AJKCVCSTHBYFKV-MSOLQXFVSA-N 2 2 390.532 0.822 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000112144677 1195464265 /nfs/dbraw/zinc/46/42/65/1195464265.db2.gz KMXISZULMAEVPY-CQSZACIVSA-N 2 2 393.454 0.817 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000112144677 1195464268 /nfs/dbraw/zinc/46/42/68/1195464268.db2.gz KMXISZULMAEVPY-CQSZACIVSA-N 2 2 393.454 0.817 20 0 GCADLP CC[N@H+](CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000102014275 1195468954 /nfs/dbraw/zinc/46/89/54/1195468954.db2.gz STGBZIZVEBDLOB-UHFFFAOYSA-N 2 2 388.516 0.904 20 0 GCADLP CC[N@@H+](CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000102014275 1195468956 /nfs/dbraw/zinc/46/89/56/1195468956.db2.gz STGBZIZVEBDLOB-UHFFFAOYSA-N 2 2 388.516 0.904 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCOCC1 ZINC000550278867 1195480345 /nfs/dbraw/zinc/48/03/45/1195480345.db2.gz PQXBGBNOJHQGME-RTBURBONSA-N 2 2 394.560 0.650 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCOCC1 ZINC000550278867 1195480347 /nfs/dbraw/zinc/48/03/47/1195480347.db2.gz PQXBGBNOJHQGME-RTBURBONSA-N 2 2 394.560 0.650 20 0 GCADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)[C@H](C)C1 ZINC000507300740 1195510462 /nfs/dbraw/zinc/51/04/62/1195510462.db2.gz JCXNWNYMNPJGRC-CQSZACIVSA-N 2 2 375.473 0.678 20 0 GCADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)[C@H](C)C1 ZINC000507300740 1195510464 /nfs/dbraw/zinc/51/04/64/1195510464.db2.gz JCXNWNYMNPJGRC-CQSZACIVSA-N 2 2 375.473 0.678 20 0 GCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)cn1 ZINC000519821029 1195576118 /nfs/dbraw/zinc/57/61/18/1195576118.db2.gz QUSJHJMCZNYPRM-KSZLIROESA-N 2 2 388.516 0.040 20 0 GCADLP Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)cn1 ZINC000519821029 1195576119 /nfs/dbraw/zinc/57/61/19/1195576119.db2.gz QUSJHJMCZNYPRM-KSZLIROESA-N 2 2 388.516 0.040 20 0 GCADLP CO[C@@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H](C)C1 ZINC000441380359 1195629467 /nfs/dbraw/zinc/62/94/67/1195629467.db2.gz QPUSFWSBGQVIBV-HUUCEWRRSA-N 2 2 387.488 0.511 20 0 GCADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H](C)C1 ZINC000441380359 1195629469 /nfs/dbraw/zinc/62/94/69/1195629469.db2.gz QPUSFWSBGQVIBV-HUUCEWRRSA-N 2 2 387.488 0.511 20 0 GCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000550325018 1195629511 /nfs/dbraw/zinc/62/95/11/1195629511.db2.gz ONMVZRTYLZTGMC-UHFFFAOYSA-N 2 2 394.560 0.986 20 0 GCADLP CC(C)Nc1nc(NC2CC[NH+](Cc3ccccc3)CC2)nc(NCCO)[nH+]1 ZINC000550345979 1195639330 /nfs/dbraw/zinc/63/93/30/1195639330.db2.gz OBANMAVUZAHAEQ-UHFFFAOYSA-N 2 2 385.516 0.438 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550355387 1195642098 /nfs/dbraw/zinc/64/20/98/1195642098.db2.gz FCIRITOLXSEXHD-FGTMMUONSA-N 2 2 382.549 0.839 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550356773 1195643250 /nfs/dbraw/zinc/64/32/50/1195643250.db2.gz SGMLDKVSLCBYDN-SFHVURJKSA-N 2 2 398.548 0.077 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000550358797 1195643470 /nfs/dbraw/zinc/64/34/70/1195643470.db2.gz FJGKTBXVSPGFNT-ROUUACIJSA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000550358797 1195643472 /nfs/dbraw/zinc/64/34/72/1195643472.db2.gz FJGKTBXVSPGFNT-ROUUACIJSA-N 2 2 382.549 0.648 20 0 GCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000550358456 1195643518 /nfs/dbraw/zinc/64/35/18/1195643518.db2.gz APWSYDFUKSBMMI-MSOLQXFVSA-N 2 2 382.549 0.698 20 0 GCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000550358456 1195643523 /nfs/dbraw/zinc/64/35/23/1195643523.db2.gz APWSYDFUKSBMMI-MSOLQXFVSA-N 2 2 382.549 0.698 20 0 GCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000550358458 1195643535 /nfs/dbraw/zinc/64/35/35/1195643535.db2.gz APWSYDFUKSBMMI-QZTJIDSGSA-N 2 2 382.549 0.698 20 0 GCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000550358458 1195643536 /nfs/dbraw/zinc/64/35/36/1195643536.db2.gz APWSYDFUKSBMMI-QZTJIDSGSA-N 2 2 382.549 0.698 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+]1CCN(C)CC1 ZINC000550382364 1195650659 /nfs/dbraw/zinc/65/06/59/1195650659.db2.gz SGMUIWRVAXHCLD-MSOLQXFVSA-N 2 2 381.565 0.365 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383748 1195651374 /nfs/dbraw/zinc/65/13/74/1195651374.db2.gz RYWHLHVYUJIJQI-ROUUACIJSA-N 2 2 381.565 0.173 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383748 1195651376 /nfs/dbraw/zinc/65/13/76/1195651376.db2.gz RYWHLHVYUJIJQI-ROUUACIJSA-N 2 2 381.565 0.173 20 0 GCADLP C[C@@H](CNc1cc(NC[C@H](C)N2CC[NH+](C)CC2)ncn1)N1CC[NH+](C)CC1 ZINC000123530246 1195652103 /nfs/dbraw/zinc/65/21/03/1195652103.db2.gz HSNGISKHHIFRCN-ROUUACIJSA-N 2 2 390.580 0.572 20 0 GCADLP CCOC1CC([NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000328807622 1195665965 /nfs/dbraw/zinc/66/59/65/1195665965.db2.gz DOTGPVZQEVYSLX-GTPINHCMSA-N 2 2 375.517 0.990 20 0 GCADLP CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124594191 1195681524 /nfs/dbraw/zinc/68/15/24/1195681524.db2.gz KTRGJBYQANEZBQ-IRXDYDNUSA-N 2 2 391.520 0.173 20 0 GCADLP CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124594191 1195681526 /nfs/dbraw/zinc/68/15/26/1195681526.db2.gz KTRGJBYQANEZBQ-IRXDYDNUSA-N 2 2 391.520 0.173 20 0 GCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000181782976 1195780988 /nfs/dbraw/zinc/78/09/88/1195780988.db2.gz DLKSGDJZONJDJT-UXHICEINSA-N 2 2 388.512 0.869 20 0 GCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000181782976 1195780989 /nfs/dbraw/zinc/78/09/89/1195780989.db2.gz DLKSGDJZONJDJT-UXHICEINSA-N 2 2 388.512 0.869 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000520628069 1195806216 /nfs/dbraw/zinc/80/62/16/1195806216.db2.gz JHWHLVIVBOMPPQ-LJQANCHMSA-N 3 2 393.576 0.604 20 0 GCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[NH+]1CCCC1 ZINC000550447038 1195881088 /nfs/dbraw/zinc/88/10/88/1195881088.db2.gz RCNGESVTJHOTJJ-KRWDZBQOSA-N 2 2 385.468 0.961 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000520847775 1195927791 /nfs/dbraw/zinc/92/77/91/1195927791.db2.gz RSRIIQQSJFYTOP-YESZJQIVSA-N 2 2 382.549 0.981 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000520847775 1195927793 /nfs/dbraw/zinc/92/77/93/1195927793.db2.gz RSRIIQQSJFYTOP-YESZJQIVSA-N 2 2 382.549 0.981 20 0 GCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000643397783 1195941959 /nfs/dbraw/zinc/94/19/59/1195941959.db2.gz QBOPVNBXGYMIOQ-SJLPKXTDSA-N 3 2 379.549 0.212 20 0 GCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000643397783 1195941962 /nfs/dbraw/zinc/94/19/62/1195941962.db2.gz QBOPVNBXGYMIOQ-SJLPKXTDSA-N 3 2 379.549 0.212 20 0 GCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000643397783 1195941964 /nfs/dbraw/zinc/94/19/64/1195941964.db2.gz QBOPVNBXGYMIOQ-SJLPKXTDSA-N 3 2 379.549 0.212 20 0 GCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000643397783 1195941967 /nfs/dbraw/zinc/94/19/67/1195941967.db2.gz QBOPVNBXGYMIOQ-SJLPKXTDSA-N 3 2 379.549 0.212 20 0 GCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000521076053 1195961466 /nfs/dbraw/zinc/96/14/66/1195961466.db2.gz FVHXDAJXOAGVAA-OALUTQOASA-N 2 2 394.560 0.983 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC[N@H+]1C ZINC000442274955 1195969941 /nfs/dbraw/zinc/96/99/41/1195969941.db2.gz WXCJSDSQUNWAIL-KGLIPLIRSA-N 2 2 375.473 0.676 20 0 GCADLP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000442274955 1195969945 /nfs/dbraw/zinc/96/99/45/1195969945.db2.gz WXCJSDSQUNWAIL-KGLIPLIRSA-N 2 2 375.473 0.676 20 0 GCADLP CC[C@@H](CO)Nc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000895164778 1196001898 /nfs/dbraw/zinc/00/18/98/1196001898.db2.gz DBZSVYBXWRJYJS-IRXDYDNUSA-N 2 2 378.521 0.868 20 0 GCADLP CC[C@@H](CO)Nc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000895164778 1196001900 /nfs/dbraw/zinc/00/19/00/1196001900.db2.gz DBZSVYBXWRJYJS-IRXDYDNUSA-N 2 2 378.521 0.868 20 0 GCADLP CC[C@H](CO)Nc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000895164774 1196002017 /nfs/dbraw/zinc/00/20/17/1196002017.db2.gz DBZSVYBXWRJYJS-IAGOWNOFSA-N 2 2 378.521 0.868 20 0 GCADLP CC[C@H](CO)Nc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000895164774 1196002020 /nfs/dbraw/zinc/00/20/20/1196002020.db2.gz DBZSVYBXWRJYJS-IAGOWNOFSA-N 2 2 378.521 0.868 20 0 GCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000442799880 1196004764 /nfs/dbraw/zinc/00/47/64/1196004764.db2.gz LHFHCGHPJZUFDZ-ZBFHGGJFSA-N 2 2 383.518 0.023 20 0 GCADLP C[C@H](CO)[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C[C@H](C)O ZINC000443334791 1196040894 /nfs/dbraw/zinc/04/08/94/1196040894.db2.gz NCJUPFKNOVFQQP-SJORKVTESA-N 2 2 379.501 0.199 20 0 GCADLP C[C@H](CO)[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C[C@H](C)O ZINC000443334791 1196040895 /nfs/dbraw/zinc/04/08/95/1196040895.db2.gz NCJUPFKNOVFQQP-SJORKVTESA-N 2 2 379.501 0.199 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)CC1=O ZINC000367070419 1196043637 /nfs/dbraw/zinc/04/36/37/1196043637.db2.gz CTUXZTQJTXBPTG-IPMKNSEASA-N 2 2 385.512 0.887 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)CC1=O ZINC000367070419 1196043638 /nfs/dbraw/zinc/04/36/38/1196043638.db2.gz CTUXZTQJTXBPTG-IPMKNSEASA-N 2 2 385.512 0.887 20 0 GCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000550494775 1196056523 /nfs/dbraw/zinc/05/65/23/1196056523.db2.gz QYUAPNCULLSBKB-ZWKOTPCHSA-N 2 2 380.533 0.738 20 0 GCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895253450 1196070662 /nfs/dbraw/zinc/07/06/62/1196070662.db2.gz FXUOYEQJMMRCCP-QWHCGFSZSA-N 2 2 392.424 0.971 20 0 GCADLP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895253448 1196070769 /nfs/dbraw/zinc/07/07/69/1196070769.db2.gz FXUOYEQJMMRCCP-CHWSQXEVSA-N 2 2 392.424 0.971 20 0 GCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000550534592 1196078681 /nfs/dbraw/zinc/07/86/81/1196078681.db2.gz GNNUCHHHIDPPNT-UHFFFAOYSA-N 2 2 390.528 0.934 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000550582042 1196093689 /nfs/dbraw/zinc/09/36/89/1196093689.db2.gz LMUOKQVKNAAEIR-KLHDSHLOSA-N 2 2 380.533 0.732 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@H+]1C1CC1 ZINC000550582042 1196093690 /nfs/dbraw/zinc/09/36/90/1196093690.db2.gz LMUOKQVKNAAEIR-KLHDSHLOSA-N 2 2 380.533 0.732 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000550582038 1196093738 /nfs/dbraw/zinc/09/37/38/1196093738.db2.gz LMUOKQVKNAAEIR-CAOSSQGBSA-N 2 2 380.533 0.732 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000550582038 1196093741 /nfs/dbraw/zinc/09/37/41/1196093741.db2.gz LMUOKQVKNAAEIR-CAOSSQGBSA-N 2 2 380.533 0.732 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000550582038 1196093743 /nfs/dbraw/zinc/09/37/43/1196093743.db2.gz LMUOKQVKNAAEIR-CAOSSQGBSA-N 2 2 380.533 0.732 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000550582038 1196093746 /nfs/dbraw/zinc/09/37/46/1196093746.db2.gz LMUOKQVKNAAEIR-CAOSSQGBSA-N 2 2 380.533 0.732 20 0 GCADLP C[NH+]1CCN([C@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c2cccs2)CC1 ZINC000895468849 1196097376 /nfs/dbraw/zinc/09/73/76/1196097376.db2.gz WIJMIRPFBIODJL-DLBZAZTESA-N 2 2 378.542 0.874 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC[NH+]3CCC(O)CC3)C2)c1 ZINC000896232367 1196136871 /nfs/dbraw/zinc/13/68/71/1196136871.db2.gz WVTQWHBTTAXCEK-FQEVSTJZSA-N 2 2 390.528 0.952 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC[NH+]3CCC(O)CC3)C2)c1 ZINC000896232367 1196136874 /nfs/dbraw/zinc/13/68/74/1196136874.db2.gz WVTQWHBTTAXCEK-FQEVSTJZSA-N 2 2 390.528 0.952 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828682 1196144759 /nfs/dbraw/zinc/14/47/59/1196144759.db2.gz XMMNPGAVEHLUFE-QWHCGFSZSA-N 2 2 380.493 0.353 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828682 1196144761 /nfs/dbraw/zinc/14/47/61/1196144761.db2.gz XMMNPGAVEHLUFE-QWHCGFSZSA-N 2 2 380.493 0.353 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000896539740 1196157114 /nfs/dbraw/zinc/15/71/14/1196157114.db2.gz BFTQFCBEJJKVHG-XLIONFOSSA-N 3 2 379.593 0.933 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000896539740 1196157116 /nfs/dbraw/zinc/15/71/16/1196157116.db2.gz BFTQFCBEJJKVHG-XLIONFOSSA-N 3 2 379.593 0.933 20 0 GCADLP Cc1cnn(CCC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000329162330 1196170695 /nfs/dbraw/zinc/17/06/95/1196170695.db2.gz ZORMNHAYCSXRFT-UHFFFAOYSA-N 2 2 390.532 0.278 20 0 GCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329288598 1196183003 /nfs/dbraw/zinc/18/30/03/1196183003.db2.gz MUUAGCXURTYUKI-MSOLQXFVSA-N 2 2 378.517 0.254 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1=O ZINC000329352232 1196188126 /nfs/dbraw/zinc/18/81/26/1196188126.db2.gz DTMFFAUCDIOVTR-NCXUSEDFSA-N 2 2 392.544 0.641 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1=O ZINC000329352232 1196188131 /nfs/dbraw/zinc/18/81/31/1196188131.db2.gz DTMFFAUCDIOVTR-NCXUSEDFSA-N 2 2 392.544 0.641 20 0 GCADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000329410086 1196193384 /nfs/dbraw/zinc/19/33/84/1196193384.db2.gz AIORZPDCPRDHBM-GOSISDBHSA-N 2 2 378.517 0.396 20 0 GCADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000329410087 1196193538 /nfs/dbraw/zinc/19/35/38/1196193538.db2.gz AIORZPDCPRDHBM-SFHVURJKSA-N 2 2 378.517 0.396 20 0 GCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000896740789 1196202062 /nfs/dbraw/zinc/20/20/62/1196202062.db2.gz IHBSIAXOWMQOIY-LJQANCHMSA-N 2 2 388.512 0.972 20 0 GCADLP CN1CC[NH+](CCOc2ccc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000896740789 1196202065 /nfs/dbraw/zinc/20/20/65/1196202065.db2.gz IHBSIAXOWMQOIY-LJQANCHMSA-N 2 2 388.512 0.972 20 0 GCADLP CN(C(=O)[C@H]1C[C@@]12CCOC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329658315 1196216078 /nfs/dbraw/zinc/21/60/78/1196216078.db2.gz NIDRLQWRKCVZEF-YLJYHZDGSA-N 2 2 378.517 0.110 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CCCC4)CC[C@@H]3C2)O1 ZINC001088012232 1196217046 /nfs/dbraw/zinc/21/70/46/1196217046.db2.gz ZXALEAADKATKCL-VXIBKDFQSA-N 2 2 392.544 0.545 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CCCC4)CC[C@@H]3C2)O1 ZINC001088012232 1196217049 /nfs/dbraw/zinc/21/70/49/1196217049.db2.gz ZXALEAADKATKCL-VXIBKDFQSA-N 2 2 392.544 0.545 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CCCC4)CC[C@@H]3C2)O1 ZINC001088012232 1196217052 /nfs/dbraw/zinc/21/70/52/1196217052.db2.gz ZXALEAADKATKCL-VXIBKDFQSA-N 2 2 392.544 0.545 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CCCC4)CC[C@@H]3C2)O1 ZINC001088012232 1196217055 /nfs/dbraw/zinc/21/70/55/1196217055.db2.gz ZXALEAADKATKCL-VXIBKDFQSA-N 2 2 392.544 0.545 20 0 GCADLP CC(C)n1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012106 1196217228 /nfs/dbraw/zinc/21/72/28/1196217228.db2.gz SRZNIRINQPFTRJ-ZJPYXAASSA-N 2 2 390.532 0.858 20 0 GCADLP CC(C)n1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012106 1196217229 /nfs/dbraw/zinc/21/72/29/1196217229.db2.gz SRZNIRINQPFTRJ-ZJPYXAASSA-N 2 2 390.532 0.858 20 0 GCADLP CC(C)n1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012106 1196217231 /nfs/dbraw/zinc/21/72/31/1196217231.db2.gz SRZNIRINQPFTRJ-ZJPYXAASSA-N 2 2 390.532 0.858 20 0 GCADLP CC(C)n1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012106 1196217233 /nfs/dbraw/zinc/21/72/33/1196217233.db2.gz SRZNIRINQPFTRJ-ZJPYXAASSA-N 2 2 390.532 0.858 20 0 GCADLP CC[C@H]1CC[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000329824988 1196232847 /nfs/dbraw/zinc/23/28/47/1196232847.db2.gz QTAFZVWMXYKAKJ-ROUUACIJSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)CCc1cnccn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330023556 1196246878 /nfs/dbraw/zinc/24/68/78/1196246878.db2.gz IWFNTLIKQDRIRL-UHFFFAOYSA-N 2 2 388.516 0.106 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC[C@H]21 ZINC000330127264 1196254759 /nfs/dbraw/zinc/25/47/59/1196254759.db2.gz MSEYIUYLSYGAQY-KZNAEPCWSA-N 2 2 378.517 0.110 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC[C@H]21 ZINC000330127264 1196254762 /nfs/dbraw/zinc/25/47/62/1196254762.db2.gz MSEYIUYLSYGAQY-KZNAEPCWSA-N 2 2 378.517 0.110 20 0 GCADLP CN(C(=O)CCc1ccncn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330249019 1196261389 /nfs/dbraw/zinc/26/13/89/1196261389.db2.gz ZPQRZEKJJAZZJI-UHFFFAOYSA-N 2 2 388.516 0.106 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000281530886 1196302453 /nfs/dbraw/zinc/30/24/53/1196302453.db2.gz JRENMXGBIMVVFG-UHFFFAOYSA-N 2 2 386.493 0.571 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000281530886 1196302458 /nfs/dbraw/zinc/30/24/58/1196302458.db2.gz JRENMXGBIMVVFG-UHFFFAOYSA-N 2 2 386.493 0.571 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000444170963 1196355290 /nfs/dbraw/zinc/35/52/90/1196355290.db2.gz UNUNUNVHONOEBD-MSOLQXFVSA-N 2 2 384.484 0.833 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000444170963 1196355293 /nfs/dbraw/zinc/35/52/93/1196355293.db2.gz UNUNUNVHONOEBD-MSOLQXFVSA-N 2 2 384.484 0.833 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000444170966 1196355755 /nfs/dbraw/zinc/35/57/55/1196355755.db2.gz UNUNUNVHONOEBD-ROUUACIJSA-N 2 2 384.484 0.833 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000444170966 1196355759 /nfs/dbraw/zinc/35/57/59/1196355759.db2.gz UNUNUNVHONOEBD-ROUUACIJSA-N 2 2 384.484 0.833 20 0 GCADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000897002296 1196382420 /nfs/dbraw/zinc/38/24/20/1196382420.db2.gz UPXZLGIWYNPYPE-JKSUJKDBSA-N 2 2 382.505 0.374 20 0 GCADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000897002296 1196382425 /nfs/dbraw/zinc/38/24/25/1196382425.db2.gz UPXZLGIWYNPYPE-JKSUJKDBSA-N 2 2 382.505 0.374 20 0 GCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000301983340 1196437576 /nfs/dbraw/zinc/43/75/76/1196437576.db2.gz YKEIJYQABIDTKY-NVXWUHKLSA-N 2 2 388.516 0.604 20 0 GCADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000301983340 1196437578 /nfs/dbraw/zinc/43/75/78/1196437578.db2.gz YKEIJYQABIDTKY-NVXWUHKLSA-N 2 2 388.516 0.604 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717532 1196447314 /nfs/dbraw/zinc/44/73/14/1196447314.db2.gz CZTFFEXMOFDKEH-GCJKJVERSA-N 2 2 399.539 0.994 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717532 1196447317 /nfs/dbraw/zinc/44/73/17/1196447317.db2.gz CZTFFEXMOFDKEH-GCJKJVERSA-N 2 2 399.539 0.994 20 0 GCADLP Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC000106041416 1196470526 /nfs/dbraw/zinc/47/05/26/1196470526.db2.gz FRSRRIIEWMIOBO-UHFFFAOYSA-N 2 2 375.517 0.644 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000110537782 1196489722 /nfs/dbraw/zinc/48/97/22/1196489722.db2.gz GEXJASGFGMGOLX-KRWDZBQOSA-N 2 2 388.516 0.430 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000110537782 1196489726 /nfs/dbraw/zinc/48/97/26/1196489726.db2.gz GEXJASGFGMGOLX-KRWDZBQOSA-N 2 2 388.516 0.430 20 0 GCADLP CC(C)[N@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523388290 1196520999 /nfs/dbraw/zinc/52/09/99/1196520999.db2.gz DVBJUPVVEHWWGP-UHFFFAOYSA-N 2 2 391.520 0.485 20 0 GCADLP CC(C)[N@@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523388290 1196521004 /nfs/dbraw/zinc/52/10/04/1196521004.db2.gz DVBJUPVVEHWWGP-UHFFFAOYSA-N 2 2 391.520 0.485 20 0 GCADLP CC(C)[N@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523388290 1196521007 /nfs/dbraw/zinc/52/10/07/1196521007.db2.gz DVBJUPVVEHWWGP-UHFFFAOYSA-N 2 2 391.520 0.485 20 0 GCADLP CC(C)[N@@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523388290 1196521012 /nfs/dbraw/zinc/52/10/12/1196521012.db2.gz DVBJUPVVEHWWGP-UHFFFAOYSA-N 2 2 391.520 0.485 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000925167492 1196567276 /nfs/dbraw/zinc/56/72/76/1196567276.db2.gz QJODQJAZAQGXHT-IRXDYDNUSA-N 2 2 386.562 0.556 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925167492 1196567279 /nfs/dbraw/zinc/56/72/79/1196567279.db2.gz QJODQJAZAQGXHT-IRXDYDNUSA-N 2 2 386.562 0.556 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000523919140 1196568256 /nfs/dbraw/zinc/56/82/56/1196568256.db2.gz ADUZATVPANXFKX-MRXNPFEDSA-N 2 2 383.537 0.339 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc2)CC1 ZINC000445933642 1196601530 /nfs/dbraw/zinc/60/15/30/1196601530.db2.gz YHVNQGMXBNQHCM-UHFFFAOYSA-N 2 2 389.500 0.309 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446257590 1196629107 /nfs/dbraw/zinc/62/91/07/1196629107.db2.gz GQAUXUIMVQCHFZ-HGHGUNKESA-N 2 2 394.560 0.922 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446257590 1196629113 /nfs/dbraw/zinc/62/91/13/1196629113.db2.gz GQAUXUIMVQCHFZ-HGHGUNKESA-N 2 2 394.560 0.922 20 0 GCADLP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446371018 1196638510 /nfs/dbraw/zinc/63/85/10/1196638510.db2.gz NXUKFKRAQNQTTH-OGWOLHLISA-N 2 2 377.489 0.686 20 0 GCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000447065475 1196690996 /nfs/dbraw/zinc/69/09/96/1196690996.db2.gz ANZWWYJMHUZXRM-SJLPKXTDSA-N 2 2 379.505 0.074 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000527079989 1196763487 /nfs/dbraw/zinc/76/34/87/1196763487.db2.gz AHPBOYPXRANDQB-HNNXBMFYSA-N 2 2 375.473 0.623 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000527079989 1196763488 /nfs/dbraw/zinc/76/34/88/1196763488.db2.gz AHPBOYPXRANDQB-HNNXBMFYSA-N 2 2 375.473 0.623 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000527126442 1196765279 /nfs/dbraw/zinc/76/52/79/1196765279.db2.gz BPBBBLHTRFCDCZ-UHFFFAOYSA-N 3 2 381.525 0.172 20 0 GCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000448500411 1196811529 /nfs/dbraw/zinc/81/15/29/1196811529.db2.gz ZGNOWTWHVUGDJY-MRXNPFEDSA-N 2 2 392.504 0.002 20 0 GCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000448500411 1196811533 /nfs/dbraw/zinc/81/15/33/1196811533.db2.gz ZGNOWTWHVUGDJY-MRXNPFEDSA-N 2 2 392.504 0.002 20 0 GCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528602139 1196870066 /nfs/dbraw/zinc/87/00/66/1196870066.db2.gz FZHQYGUXAVFWFH-UXPWSPDFSA-N 2 2 391.512 0.056 20 0 GCADLP Cc1cc(N2CCN(C(=O)C[NH+]3C[C@@H](CO)[C@H](CO)C3)CC2)nc(C(C)C)[nH+]1 ZINC000528603927 1196870943 /nfs/dbraw/zinc/87/09/43/1196870943.db2.gz GSWBHGFRTSYZMN-IRXDYDNUSA-N 2 2 391.516 0.090 20 0 GCADLP C[C@]1(CO)C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@]1(C)CO ZINC000528748931 1196885671 /nfs/dbraw/zinc/88/56/71/1196885671.db2.gz JPRXOUSEVCCYDR-BGYRXZFFSA-N 2 2 397.560 0.451 20 0 GCADLP C[C@]1(CO)C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@]1(C)CO ZINC000528748931 1196885678 /nfs/dbraw/zinc/88/56/78/1196885678.db2.gz JPRXOUSEVCCYDR-BGYRXZFFSA-N 2 2 397.560 0.451 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000153941267 1196903051 /nfs/dbraw/zinc/90/30/51/1196903051.db2.gz SACAAZNWHDVOHV-QRVBRYPASA-N 2 2 393.576 0.556 20 0 GCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@@H]1COCC[NH2+]1 ZINC000529299331 1196911500 /nfs/dbraw/zinc/91/15/00/1196911500.db2.gz MMTRRZIOAGOQCI-QGZVFWFLSA-N 2 2 378.473 0.185 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000529321368 1196914454 /nfs/dbraw/zinc/91/44/54/1196914454.db2.gz NUOOUHSSXUNKKQ-IXDOHACOSA-N 2 2 382.892 0.999 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000529321368 1196914456 /nfs/dbraw/zinc/91/44/56/1196914456.db2.gz NUOOUHSSXUNKKQ-IXDOHACOSA-N 2 2 382.892 0.999 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)NC[C@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000529321370 1196914658 /nfs/dbraw/zinc/91/46/58/1196914658.db2.gz NUOOUHSSXUNKKQ-YESZJQIVSA-N 2 2 382.892 0.999 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)NC[C@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000529321370 1196914660 /nfs/dbraw/zinc/91/46/60/1196914660.db2.gz NUOOUHSSXUNKKQ-YESZJQIVSA-N 2 2 382.892 0.999 20 0 GCADLP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000529374604 1196920120 /nfs/dbraw/zinc/92/01/20/1196920120.db2.gz GEGSDRQBVSKXKE-QXAKKESOSA-N 3 2 381.565 0.953 20 0 GCADLP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000529374604 1196920121 /nfs/dbraw/zinc/92/01/21/1196920121.db2.gz GEGSDRQBVSKXKE-QXAKKESOSA-N 3 2 381.565 0.953 20 0 GCADLP COC[C@@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451332818 1196988959 /nfs/dbraw/zinc/98/89/59/1196988959.db2.gz IRDQTXFONJERFB-OXJNMPFZSA-N 2 2 390.484 0.630 20 0 GCADLP COC[C@@]1(C(=O)OC)CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451332818 1196988960 /nfs/dbraw/zinc/98/89/60/1196988960.db2.gz IRDQTXFONJERFB-OXJNMPFZSA-N 2 2 390.484 0.630 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)c2nnc3n2CCCC3)C1 ZINC000451398363 1196992152 /nfs/dbraw/zinc/99/21/52/1196992152.db2.gz DMSINUJWHCLPTH-MRXNPFEDSA-N 2 2 392.548 0.912 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)c2nnc3n2CCCC3)C1 ZINC000451398363 1196992153 /nfs/dbraw/zinc/99/21/53/1196992153.db2.gz DMSINUJWHCLPTH-MRXNPFEDSA-N 2 2 392.548 0.912 20 0 GCADLP COC[C@@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000451924156 1197026343 /nfs/dbraw/zinc/02/63/43/1197026343.db2.gz IHTCGJOAOXUVPV-NRFANRHFSA-N 2 2 375.513 0.970 20 0 GCADLP COC[C@@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000451924156 1197026347 /nfs/dbraw/zinc/02/63/47/1197026347.db2.gz IHTCGJOAOXUVPV-NRFANRHFSA-N 2 2 375.513 0.970 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)CC1 ZINC000452115549 1197039390 /nfs/dbraw/zinc/03/93/90/1197039390.db2.gz KPIZJZRDBQRFTL-CVEARBPZSA-N 2 2 399.499 0.369 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)CC1 ZINC000452115549 1197039395 /nfs/dbraw/zinc/03/93/95/1197039395.db2.gz KPIZJZRDBQRFTL-CVEARBPZSA-N 2 2 399.499 0.369 20 0 GCADLP C[NH+]1CCN(CCCCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000531050074 1197042634 /nfs/dbraw/zinc/04/26/34/1197042634.db2.gz RJNPGDHMBCMGBF-UHFFFAOYSA-N 2 2 388.560 0.738 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000122937979 1197071221 /nfs/dbraw/zinc/07/12/21/1197071221.db2.gz JWUXZEYKWLDOAH-KRWDZBQOSA-N 2 2 387.528 0.915 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000122937979 1197071227 /nfs/dbraw/zinc/07/12/27/1197071227.db2.gz JWUXZEYKWLDOAH-KRWDZBQOSA-N 2 2 387.528 0.915 20 0 GCADLP COCCNS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655728901 1197099200 /nfs/dbraw/zinc/09/92/00/1197099200.db2.gz ZXIJGLHKNOXLMG-SFHVURJKSA-N 2 2 397.541 0.954 20 0 GCADLP C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C[NH+](C)C ZINC000645558657 1197151021 /nfs/dbraw/zinc/15/10/21/1197151021.db2.gz KBBQMBPIKKZIOV-HNNXBMFYSA-N 2 2 389.500 0.327 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC000986324106 1197165401 /nfs/dbraw/zinc/16/54/01/1197165401.db2.gz NDQSAVYNNAEIJA-ZJPYXAASSA-N 2 2 389.500 0.218 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC000986324106 1197165403 /nfs/dbraw/zinc/16/54/03/1197165403.db2.gz NDQSAVYNNAEIJA-ZJPYXAASSA-N 2 2 389.500 0.218 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)O1 ZINC000986325313 1197165740 /nfs/dbraw/zinc/16/57/40/1197165740.db2.gz VODBCENDPMZJLU-ZJPYXAASSA-N 2 2 389.500 0.299 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)O1 ZINC000986325313 1197165742 /nfs/dbraw/zinc/16/57/42/1197165742.db2.gz VODBCENDPMZJLU-ZJPYXAASSA-N 2 2 389.500 0.299 20 0 GCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)c2)CC1 ZINC000173215043 1197176139 /nfs/dbraw/zinc/17/61/39/1197176139.db2.gz YENYFNHGFQNOJO-FQEVSTJZSA-N 2 2 397.523 0.845 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000174499590 1197181102 /nfs/dbraw/zinc/18/11/02/1197181102.db2.gz BMMWYAGHBZYIEG-GUDVDZBRSA-N 2 2 392.544 0.642 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000174499590 1197181105 /nfs/dbraw/zinc/18/11/05/1197181105.db2.gz BMMWYAGHBZYIEG-GUDVDZBRSA-N 2 2 392.544 0.642 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000177249670 1197189381 /nfs/dbraw/zinc/18/93/81/1197189381.db2.gz HBAUSIQIAOAJKO-FQEVSTJZSA-N 2 2 390.528 0.986 20 0 GCADLP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000177441928 1197189921 /nfs/dbraw/zinc/18/99/21/1197189921.db2.gz FBSCYZGRNUOWKY-QGZVFWFLSA-N 2 2 392.544 0.690 20 0 GCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178249339 1197193315 /nfs/dbraw/zinc/19/33/15/1197193315.db2.gz ZKUWQPNZVHQMPG-ZWKOTPCHSA-N 2 2 392.544 0.690 20 0 GCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178249339 1197193317 /nfs/dbraw/zinc/19/33/17/1197193317.db2.gz ZKUWQPNZVHQMPG-ZWKOTPCHSA-N 2 2 392.544 0.690 20 0 GCADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181023008 1197203259 /nfs/dbraw/zinc/20/32/59/1197203259.db2.gz VVWMNVIPFJGQHY-ROUUACIJSA-N 2 2 380.533 0.690 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000182820062 1197207608 /nfs/dbraw/zinc/20/76/08/1197207608.db2.gz TZYJVWIFCAJJDG-NVXWUHKLSA-N 2 2 386.562 0.621 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000182820062 1197207609 /nfs/dbraw/zinc/20/76/09/1197207609.db2.gz TZYJVWIFCAJJDG-NVXWUHKLSA-N 2 2 386.562 0.621 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000986694757 1197219206 /nfs/dbraw/zinc/21/92/06/1197219206.db2.gz NMWODXOJXANGDN-XMTFNYHQSA-N 2 2 385.512 0.926 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000666239742 1197250987 /nfs/dbraw/zinc/25/09/87/1197250987.db2.gz LKTLUBQSAGDOEG-GOSISDBHSA-N 2 2 392.504 0.278 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000666239742 1197250989 /nfs/dbraw/zinc/25/09/89/1197250989.db2.gz LKTLUBQSAGDOEG-GOSISDBHSA-N 2 2 392.504 0.278 20 0 GCADLP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000532428941 1197294412 /nfs/dbraw/zinc/29/44/12/1197294412.db2.gz OXVWEXWKMVBWRJ-MOPGFXCFSA-N 2 2 381.565 0.957 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)S(C)(=O)=O ZINC000111243438 1197331839 /nfs/dbraw/zinc/33/18/39/1197331839.db2.gz ZRBZWCURFXIORY-UHFFFAOYSA-N 2 2 385.534 0.696 20 0 GCADLP CC(C)[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[NH+](C)C ZINC000112503669 1197334936 /nfs/dbraw/zinc/33/49/36/1197334936.db2.gz ALYSXRKJUAXGTG-VQIMIIECSA-N 2 2 390.532 0.984 20 0 GCADLP CC(C)[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[NH+](C)C ZINC000112503669 1197334940 /nfs/dbraw/zinc/33/49/40/1197334940.db2.gz ALYSXRKJUAXGTG-VQIMIIECSA-N 2 2 390.532 0.984 20 0 GCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332817586 1197344314 /nfs/dbraw/zinc/34/43/14/1197344314.db2.gz OGZMTQAWUXVYEA-ZIFCJYIRSA-N 2 2 380.533 0.992 20 0 GCADLP O=C(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643476531 1197350004 /nfs/dbraw/zinc/35/00/04/1197350004.db2.gz IIIIMXNDMMJEOT-CEXWTWQISA-N 2 2 392.544 0.548 20 0 GCADLP C[C@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000536544461 1197356682 /nfs/dbraw/zinc/35/66/82/1197356682.db2.gz IQWFVEUKAFHFNT-DOTOQJQBSA-N 2 2 377.537 0.654 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000425647081 1197358242 /nfs/dbraw/zinc/35/82/42/1197358242.db2.gz CSNWWYNZFLUTJY-UHFFFAOYSA-N 2 2 394.520 0.790 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCNC(=O)c3cccnc3)CC2)CC1 ZINC000127502746 1197361110 /nfs/dbraw/zinc/36/11/10/1197361110.db2.gz LPZABXIQKCHEMA-UHFFFAOYSA-N 2 2 388.516 0.669 20 0 GCADLP Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000459382252 1197401355 /nfs/dbraw/zinc/40/13/55/1197401355.db2.gz SPJQFTFBNPCXSM-UHFFFAOYSA-N 2 2 391.541 0.867 20 0 GCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000105162859 1197403081 /nfs/dbraw/zinc/40/30/81/1197403081.db2.gz YDIZCYALJAXQOL-KRWDZBQOSA-N 2 2 375.521 0.630 20 0 GCADLP CC[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000105162859 1197403083 /nfs/dbraw/zinc/40/30/83/1197403083.db2.gz YDIZCYALJAXQOL-KRWDZBQOSA-N 2 2 375.521 0.630 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000245562308 1197411098 /nfs/dbraw/zinc/41/10/98/1197411098.db2.gz CMUXRPBQIJHKMK-IAGOWNOFSA-N 2 2 399.561 0.942 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000245562308 1197411100 /nfs/dbraw/zinc/41/11/00/1197411100.db2.gz CMUXRPBQIJHKMK-IAGOWNOFSA-N 2 2 399.561 0.942 20 0 GCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000245932629 1197439787 /nfs/dbraw/zinc/43/97/87/1197439787.db2.gz QOJFPBPLVAZJDO-MSOLQXFVSA-N 2 2 380.533 0.500 20 0 GCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000245932629 1197439789 /nfs/dbraw/zinc/43/97/89/1197439789.db2.gz QOJFPBPLVAZJDO-MSOLQXFVSA-N 2 2 380.533 0.500 20 0 GCADLP CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000533649046 1197464798 /nfs/dbraw/zinc/46/47/98/1197464798.db2.gz PAHFOWNCVDOSAI-BZSNNMDCSA-N 2 2 395.548 0.162 20 0 GCADLP CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000533649046 1197464800 /nfs/dbraw/zinc/46/48/00/1197464800.db2.gz PAHFOWNCVDOSAI-BZSNNMDCSA-N 2 2 395.548 0.162 20 0 GCADLP CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650371 1197464857 /nfs/dbraw/zinc/46/48/57/1197464857.db2.gz YSKJEWHWGKRIIV-KGLIPLIRSA-N 2 2 392.504 0.879 20 0 GCADLP CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650371 1197464860 /nfs/dbraw/zinc/46/48/60/1197464860.db2.gz YSKJEWHWGKRIIV-KGLIPLIRSA-N 2 2 392.504 0.879 20 0 GCADLP CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000533649048 1197464981 /nfs/dbraw/zinc/46/49/81/1197464981.db2.gz PAHFOWNCVDOSAI-OKZBNKHCSA-N 2 2 395.548 0.162 20 0 GCADLP CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000533649048 1197464983 /nfs/dbraw/zinc/46/49/83/1197464983.db2.gz PAHFOWNCVDOSAI-OKZBNKHCSA-N 2 2 395.548 0.162 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246348494 1197465312 /nfs/dbraw/zinc/46/53/12/1197465312.db2.gz NETSNISCKKXGPE-FGTMMUONSA-N 2 2 379.549 0.071 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246348494 1197465315 /nfs/dbraw/zinc/46/53/15/1197465315.db2.gz NETSNISCKKXGPE-FGTMMUONSA-N 2 2 379.549 0.071 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246348504 1197465379 /nfs/dbraw/zinc/46/53/79/1197465379.db2.gz NETSNISCKKXGPE-OKZBNKHCSA-N 2 2 379.549 0.071 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246348504 1197465380 /nfs/dbraw/zinc/46/53/80/1197465380.db2.gz NETSNISCKKXGPE-OKZBNKHCSA-N 2 2 379.549 0.071 20 0 GCADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)S(C)(=O)=O ZINC000246576932 1197472821 /nfs/dbraw/zinc/47/28/21/1197472821.db2.gz LRRSKWCPDZRJDE-RDJZCZTQSA-N 2 2 386.562 0.333 20 0 GCADLP CN(CCCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)S(C)(=O)=O ZINC000246576932 1197472823 /nfs/dbraw/zinc/47/28/23/1197472823.db2.gz LRRSKWCPDZRJDE-RDJZCZTQSA-N 2 2 386.562 0.333 20 0 GCADLP CN(CCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)S(C)(=O)=O ZINC000246576932 1197472824 /nfs/dbraw/zinc/47/28/24/1197472824.db2.gz LRRSKWCPDZRJDE-RDJZCZTQSA-N 2 2 386.562 0.333 20 0 GCADLP CN(CCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)S(C)(=O)=O ZINC000246576932 1197472826 /nfs/dbraw/zinc/47/28/26/1197472826.db2.gz LRRSKWCPDZRJDE-RDJZCZTQSA-N 2 2 386.562 0.333 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000248186652 1197478520 /nfs/dbraw/zinc/47/85/20/1197478520.db2.gz XLEQBROTBCDQEX-MJGOQNOKSA-N 2 2 379.476 0.942 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000248186652 1197478524 /nfs/dbraw/zinc/47/85/24/1197478524.db2.gz XLEQBROTBCDQEX-MJGOQNOKSA-N 2 2 379.476 0.942 20 0 GCADLP O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000248393354 1197479058 /nfs/dbraw/zinc/47/90/58/1197479058.db2.gz LOYXQHIYHDYLNL-VQTJNVASSA-N 2 2 383.492 0.912 20 0 GCADLP O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000248393354 1197479061 /nfs/dbraw/zinc/47/90/61/1197479061.db2.gz LOYXQHIYHDYLNL-VQTJNVASSA-N 2 2 383.492 0.912 20 0 GCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000076323622 1197480668 /nfs/dbraw/zinc/48/06/68/1197480668.db2.gz KYSKJCFFYFYMJG-GOSISDBHSA-N 2 2 379.505 0.947 20 0 GCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000249831172 1197483376 /nfs/dbraw/zinc/48/33/76/1197483376.db2.gz OERCGKIOGHWCDW-RDGPPVDQSA-N 2 2 394.560 0.650 20 0 GCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000249831172 1197483380 /nfs/dbraw/zinc/48/33/80/1197483380.db2.gz OERCGKIOGHWCDW-RDGPPVDQSA-N 2 2 394.560 0.650 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000988757787 1197505302 /nfs/dbraw/zinc/50/53/02/1197505302.db2.gz YLBHVJIXZABXTL-LNCBFAARSA-N 2 2 393.488 0.175 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000988757787 1197505306 /nfs/dbraw/zinc/50/53/06/1197505306.db2.gz YLBHVJIXZABXTL-LNCBFAARSA-N 2 2 393.488 0.175 20 0 GCADLP O=C(NCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[C@H]1CCC[NH2+]1 ZINC000261768185 1197513915 /nfs/dbraw/zinc/51/39/15/1197513915.db2.gz PAHLDJMYDWPUMV-QGZVFWFLSA-N 2 2 385.468 0.980 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262563415 1197535122 /nfs/dbraw/zinc/53/51/22/1197535122.db2.gz ZGCMWSCMQKIIDG-VXNCWWDNSA-N 2 2 380.533 0.543 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000989067332 1197545266 /nfs/dbraw/zinc/54/52/66/1197545266.db2.gz XGTRPTGKKMGNDI-AHEZYBDSSA-N 2 2 389.500 0.586 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000989067332 1197545271 /nfs/dbraw/zinc/54/52/71/1197545271.db2.gz XGTRPTGKKMGNDI-AHEZYBDSSA-N 2 2 389.500 0.586 20 0 GCADLP [NH3+]C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000429756742 1197554327 /nfs/dbraw/zinc/55/43/27/1197554327.db2.gz IHJSJJALEBOTKU-UHFFFAOYSA-N 2 2 384.477 0.082 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000265717762 1198986179 /nfs/dbraw/zinc/98/61/79/1198986179.db2.gz FQJJDMHXTAJAEG-UXHICEINSA-N 2 2 390.528 0.950 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000265717762 1198986185 /nfs/dbraw/zinc/98/61/85/1198986185.db2.gz FQJJDMHXTAJAEG-UXHICEINSA-N 2 2 390.528 0.950 20 0 GCADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000672003665 1198996912 /nfs/dbraw/zinc/99/69/12/1198996912.db2.gz STTQHKLVGVRLCU-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000672003665 1198996917 /nfs/dbraw/zinc/99/69/17/1198996917.db2.gz STTQHKLVGVRLCU-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000672003665 1198996921 /nfs/dbraw/zinc/99/69/21/1198996921.db2.gz STTQHKLVGVRLCU-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000672003665 1198996924 /nfs/dbraw/zinc/99/69/24/1198996924.db2.gz STTQHKLVGVRLCU-KRWDZBQOSA-N 2 2 376.501 0.414 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009473 1199001438 /nfs/dbraw/zinc/00/14/38/1199001438.db2.gz IDOUWYAVLRHBQL-NVXWUHKLSA-N 3 2 379.549 0.118 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009473 1199001445 /nfs/dbraw/zinc/00/14/45/1199001445.db2.gz IDOUWYAVLRHBQL-NVXWUHKLSA-N 3 2 379.549 0.118 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009476 1199001657 /nfs/dbraw/zinc/00/16/57/1199001657.db2.gz IDOUWYAVLRHBQL-WBVHZDCISA-N 3 2 379.549 0.118 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009476 1199001660 /nfs/dbraw/zinc/00/16/60/1199001660.db2.gz IDOUWYAVLRHBQL-WBVHZDCISA-N 3 2 379.549 0.118 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672014717 1199004732 /nfs/dbraw/zinc/00/47/32/1199004732.db2.gz OUZHOJLHHPURLR-WMZOPIPTSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)C1CC[NH+](C)CC1 ZINC000672013448 1199005445 /nfs/dbraw/zinc/00/54/45/1199005445.db2.gz DSZHMTFKIXLDCB-MRXNPFEDSA-N 2 2 390.532 0.301 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C1CC[NH+](C)CC1 ZINC000672013448 1199005454 /nfs/dbraw/zinc/00/54/54/1199005454.db2.gz DSZHMTFKIXLDCB-MRXNPFEDSA-N 2 2 390.532 0.301 20 0 GCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795008 1199006868 /nfs/dbraw/zinc/00/68/68/1199006868.db2.gz AQRCNEPOGFAHAS-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795008 1199006876 /nfs/dbraw/zinc/00/68/76/1199006876.db2.gz AQRCNEPOGFAHAS-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795008 1199006881 /nfs/dbraw/zinc/00/68/81/1199006881.db2.gz AQRCNEPOGFAHAS-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795008 1199006889 /nfs/dbraw/zinc/00/68/89/1199006889.db2.gz AQRCNEPOGFAHAS-WCIQWLHISA-N 2 2 384.480 0.990 20 0 GCADLP COC(=O)COc1ccccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000921747747 1199089313 /nfs/dbraw/zinc/08/93/13/1199089313.db2.gz RXKLFTMPEHSKJL-SFHVURJKSA-N 2 2 377.485 0.735 20 0 GCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000672165806 1199150171 /nfs/dbraw/zinc/15/01/71/1199150171.db2.gz GDBWVDWQGGUVBP-IBGZPJMESA-N 2 2 388.512 0.906 20 0 GCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000672165806 1199150173 /nfs/dbraw/zinc/15/01/73/1199150173.db2.gz GDBWVDWQGGUVBP-IBGZPJMESA-N 2 2 388.512 0.906 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C1CC1 ZINC000672206936 1199160141 /nfs/dbraw/zinc/16/01/41/1199160141.db2.gz AXCOYTODSOXOQE-QAPCUYQASA-N 3 2 379.549 0.212 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C1CC1 ZINC000672206936 1199160144 /nfs/dbraw/zinc/16/01/44/1199160144.db2.gz AXCOYTODSOXOQE-QAPCUYQASA-N 3 2 379.549 0.212 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206936 1199160148 /nfs/dbraw/zinc/16/01/48/1199160148.db2.gz AXCOYTODSOXOQE-QAPCUYQASA-N 3 2 379.549 0.212 20 0 GCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206936 1199160152 /nfs/dbraw/zinc/16/01/52/1199160152.db2.gz AXCOYTODSOXOQE-QAPCUYQASA-N 3 2 379.549 0.212 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCN(C)CC1 ZINC000656288361 1199161269 /nfs/dbraw/zinc/16/12/69/1199161269.db2.gz AYHQHYLJZHJBDR-QRVBRYPASA-N 2 2 393.576 0.508 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000672358615 1199218475 /nfs/dbraw/zinc/21/84/75/1199218475.db2.gz IVXZHPZWAFRJMU-QGZVFWFLSA-N 2 2 389.500 0.443 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000672358615 1199218476 /nfs/dbraw/zinc/21/84/76/1199218476.db2.gz IVXZHPZWAFRJMU-QGZVFWFLSA-N 2 2 389.500 0.443 20 0 GCADLP Cc1nc(C)c(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672487543 1199245181 /nfs/dbraw/zinc/24/51/81/1199245181.db2.gz OCBRIFKJRRCKFB-HNNXBMFYSA-N 2 2 393.557 0.703 20 0 GCADLP Cc1nc(C)c(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672487543 1199245183 /nfs/dbraw/zinc/24/51/83/1199245183.db2.gz OCBRIFKJRRCKFB-HNNXBMFYSA-N 2 2 393.557 0.703 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672593336 1199276402 /nfs/dbraw/zinc/27/64/02/1199276402.db2.gz OLTOPHNUNIJRCC-RYRKJORJSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672593336 1199276405 /nfs/dbraw/zinc/27/64/05/1199276405.db2.gz OLTOPHNUNIJRCC-RYRKJORJSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000672593336 1199276408 /nfs/dbraw/zinc/27/64/08/1199276408.db2.gz OLTOPHNUNIJRCC-RYRKJORJSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000672593336 1199276411 /nfs/dbraw/zinc/27/64/11/1199276411.db2.gz OLTOPHNUNIJRCC-RYRKJORJSA-N 3 2 379.549 0.212 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1Cc2ccccc2C1 ZINC000672637376 1199287381 /nfs/dbraw/zinc/28/73/81/1199287381.db2.gz GEYDORDQROSSQZ-SFHVURJKSA-N 2 2 384.524 0.897 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1Cc2ccccc2C1 ZINC000672637376 1199287384 /nfs/dbraw/zinc/28/73/84/1199287384.db2.gz GEYDORDQROSSQZ-SFHVURJKSA-N 2 2 384.524 0.897 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCC(CO)CC1 ZINC000672638474 1199288422 /nfs/dbraw/zinc/28/84/22/1199288422.db2.gz QNZNXWFVNYZJOL-CGZBRXJRSA-N 2 2 380.533 0.281 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCC(CO)CC1 ZINC000672638474 1199288426 /nfs/dbraw/zinc/28/84/26/1199288426.db2.gz QNZNXWFVNYZJOL-CGZBRXJRSA-N 2 2 380.533 0.281 20 0 GCADLP CN(CCc1nccs1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637367 1199288496 /nfs/dbraw/zinc/28/84/96/1199288496.db2.gz FWJVWCAQSJBOIJ-AWEZNQCLSA-N 2 2 379.530 0.429 20 0 GCADLP CN(CCc1nccs1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637367 1199288502 /nfs/dbraw/zinc/28/85/02/1199288502.db2.gz FWJVWCAQSJBOIJ-AWEZNQCLSA-N 2 2 379.530 0.429 20 0 GCADLP Cc1noc(C)c1[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638382 1199288557 /nfs/dbraw/zinc/28/85/57/1199288557.db2.gz GEXOUIYNORXPGG-XJKSGUPXSA-N 2 2 391.516 0.796 20 0 GCADLP Cc1noc(C)c1[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638382 1199288564 /nfs/dbraw/zinc/28/85/64/1199288564.db2.gz GEXOUIYNORXPGG-XJKSGUPXSA-N 2 2 391.516 0.796 20 0 GCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638511 1199289224 /nfs/dbraw/zinc/28/92/24/1199289224.db2.gz RSZYUZFWXQIQSV-QZTJIDSGSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638511 1199289229 /nfs/dbraw/zinc/28/92/29/1199289229.db2.gz RSZYUZFWXQIQSV-QZTJIDSGSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638511 1199289233 /nfs/dbraw/zinc/28/92/33/1199289233.db2.gz RSZYUZFWXQIQSV-QZTJIDSGSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638511 1199289237 /nfs/dbraw/zinc/28/92/37/1199289237.db2.gz RSZYUZFWXQIQSV-QZTJIDSGSA-N 3 2 393.576 0.365 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C2)CC1 ZINC000672637334 1199289528 /nfs/dbraw/zinc/28/95/28/1199289528.db2.gz FAHJCBXESLGMID-QGZVFWFLSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C2)CC1 ZINC000672637334 1199289536 /nfs/dbraw/zinc/28/95/36/1199289536.db2.gz FAHJCBXESLGMID-QGZVFWFLSA-N 3 2 391.560 0.358 20 0 GCADLP CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637770 1199290832 /nfs/dbraw/zinc/29/08/32/1199290832.db2.gz AOLXNVRTNBSULJ-ZIFCJYIRSA-N 2 2 394.560 0.981 20 0 GCADLP CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637770 1199290838 /nfs/dbraw/zinc/29/08/38/1199290838.db2.gz AOLXNVRTNBSULJ-ZIFCJYIRSA-N 2 2 394.560 0.981 20 0 GCADLP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637822 1199291508 /nfs/dbraw/zinc/29/15/08/1199291508.db2.gz CYCYKYVOXCTEMG-IXDOHACOSA-N 2 2 380.533 0.593 20 0 GCADLP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637822 1199291510 /nfs/dbraw/zinc/29/15/10/1199291510.db2.gz CYCYKYVOXCTEMG-IXDOHACOSA-N 2 2 380.533 0.593 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672639329 1199291952 /nfs/dbraw/zinc/29/19/52/1199291952.db2.gz KXWMLJJGMCISFN-GOEBONIOSA-N 2 2 378.473 0.368 20 0 GCADLP COC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672639329 1199291955 /nfs/dbraw/zinc/29/19/55/1199291955.db2.gz KXWMLJJGMCISFN-GOEBONIOSA-N 2 2 378.473 0.368 20 0 GCADLP COc1cc(C)cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672639500 1199292293 /nfs/dbraw/zinc/29/22/93/1199292293.db2.gz OPZGHGLWNFDZJA-QGZVFWFLSA-N 2 2 388.512 0.905 20 0 GCADLP COc1cc(C)cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672639500 1199292299 /nfs/dbraw/zinc/29/22/99/1199292299.db2.gz OPZGHGLWNFDZJA-QGZVFWFLSA-N 2 2 388.512 0.905 20 0 GCADLP COc1cc(C)cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672639499 1199292357 /nfs/dbraw/zinc/29/23/57/1199292357.db2.gz OPZGHGLWNFDZJA-KRWDZBQOSA-N 2 2 388.512 0.905 20 0 GCADLP COc1cc(C)cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672639499 1199292362 /nfs/dbraw/zinc/29/23/62/1199292362.db2.gz OPZGHGLWNFDZJA-KRWDZBQOSA-N 2 2 388.512 0.905 20 0 GCADLP CC(C)OC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638783 1199292985 /nfs/dbraw/zinc/29/29/85/1199292985.db2.gz WFVWKHXUVKWGGC-MRXNPFEDSA-N 2 2 380.533 0.687 20 0 GCADLP CC(C)OC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638783 1199292988 /nfs/dbraw/zinc/29/29/88/1199292988.db2.gz WFVWKHXUVKWGGC-MRXNPFEDSA-N 2 2 380.533 0.687 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640420 1199293545 /nfs/dbraw/zinc/29/35/45/1199293545.db2.gz DSHBYTKSWRQXOM-WBVHZDCISA-N 3 2 377.533 0.038 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640420 1199293550 /nfs/dbraw/zinc/29/35/50/1199293550.db2.gz DSHBYTKSWRQXOM-WBVHZDCISA-N 3 2 377.533 0.038 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640420 1199293556 /nfs/dbraw/zinc/29/35/56/1199293556.db2.gz DSHBYTKSWRQXOM-WBVHZDCISA-N 3 2 377.533 0.038 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640420 1199293560 /nfs/dbraw/zinc/29/35/60/1199293560.db2.gz DSHBYTKSWRQXOM-WBVHZDCISA-N 3 2 377.533 0.038 20 0 GCADLP COC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(C)o1 ZINC000672640387 1199293826 /nfs/dbraw/zinc/29/38/26/1199293826.db2.gz CJBKSPVQAJUOKK-WBVHZDCISA-N 2 2 392.500 0.676 20 0 GCADLP COC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(C)o1 ZINC000672640387 1199293828 /nfs/dbraw/zinc/29/38/28/1199293828.db2.gz CJBKSPVQAJUOKK-WBVHZDCISA-N 2 2 392.500 0.676 20 0 GCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640474 1199294115 /nfs/dbraw/zinc/29/41/15/1199294115.db2.gz JHTSYPCHRHCLDP-SFHVURJKSA-N 3 2 395.592 0.852 20 0 GCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640474 1199294121 /nfs/dbraw/zinc/29/41/21/1199294121.db2.gz JHTSYPCHRHCLDP-SFHVURJKSA-N 3 2 395.592 0.852 20 0 GCADLP Cc1cnc([C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640293 1199295693 /nfs/dbraw/zinc/29/56/93/1199295693.db2.gz YZIWHRAGCMHADI-DZGCQCFKSA-N 2 2 393.557 0.956 20 0 GCADLP Cc1cnc([C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640293 1199295696 /nfs/dbraw/zinc/29/56/96/1199295696.db2.gz YZIWHRAGCMHADI-DZGCQCFKSA-N 2 2 393.557 0.956 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000672640128 1199295720 /nfs/dbraw/zinc/29/57/20/1199295720.db2.gz RNKNGWOMORAGQI-HOTGVXAUSA-N 2 2 378.517 0.489 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000672640128 1199295726 /nfs/dbraw/zinc/29/57/26/1199295726.db2.gz RNKNGWOMORAGQI-HOTGVXAUSA-N 2 2 378.517 0.489 20 0 GCADLP CN(CCOc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639651 1199295841 /nfs/dbraw/zinc/29/58/41/1199295841.db2.gz MYHXDLRPAFKBAX-QGZVFWFLSA-N 2 2 388.512 0.809 20 0 GCADLP CN(CCOc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639651 1199295848 /nfs/dbraw/zinc/29/58/48/1199295848.db2.gz MYHXDLRPAFKBAX-QGZVFWFLSA-N 2 2 388.512 0.809 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccc(F)cc4C3)C2)CC1 ZINC000672639635 1199296081 /nfs/dbraw/zinc/29/60/81/1199296081.db2.gz MVDHZPRMGIVIFY-GOSISDBHSA-N 2 2 388.487 0.995 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccc(F)cc4C3)C2)CC1 ZINC000672639635 1199296086 /nfs/dbraw/zinc/29/60/86/1199296086.db2.gz MVDHZPRMGIVIFY-GOSISDBHSA-N 2 2 388.487 0.995 20 0 GCADLP CN(Cc1cc(Cl)cn1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640688 1199297802 /nfs/dbraw/zinc/29/78/02/1199297802.db2.gz GJFVETIXHMQURD-OAHLLOKOSA-N 2 2 395.935 0.922 20 0 GCADLP CN(Cc1cc(Cl)cn1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640688 1199297805 /nfs/dbraw/zinc/29/78/05/1199297805.db2.gz GJFVETIXHMQURD-OAHLLOKOSA-N 2 2 395.935 0.922 20 0 GCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641115 1199298309 /nfs/dbraw/zinc/29/83/09/1199298309.db2.gz NFAZVRVHSABKJJ-QGZVFWFLSA-N 2 2 390.532 0.373 20 0 GCADLP CN(CCC1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642201 1199299747 /nfs/dbraw/zinc/29/97/47/1199299747.db2.gz YYSRXALPILVBPV-KRWDZBQOSA-N 2 2 380.533 0.546 20 0 GCADLP CN(CCC1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642201 1199299751 /nfs/dbraw/zinc/29/97/51/1199299751.db2.gz YYSRXALPILVBPV-KRWDZBQOSA-N 2 2 380.533 0.546 20 0 GCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642479 1199300239 /nfs/dbraw/zinc/30/02/39/1199300239.db2.gz BMQDISWDHHQYCN-DLBZAZTESA-N 3 2 379.549 0.260 20 0 GCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642479 1199300245 /nfs/dbraw/zinc/30/02/45/1199300245.db2.gz BMQDISWDHHQYCN-DLBZAZTESA-N 3 2 379.549 0.260 20 0 GCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672642504 1199300367 /nfs/dbraw/zinc/30/03/67/1199300367.db2.gz MSCRGSLXOQOOLT-RYRKJORJSA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672642504 1199300374 /nfs/dbraw/zinc/30/03/74/1199300374.db2.gz MSCRGSLXOQOOLT-RYRKJORJSA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642504 1199300379 /nfs/dbraw/zinc/30/03/79/1199300379.db2.gz MSCRGSLXOQOOLT-RYRKJORJSA-N 3 2 379.549 0.070 20 0 GCADLP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642504 1199300385 /nfs/dbraw/zinc/30/03/85/1199300385.db2.gz MSCRGSLXOQOOLT-RYRKJORJSA-N 3 2 379.549 0.070 20 0 GCADLP CN(Cc1nccn1C(F)F)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642412 1199300689 /nfs/dbraw/zinc/30/06/89/1199300689.db2.gz JNIYXJRSCSCNSF-ZDUSSCGKSA-N 2 2 398.458 0.521 20 0 GCADLP CN(Cc1nccn1C(F)F)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642412 1199300693 /nfs/dbraw/zinc/30/06/93/1199300693.db2.gz JNIYXJRSCSCNSF-ZDUSSCGKSA-N 2 2 398.458 0.521 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)C2)CC1 ZINC000672642090 1199300988 /nfs/dbraw/zinc/30/09/88/1199300988.db2.gz XMTYJSQADQIBOY-ZACQAIPSSA-N 2 2 378.517 0.156 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)C2)CC1 ZINC000672642090 1199300992 /nfs/dbraw/zinc/30/09/92/1199300992.db2.gz XMTYJSQADQIBOY-ZACQAIPSSA-N 2 2 378.517 0.156 20 0 GCADLP CCn1cc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672642025 1199301232 /nfs/dbraw/zinc/30/12/32/1199301232.db2.gz WJIVZZAIAHMHQY-INIZCTEOSA-N 2 2 376.505 0.146 20 0 GCADLP CCn1cc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672642025 1199301238 /nfs/dbraw/zinc/30/12/38/1199301238.db2.gz WJIVZZAIAHMHQY-INIZCTEOSA-N 2 2 376.505 0.146 20 0 GCADLP Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641582 1199301603 /nfs/dbraw/zinc/30/16/03/1199301603.db2.gz RNPUVZSGZHSGNE-SWLSCSKDSA-N 2 2 377.489 0.753 20 0 GCADLP Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641582 1199301608 /nfs/dbraw/zinc/30/16/08/1199301608.db2.gz RNPUVZSGZHSGNE-SWLSCSKDSA-N 2 2 377.489 0.753 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643215 1199302265 /nfs/dbraw/zinc/30/22/65/1199302265.db2.gz UWSKIVAZRVJUEF-SCTDSRPQSA-N 3 2 393.576 0.602 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643215 1199302269 /nfs/dbraw/zinc/30/22/69/1199302269.db2.gz UWSKIVAZRVJUEF-SCTDSRPQSA-N 3 2 393.576 0.602 20 0 GCADLP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643215 1199302271 /nfs/dbraw/zinc/30/22/71/1199302271.db2.gz UWSKIVAZRVJUEF-SCTDSRPQSA-N 3 2 393.576 0.602 20 0 GCADLP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643215 1199302278 /nfs/dbraw/zinc/30/22/78/1199302278.db2.gz UWSKIVAZRVJUEF-SCTDSRPQSA-N 3 2 393.576 0.602 20 0 GCADLP CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641710 1199302689 /nfs/dbraw/zinc/30/26/89/1199302689.db2.gz SMEHARHQFDXEPI-UWJYYQICSA-N 2 2 394.560 0.671 20 0 GCADLP CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641710 1199302694 /nfs/dbraw/zinc/30/26/94/1199302694.db2.gz SMEHARHQFDXEPI-UWJYYQICSA-N 2 2 394.560 0.671 20 0 GCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641799 1199303192 /nfs/dbraw/zinc/30/31/92/1199303192.db2.gz XKQLQOFDQNIGIG-IRXDYDNUSA-N 3 2 379.549 0.071 20 0 GCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641799 1199303195 /nfs/dbraw/zinc/30/31/95/1199303195.db2.gz XKQLQOFDQNIGIG-IRXDYDNUSA-N 3 2 379.549 0.071 20 0 GCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641799 1199303202 /nfs/dbraw/zinc/30/32/02/1199303202.db2.gz XKQLQOFDQNIGIG-IRXDYDNUSA-N 3 2 379.549 0.071 20 0 GCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641799 1199303208 /nfs/dbraw/zinc/30/32/08/1199303208.db2.gz XKQLQOFDQNIGIG-IRXDYDNUSA-N 3 2 379.549 0.071 20 0 GCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641630 1199303631 /nfs/dbraw/zinc/30/36/31/1199303631.db2.gz VAKNNIAAJMWZEE-MRXNPFEDSA-N 3 2 379.549 0.214 20 0 GCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641630 1199303634 /nfs/dbraw/zinc/30/36/34/1199303634.db2.gz VAKNNIAAJMWZEE-MRXNPFEDSA-N 3 2 379.549 0.214 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643051 1199304776 /nfs/dbraw/zinc/30/47/76/1199304776.db2.gz NNLLWSQBRZWBBZ-IEBWSBKVSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643051 1199304779 /nfs/dbraw/zinc/30/47/79/1199304779.db2.gz NNLLWSQBRZWBBZ-IEBWSBKVSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC([C@@H]4CCCO4)CC3)C2)CC1 ZINC000672643026 1199304818 /nfs/dbraw/zinc/30/48/18/1199304818.db2.gz NBLKSXJJXVIYQD-HKUYNNGSSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC([C@@H]4CCCO4)CC3)C2)CC1 ZINC000672643026 1199304825 /nfs/dbraw/zinc/30/48/25/1199304825.db2.gz NBLKSXJJXVIYQD-HKUYNNGSSA-N 2 2 392.544 0.689 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOCC4(CCC4)C3)C2)CC1 ZINC000672642755 1199306215 /nfs/dbraw/zinc/30/62/15/1199306215.db2.gz HGJNYPXQLZAORJ-INIZCTEOSA-N 2 2 378.517 0.300 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOCC4(CCC4)C3)C2)CC1 ZINC000672642755 1199306216 /nfs/dbraw/zinc/30/62/16/1199306216.db2.gz HGJNYPXQLZAORJ-INIZCTEOSA-N 2 2 378.517 0.300 20 0 GCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)C1 ZINC001002836118 1199307743 /nfs/dbraw/zinc/30/77/43/1199307743.db2.gz TYXQVNYNUBJJCL-WCXIOVBPSA-N 2 2 375.473 0.160 20 0 GCADLP CC[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)C1 ZINC001002836118 1199307745 /nfs/dbraw/zinc/30/77/45/1199307745.db2.gz TYXQVNYNUBJJCL-WCXIOVBPSA-N 2 2 375.473 0.160 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000672695643 1199316155 /nfs/dbraw/zinc/31/61/55/1199316155.db2.gz GUMKCRRENTYLFX-KRWDZBQOSA-N 3 2 381.565 0.461 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000672695643 1199316157 /nfs/dbraw/zinc/31/61/57/1199316157.db2.gz GUMKCRRENTYLFX-KRWDZBQOSA-N 3 2 381.565 0.461 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000672822546 1199342012 /nfs/dbraw/zinc/34/20/12/1199342012.db2.gz SQKMKJPKWKZPGN-QGZVFWFLSA-N 2 2 389.500 0.333 20 0 GCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000672822546 1199342019 /nfs/dbraw/zinc/34/20/19/1199342019.db2.gz SQKMKJPKWKZPGN-QGZVFWFLSA-N 2 2 389.500 0.333 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672980081 1199385043 /nfs/dbraw/zinc/38/50/43/1199385043.db2.gz PURACGKRXULBJP-QGZVFWFLSA-N 3 2 379.549 0.214 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672980081 1199385052 /nfs/dbraw/zinc/38/50/52/1199385052.db2.gz PURACGKRXULBJP-QGZVFWFLSA-N 3 2 379.549 0.214 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000499639225 1199388686 /nfs/dbraw/zinc/38/86/86/1199388686.db2.gz CTMREGHIMOFUKM-WMZOPIPTSA-N 2 2 398.511 0.435 20 0 GCADLP CCCC[C@@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673068421 1199409304 /nfs/dbraw/zinc/40/93/04/1199409304.db2.gz XBPZYBDKPPFTQQ-FUHWJXTLSA-N 2 2 382.549 0.935 20 0 GCADLP CCCC[C@@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673068421 1199409308 /nfs/dbraw/zinc/40/93/08/1199409308.db2.gz XBPZYBDKPPFTQQ-FUHWJXTLSA-N 2 2 382.549 0.935 20 0 GCADLP CN(C(=O)C(=O)NCC[C@H]1CCCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673113522 1199429841 /nfs/dbraw/zinc/42/98/41/1199429841.db2.gz XMHHLRYISDIDIH-ZWKOTPCHSA-N 2 2 380.533 0.689 20 0 GCADLP CN(C(=O)C(=O)NCC[C@H]1CCCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673113522 1199429846 /nfs/dbraw/zinc/42/98/46/1199429846.db2.gz XMHHLRYISDIDIH-ZWKOTPCHSA-N 2 2 380.533 0.689 20 0 GCADLP Cc1cc(O)cc(=O)n1CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682158625 1199446864 /nfs/dbraw/zinc/44/68/64/1199446864.db2.gz PFJWMHQSZUDFQH-QGZVFWFLSA-N 2 2 376.501 0.879 20 0 GCADLP Cc1cc(O)cc(=O)n1CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682158625 1199446865 /nfs/dbraw/zinc/44/68/65/1199446865.db2.gz PFJWMHQSZUDFQH-QGZVFWFLSA-N 2 2 376.501 0.879 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673284428 1199520369 /nfs/dbraw/zinc/52/03/69/1199520369.db2.gz XEGHCSUHSGJMNR-APWZRJJASA-N 2 2 386.496 0.470 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673284428 1199520373 /nfs/dbraw/zinc/52/03/73/1199520373.db2.gz XEGHCSUHSGJMNR-APWZRJJASA-N 2 2 386.496 0.470 20 0 GCADLP C[C@@H](CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000673307574 1199529121 /nfs/dbraw/zinc/52/91/21/1199529121.db2.gz GXOLXJMIHXNIQY-ZWKOTPCHSA-N 2 2 380.533 0.690 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000673326298 1199540809 /nfs/dbraw/zinc/54/08/09/1199540809.db2.gz VGNQEMUYZAHVHY-UKBAYJJMSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000673326298 1199540813 /nfs/dbraw/zinc/54/08/13/1199540813.db2.gz VGNQEMUYZAHVHY-UKBAYJJMSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000673326298 1199540817 /nfs/dbraw/zinc/54/08/17/1199540817.db2.gz VGNQEMUYZAHVHY-UKBAYJJMSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673326298 1199540819 /nfs/dbraw/zinc/54/08/19/1199540819.db2.gz VGNQEMUYZAHVHY-UKBAYJJMSA-N 2 2 388.512 0.601 20 0 GCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCO1 ZINC000673428095 1199630490 /nfs/dbraw/zinc/63/04/90/1199630490.db2.gz XAZNMQVQNANDBI-DLBZAZTESA-N 2 2 377.489 0.664 20 0 GCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCO1 ZINC000673428095 1199630493 /nfs/dbraw/zinc/63/04/93/1199630493.db2.gz XAZNMQVQNANDBI-DLBZAZTESA-N 2 2 377.489 0.664 20 0 GCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)no1 ZINC001003807406 1199675534 /nfs/dbraw/zinc/67/55/34/1199675534.db2.gz DDJOWPVVYMSZBX-UNEWFSDZSA-N 2 2 375.473 0.694 20 0 GCADLP CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2)[NH+](C)C ZINC001003808265 1199675625 /nfs/dbraw/zinc/67/56/25/1199675625.db2.gz KVBLAMNEJVCSKG-IRWJRLHMSA-N 2 2 377.489 0.938 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673473047 1199690787 /nfs/dbraw/zinc/69/07/87/1199690787.db2.gz UEGSKXUMPBQYBR-WDSOQIARSA-N 2 2 392.544 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673473047 1199690790 /nfs/dbraw/zinc/69/07/90/1199690790.db2.gz UEGSKXUMPBQYBR-WDSOQIARSA-N 2 2 392.544 0.687 20 0 GCADLP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000922342824 1199735504 /nfs/dbraw/zinc/73/55/04/1199735504.db2.gz IQCVJPHNUDKDDA-HXUWFJFHSA-N 2 2 395.592 0.315 20 0 GCADLP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000922342824 1199735508 /nfs/dbraw/zinc/73/55/08/1199735508.db2.gz IQCVJPHNUDKDDA-HXUWFJFHSA-N 2 2 395.592 0.315 20 0 GCADLP COCC[NH+]1CCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000261385792 1199777713 /nfs/dbraw/zinc/77/77/13/1199777713.db2.gz BPOGVYZEMVLWMS-FQEVSTJZSA-N 2 2 389.544 0.949 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001004214466 1199817376 /nfs/dbraw/zinc/81/73/76/1199817376.db2.gz BSUNTEMZVNAURP-AHCXZYCDSA-N 2 2 382.468 0.899 20 0 GCADLP CCO[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000156014930 1199881881 /nfs/dbraw/zinc/88/18/81/1199881881.db2.gz BTKNTVFNRGLGLS-OAHLLOKOSA-N 2 2 387.488 0.513 20 0 GCADLP CCO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000156014930 1199881885 /nfs/dbraw/zinc/88/18/85/1199881885.db2.gz BTKNTVFNRGLGLS-OAHLLOKOSA-N 2 2 387.488 0.513 20 0 GCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000671415322 1199918011 /nfs/dbraw/zinc/91/80/11/1199918011.db2.gz UFVPIOLMEKAACE-QFHJOOASSA-N 2 2 388.512 0.773 20 0 GCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000671415322 1199918014 /nfs/dbraw/zinc/91/80/14/1199918014.db2.gz UFVPIOLMEKAACE-QFHJOOASSA-N 2 2 388.512 0.773 20 0 GCADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000671415322 1199918016 /nfs/dbraw/zinc/91/80/16/1199918016.db2.gz UFVPIOLMEKAACE-QFHJOOASSA-N 2 2 388.512 0.773 20 0 GCADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000671415322 1199918018 /nfs/dbraw/zinc/91/80/18/1199918018.db2.gz UFVPIOLMEKAACE-QFHJOOASSA-N 2 2 388.512 0.773 20 0 GCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000673672124 1199926772 /nfs/dbraw/zinc/92/67/72/1199926772.db2.gz BWYKPAYMEQJCSN-UXHICEINSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000673672124 1199926775 /nfs/dbraw/zinc/92/67/75/1199926775.db2.gz BWYKPAYMEQJCSN-UXHICEINSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673672124 1199926776 /nfs/dbraw/zinc/92/67/76/1199926776.db2.gz BWYKPAYMEQJCSN-UXHICEINSA-N 2 2 387.528 0.569 20 0 GCADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673672124 1199926779 /nfs/dbraw/zinc/92/67/79/1199926779.db2.gz BWYKPAYMEQJCSN-UXHICEINSA-N 2 2 387.528 0.569 20 0 GCADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000282461594 1199969093 /nfs/dbraw/zinc/96/90/93/1199969093.db2.gz JWTZPMCKFUBAJC-INIZCTEOSA-N 2 2 387.484 0.590 20 0 GCADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000282461594 1199969094 /nfs/dbraw/zinc/96/90/94/1199969094.db2.gz JWTZPMCKFUBAJC-INIZCTEOSA-N 2 2 387.484 0.590 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000657968270 1200049501 /nfs/dbraw/zinc/04/95/01/1200049501.db2.gz YKIIPSOLFPNWOR-IBGZPJMESA-N 2 2 388.512 0.510 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000657968270 1200049506 /nfs/dbraw/zinc/04/95/06/1200049506.db2.gz YKIIPSOLFPNWOR-IBGZPJMESA-N 2 2 388.512 0.510 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000172304503 1200270622 /nfs/dbraw/zinc/27/06/22/1200270622.db2.gz ZLPLSVWDTZREIO-UHFFFAOYSA-N 2 2 387.528 0.975 20 0 GCADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C(=O)N1c1cnn(C)c1 ZINC000675553358 1200432632 /nfs/dbraw/zinc/43/26/32/1200432632.db2.gz VUPFFCGAWGSBDI-WMLDXEAASA-N 2 2 384.488 0.246 20 0 GCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000675715338 1200454290 /nfs/dbraw/zinc/45/42/90/1200454290.db2.gz ZRZSZIODKCSPPM-HCXYKTFWSA-N 2 2 380.533 0.870 20 0 GCADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000675781835 1200458628 /nfs/dbraw/zinc/45/86/28/1200458628.db2.gz DAUYZLYCOQXYOJ-CQSZACIVSA-N 2 2 378.473 0.785 20 0 GCADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000675781825 1200458910 /nfs/dbraw/zinc/45/89/10/1200458910.db2.gz CNAKEDTVXWGJKJ-AWEZNQCLSA-N 2 2 378.473 0.785 20 0 GCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675781798 1200458926 /nfs/dbraw/zinc/45/89/26/1200458926.db2.gz AYUFHNGTCPCUEO-HNNXBMFYSA-N 2 2 380.514 0.651 20 0 GCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675781799 1200459353 /nfs/dbraw/zinc/45/93/53/1200459353.db2.gz AYUFHNGTCPCUEO-OAHLLOKOSA-N 2 2 380.514 0.651 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(c4nc(N)ns4)CC3)C2)CC1 ZINC000676154963 1200503984 /nfs/dbraw/zinc/50/39/84/1200503984.db2.gz VNQHBZDYMLLMNB-CYBMUJFWSA-N 2 2 394.549 0.120 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4nc(N)ns4)CC3)C2)CC1 ZINC000676154963 1200503990 /nfs/dbraw/zinc/50/39/90/1200503990.db2.gz VNQHBZDYMLLMNB-CYBMUJFWSA-N 2 2 394.549 0.120 20 0 GCADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676241854 1200513133 /nfs/dbraw/zinc/51/31/33/1200513133.db2.gz IPURJUDRPODTHT-DLBZAZTESA-N 2 2 391.520 0.007 20 0 GCADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241854 1200513137 /nfs/dbraw/zinc/51/31/37/1200513137.db2.gz IPURJUDRPODTHT-DLBZAZTESA-N 2 2 391.520 0.007 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)[C@@H]1C[NH+](C)CCO1 ZINC000676241427 1200513345 /nfs/dbraw/zinc/51/33/45/1200513345.db2.gz PLCOHJAIYLNSKV-WBAXXEDZSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)[C@@H]1C[NH+](C)CCO1 ZINC000676241427 1200513348 /nfs/dbraw/zinc/51/33/48/1200513348.db2.gz PLCOHJAIYLNSKV-WBAXXEDZSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241427 1200513359 /nfs/dbraw/zinc/51/33/59/1200513359.db2.gz PLCOHJAIYLNSKV-WBAXXEDZSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@H](NC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241427 1200513370 /nfs/dbraw/zinc/51/33/70/1200513370.db2.gz PLCOHJAIYLNSKV-WBAXXEDZSA-N 2 2 389.500 0.977 20 0 GCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000558373075 1200639901 /nfs/dbraw/zinc/63/99/01/1200639901.db2.gz PQHQRHQONYZJMR-SJORKVTESA-N 2 2 376.505 1.306 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000372644131 1200643460 /nfs/dbraw/zinc/64/34/60/1200643460.db2.gz LGIUEOGHLCIKTG-UHFFFAOYSA-N 2 2 376.465 0.617 20 0 GCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)CC1 ZINC000328883780 1200671106 /nfs/dbraw/zinc/67/11/06/1200671106.db2.gz YCNPQOROVIFVQH-GOSISDBHSA-N 2 2 390.532 1.411 20 0 GCADLP C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)CC1 ZINC000328883785 1200671303 /nfs/dbraw/zinc/67/13/03/1200671303.db2.gz YCNPQOROVIFVQH-SFHVURJKSA-N 2 2 390.532 1.411 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000524031597 1200713187 /nfs/dbraw/zinc/71/31/87/1200713187.db2.gz JBFYKZXRBIIYTN-QGZVFWFLSA-N 2 2 394.520 0.694 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000524031597 1200713189 /nfs/dbraw/zinc/71/31/89/1200713189.db2.gz JBFYKZXRBIIYTN-QGZVFWFLSA-N 2 2 394.520 0.694 20 0 GCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000477066193 1200811399 /nfs/dbraw/zinc/81/13/99/1200811399.db2.gz LTADMQAOMYVRNR-QGZVFWFLSA-N 2 2 390.528 0.982 20 0 GCADLP Cc1cc(NC(=O)CC[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000575861621 1200834216 /nfs/dbraw/zinc/83/42/16/1200834216.db2.gz CVRYVCXXPMGQMQ-UHFFFAOYSA-N 2 2 386.456 1.035 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530815967 1200879306 /nfs/dbraw/zinc/87/93/06/1200879306.db2.gz JYFXEPBIJONARX-OAQYLSRUSA-N 2 2 399.495 0.791 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530815967 1200879310 /nfs/dbraw/zinc/87/93/10/1200879310.db2.gz JYFXEPBIJONARX-OAQYLSRUSA-N 2 2 399.495 0.791 20 0 GCADLP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000923437613 1201001307 /nfs/dbraw/zinc/00/13/07/1201001307.db2.gz VFMOSUXGIFLJOQ-ILXRZTDVSA-N 2 2 386.504 0.083 20 0 GCADLP CSC1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[NH+](C)CC1 ZINC000564338671 1201043166 /nfs/dbraw/zinc/04/31/66/1201043166.db2.gz QNYIEBCNARDWIG-UHFFFAOYSA-N 2 2 396.561 1.164 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521193 1201062656 /nfs/dbraw/zinc/06/26/56/1201062656.db2.gz RVXYIWZGTOFRTN-SOUVJXGZSA-N 2 2 380.514 0.805 20 0 GCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521193 1201062662 /nfs/dbraw/zinc/06/26/62/1201062662.db2.gz RVXYIWZGTOFRTN-SOUVJXGZSA-N 2 2 380.514 0.805 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950276 1201260305 /nfs/dbraw/zinc/26/03/05/1201260305.db2.gz KQDKVWHMJVADRH-BRSBDYLESA-N 2 2 380.533 0.401 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950276 1201260306 /nfs/dbraw/zinc/26/03/06/1201260306.db2.gz KQDKVWHMJVADRH-BRSBDYLESA-N 2 2 380.533 0.401 20 0 GCADLP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079950276 1201260313 /nfs/dbraw/zinc/26/03/13/1201260313.db2.gz KQDKVWHMJVADRH-BRSBDYLESA-N 2 2 380.533 0.401 20 0 GCADLP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079950276 1201260315 /nfs/dbraw/zinc/26/03/15/1201260315.db2.gz KQDKVWHMJVADRH-BRSBDYLESA-N 2 2 380.533 0.401 20 0 GCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000495003875 1201296088 /nfs/dbraw/zinc/29/60/88/1201296088.db2.gz DPYUFWCIJVXVHW-QGZVFWFLSA-N 2 2 383.537 0.339 20 0 GCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000495003875 1201296090 /nfs/dbraw/zinc/29/60/90/1201296090.db2.gz DPYUFWCIJVXVHW-QGZVFWFLSA-N 2 2 383.537 0.339 20 0 GCADLP CO[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847955 1201306946 /nfs/dbraw/zinc/30/69/46/1201306946.db2.gz CLYOTVIAXLIZAB-VBSBHUPXSA-N 2 2 391.512 0.908 20 0 GCADLP CO[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847955 1201306956 /nfs/dbraw/zinc/30/69/56/1201306956.db2.gz CLYOTVIAXLIZAB-VBSBHUPXSA-N 2 2 391.512 0.908 20 0 GCADLP CO[C@@H]1C[NH+](CCOc2cccc(C)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081847955 1201306974 /nfs/dbraw/zinc/30/69/74/1201306974.db2.gz CLYOTVIAXLIZAB-VBSBHUPXSA-N 2 2 391.512 0.908 20 0 GCADLP CO[C@@H]1C[NH+](CCOc2cccc(C)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081847955 1201306980 /nfs/dbraw/zinc/30/69/80/1201306980.db2.gz CLYOTVIAXLIZAB-VBSBHUPXSA-N 2 2 391.512 0.908 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082517595 1201336182 /nfs/dbraw/zinc/33/61/82/1201336182.db2.gz VBJJHXFAMBPVAL-JOCBIADPSA-N 2 2 383.500 0.919 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001082657280 1201342667 /nfs/dbraw/zinc/34/26/67/1201342667.db2.gz QUWGNNBXKUQRFO-AFYVEPGGSA-N 2 2 388.512 0.898 20 0 GCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C)o1 ZINC001082656901 1201343091 /nfs/dbraw/zinc/34/30/91/1201343091.db2.gz ASNWXELPAUFLCU-OPNNQBFTSA-N 2 2 392.500 0.799 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001082755822 1201348410 /nfs/dbraw/zinc/34/84/10/1201348410.db2.gz BUWAKFGVOWLHCD-NRSFXHEJSA-N 2 2 383.500 0.492 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001082755822 1201348415 /nfs/dbraw/zinc/34/84/15/1201348415.db2.gz BUWAKFGVOWLHCD-NRSFXHEJSA-N 2 2 383.500 0.492 20 0 GCADLP CC(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@H]2C1 ZINC001083151299 1201393247 /nfs/dbraw/zinc/39/32/47/1201393247.db2.gz SGBCNJSGIONZLK-YDZRNGNQSA-N 2 2 381.517 0.434 20 0 GCADLP CC(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@H]2C1 ZINC001083151299 1201393253 /nfs/dbraw/zinc/39/32/53/1201393253.db2.gz SGBCNJSGIONZLK-YDZRNGNQSA-N 2 2 381.517 0.434 20 0 GCADLP Cc1cccc(CCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000287386714 1201400561 /nfs/dbraw/zinc/40/05/61/1201400561.db2.gz RCDKGNMLBMIEBO-UHFFFAOYSA-N 2 2 375.517 0.533 20 0 GCADLP Cc1cccc(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000287386714 1201400573 /nfs/dbraw/zinc/40/05/73/1201400573.db2.gz RCDKGNMLBMIEBO-UHFFFAOYSA-N 2 2 375.517 0.533 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C[C@H](C)O1 ZINC000497513470 1201403983 /nfs/dbraw/zinc/40/39/83/1201403983.db2.gz ZPXIMOHDWURISN-VXPDMUIRSA-N 2 2 380.577 0.699 20 0 GCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C[C@H](C)O1 ZINC000497513470 1201403985 /nfs/dbraw/zinc/40/39/85/1201403985.db2.gz ZPXIMOHDWURISN-VXPDMUIRSA-N 2 2 380.577 0.699 20 0 GCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000497513470 1201403988 /nfs/dbraw/zinc/40/39/88/1201403988.db2.gz ZPXIMOHDWURISN-VXPDMUIRSA-N 2 2 380.577 0.699 20 0 GCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000497513470 1201403990 /nfs/dbraw/zinc/40/39/90/1201403990.db2.gz ZPXIMOHDWURISN-VXPDMUIRSA-N 2 2 380.577 0.699 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001084994940 1201531510 /nfs/dbraw/zinc/53/15/10/1201531510.db2.gz ANHKQECKMZVZGW-YRXWBPOGSA-N 2 2 381.517 0.171 20 0 GCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001084994940 1201531515 /nfs/dbraw/zinc/53/15/15/1201531515.db2.gz ANHKQECKMZVZGW-YRXWBPOGSA-N 2 2 381.517 0.171 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000732780088 1201560785 /nfs/dbraw/zinc/56/07/85/1201560785.db2.gz HWTYEPHKQYXZMK-OAHLLOKOSA-N 2 2 384.521 0.812 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000732780088 1201560787 /nfs/dbraw/zinc/56/07/87/1201560787.db2.gz HWTYEPHKQYXZMK-OAHLLOKOSA-N 2 2 384.521 0.812 20 0 GCADLP CCOC(Cn1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1)OCC ZINC000732779704 1201561154 /nfs/dbraw/zinc/56/11/54/1201561154.db2.gz ZJKINLYETHXTGZ-HNNXBMFYSA-N 2 2 394.520 0.576 20 0 GCADLP CCOC(Cn1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1)OCC ZINC000732779704 1201561160 /nfs/dbraw/zinc/56/11/60/1201561160.db2.gz ZJKINLYETHXTGZ-HNNXBMFYSA-N 2 2 394.520 0.576 20 0 GCADLP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000823032807 1201588900 /nfs/dbraw/zinc/58/89/00/1201588900.db2.gz BWJTWQHCNVWNFP-HOTGVXAUSA-N 2 2 376.505 0.812 20 0 GCADLP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000823032807 1201588905 /nfs/dbraw/zinc/58/89/05/1201588905.db2.gz BWJTWQHCNVWNFP-HOTGVXAUSA-N 2 2 376.505 0.812 20 0 GCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C[C@@H]2C1 ZINC000823806395 1201607991 /nfs/dbraw/zinc/60/79/91/1201607991.db2.gz WZVXIEYKJTWNED-CABCVRRESA-N 2 2 378.498 0.107 20 0 GCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C[C@@H]2C1 ZINC000823806395 1201607994 /nfs/dbraw/zinc/60/79/94/1201607994.db2.gz WZVXIEYKJTWNED-CABCVRRESA-N 2 2 378.498 0.107 20 0 GCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C[C@@H]2C1 ZINC000823806395 1201607998 /nfs/dbraw/zinc/60/79/98/1201607998.db2.gz WZVXIEYKJTWNED-CABCVRRESA-N 2 2 378.498 0.107 20 0 GCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C[C@@H]2C1 ZINC000823806395 1201608001 /nfs/dbraw/zinc/60/80/01/1201608001.db2.gz WZVXIEYKJTWNED-CABCVRRESA-N 2 2 378.498 0.107 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(CC3CC3)nn2)O1 ZINC001085242902 1201647951 /nfs/dbraw/zinc/64/79/51/1201647951.db2.gz LVFDPVDMQDLQGO-UTRMSSBJSA-N 2 2 390.532 0.924 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(CC3CC3)nn2)O1 ZINC001085242902 1201647958 /nfs/dbraw/zinc/64/79/58/1201647958.db2.gz LVFDPVDMQDLQGO-UTRMSSBJSA-N 2 2 390.532 0.924 20 0 GCADLP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000734487881 1201653239 /nfs/dbraw/zinc/65/32/39/1201653239.db2.gz YMGPCKMFMCINPW-GHRIWEEISA-N 2 2 385.530 0.745 20 0 GCADLP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000734487881 1201653242 /nfs/dbraw/zinc/65/32/42/1201653242.db2.gz YMGPCKMFMCINPW-GHRIWEEISA-N 2 2 385.530 0.745 20 0 GCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000742717549 1201806931 /nfs/dbraw/zinc/80/69/31/1201806931.db2.gz ATGYRRWZWHNHHK-UHFFFAOYSA-N 2 2 383.496 0.935 20 0 GCADLP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+]1CCCCC1 ZINC000746372009 1201914593 /nfs/dbraw/zinc/91/45/93/1201914593.db2.gz NAUAJNFKRDNRHM-INIZCTEOSA-N 2 2 392.504 0.144 20 0 GCADLP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+]1CCCCC1 ZINC000746372010 1201914619 /nfs/dbraw/zinc/91/46/19/1201914619.db2.gz NAUAJNFKRDNRHM-MRXNPFEDSA-N 2 2 392.504 0.144 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000746417219 1201919268 /nfs/dbraw/zinc/91/92/68/1201919268.db2.gz DVOODEDVRRGHNJ-INIZCTEOSA-N 2 2 386.562 0.623 20 0 GCADLP CCOc1ccc(-n2nnc3cnc(-n4c[nH+]cc4C[C@@H]([NH3+])CO)nc32)cc1 ZINC001169072987 1201932010 /nfs/dbraw/zinc/93/20/10/1201932010.db2.gz WZIOYZRSNVCPFA-GFCCVEGCSA-N 2 2 380.412 0.657 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169134623 1201933263 /nfs/dbraw/zinc/93/32/63/1201933263.db2.gz VVEUSWXVFJXARF-FVQHAEBGSA-N 2 2 386.544 0.791 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169134623 1201933267 /nfs/dbraw/zinc/93/32/67/1201933267.db2.gz VVEUSWXVFJXARF-FVQHAEBGSA-N 2 2 386.544 0.791 20 0 GCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CO1 ZINC001169399773 1201946193 /nfs/dbraw/zinc/94/61/93/1201946193.db2.gz WSCQBPZTRUXUBE-CVEARBPZSA-N 2 2 378.473 0.621 20 0 GCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CO1 ZINC001169399773 1201946194 /nfs/dbraw/zinc/94/61/94/1201946194.db2.gz WSCQBPZTRUXUBE-CVEARBPZSA-N 2 2 378.473 0.621 20 0 GCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@H]1CCCC2(C1)OCCO2 ZINC001169937610 1201959840 /nfs/dbraw/zinc/95/98/40/1201959840.db2.gz XHCTXKPPWJSZTJ-BPUTZDHNSA-N 2 2 391.472 0.087 20 0 GCADLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1)C1CC1 ZINC001109402302 1202038343 /nfs/dbraw/zinc/03/83/43/1202038343.db2.gz MVINFDPFXZIIQC-DFEOGRTESA-N 2 2 378.517 0.343 20 0 GCADLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1)C1CC1 ZINC001109402302 1202038345 /nfs/dbraw/zinc/03/83/45/1202038345.db2.gz MVINFDPFXZIIQC-DFEOGRTESA-N 2 2 378.517 0.343 20 0 GCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1 ZINC001109400747 1202038488 /nfs/dbraw/zinc/03/84/88/1202038488.db2.gz TUPWMQOVZFQWJD-XWSJACJDSA-N 2 2 375.517 0.961 20 0 GCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC1CC1 ZINC001109400747 1202038490 /nfs/dbraw/zinc/03/84/90/1202038490.db2.gz TUPWMQOVZFQWJD-XWSJACJDSA-N 2 2 375.517 0.961 20 0 GCADLP C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C2CCC2)C3)CCO1 ZINC001109411645 1202040323 /nfs/dbraw/zinc/04/03/23/1202040323.db2.gz FWKZYWQTXRGBLI-BGTYHANMSA-N 2 2 378.517 0.440 20 0 GCADLP C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C2CCC2)C3)CCO1 ZINC001109411645 1202040326 /nfs/dbraw/zinc/04/03/26/1202040326.db2.gz FWKZYWQTXRGBLI-BGTYHANMSA-N 2 2 378.517 0.440 20 0 GCADLP C[C@@H]1CN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)C2CCC2)C3)CCO1 ZINC001109411645 1202040329 /nfs/dbraw/zinc/04/03/29/1202040329.db2.gz FWKZYWQTXRGBLI-BGTYHANMSA-N 2 2 378.517 0.440 20 0 GCADLP C[C@@H]1CN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C3)CCO1 ZINC001109411645 1202040332 /nfs/dbraw/zinc/04/03/32/1202040332.db2.gz FWKZYWQTXRGBLI-BGTYHANMSA-N 2 2 378.517 0.440 20 0 GCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001109427887 1202046729 /nfs/dbraw/zinc/04/67/29/1202046729.db2.gz ASKVMFHVBQZYMG-AESZEHBQSA-N 2 2 379.505 0.282 20 0 GCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001109427887 1202046730 /nfs/dbraw/zinc/04/67/30/1202046730.db2.gz ASKVMFHVBQZYMG-AESZEHBQSA-N 2 2 379.505 0.282 20 0 GCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769186189 1202049969 /nfs/dbraw/zinc/04/99/69/1202049969.db2.gz GUPTYGLTONRAPL-INIZCTEOSA-N 2 2 397.564 0.728 20 0 GCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449540 1202052590 /nfs/dbraw/zinc/05/25/90/1202052590.db2.gz ZXRVRFHZZJQOEN-IKGGRYGDSA-N 2 2 380.533 0.545 20 0 GCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449540 1202052592 /nfs/dbraw/zinc/05/25/92/1202052592.db2.gz ZXRVRFHZZJQOEN-IKGGRYGDSA-N 2 2 380.533 0.545 20 0 GCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001109447176 1202053499 /nfs/dbraw/zinc/05/34/99/1202053499.db2.gz DTPFBPQXOAARDC-BARDWOONSA-N 2 2 381.521 0.672 20 0 GCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001109447176 1202053501 /nfs/dbraw/zinc/05/35/01/1202053501.db2.gz DTPFBPQXOAARDC-BARDWOONSA-N 2 2 381.521 0.672 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001109525498 1202071734 /nfs/dbraw/zinc/07/17/34/1202071734.db2.gz DRMALCPYZQEQNR-SQNIBIBYSA-N 2 2 382.468 0.624 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001109525498 1202071736 /nfs/dbraw/zinc/07/17/36/1202071736.db2.gz DRMALCPYZQEQNR-SQNIBIBYSA-N 2 2 382.468 0.624 20 0 GCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109527444 1202071750 /nfs/dbraw/zinc/07/17/50/1202071750.db2.gz ULZSNLGWWRMIQN-NCOADZHNSA-N 2 2 377.489 0.454 20 0 GCADLP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109527444 1202071752 /nfs/dbraw/zinc/07/17/52/1202071752.db2.gz ULZSNLGWWRMIQN-NCOADZHNSA-N 2 2 377.489 0.454 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109527341 1202071852 /nfs/dbraw/zinc/07/18/52/1202071852.db2.gz OTRNFQDDNCCDFN-YVSFHVDLSA-N 2 2 375.473 0.066 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109527341 1202071855 /nfs/dbraw/zinc/07/18/55/1202071855.db2.gz OTRNFQDDNCCDFN-YVSFHVDLSA-N 2 2 375.473 0.066 20 0 GCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001109671377 1202102894 /nfs/dbraw/zinc/10/28/94/1202102894.db2.gz FLZGJQCMZJUCHB-OWSLCNJRSA-N 2 2 378.517 0.345 20 0 GCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001109671377 1202102896 /nfs/dbraw/zinc/10/28/96/1202102896.db2.gz FLZGJQCMZJUCHB-OWSLCNJRSA-N 2 2 378.517 0.345 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719424 1202111569 /nfs/dbraw/zinc/11/15/69/1202111569.db2.gz IBZAYSXDUIONPQ-IKGGRYGDSA-N 2 2 380.533 0.593 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719424 1202111571 /nfs/dbraw/zinc/11/15/71/1202111571.db2.gz IBZAYSXDUIONPQ-IKGGRYGDSA-N 2 2 380.533 0.593 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109719424 1202111574 /nfs/dbraw/zinc/11/15/74/1202111574.db2.gz IBZAYSXDUIONPQ-IKGGRYGDSA-N 2 2 380.533 0.593 20 0 GCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109719424 1202111575 /nfs/dbraw/zinc/11/15/75/1202111575.db2.gz IBZAYSXDUIONPQ-IKGGRYGDSA-N 2 2 380.533 0.593 20 0 GCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001109733220 1202114690 /nfs/dbraw/zinc/11/46/90/1202114690.db2.gz INVKOCRHGAREKQ-UGUYLWEFSA-N 2 2 381.521 0.530 20 0 GCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001109733220 1202114691 /nfs/dbraw/zinc/11/46/91/1202114691.db2.gz INVKOCRHGAREKQ-UGUYLWEFSA-N 2 2 381.521 0.530 20 0 GCADLP C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001109735379 1202115439 /nfs/dbraw/zinc/11/54/39/1202115439.db2.gz DRVOEXJDVXTWIC-BGTYHANMSA-N 2 2 378.517 0.487 20 0 GCADLP C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001109735379 1202115442 /nfs/dbraw/zinc/11/54/42/1202115442.db2.gz DRVOEXJDVXTWIC-BGTYHANMSA-N 2 2 378.517 0.487 20 0 GCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847675 1202135060 /nfs/dbraw/zinc/13/50/60/1202135060.db2.gz BLTUHLYZDJLXHB-IKGGRYGDSA-N 2 2 381.521 0.138 20 0 GCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847675 1202135061 /nfs/dbraw/zinc/13/50/61/1202135061.db2.gz BLTUHLYZDJLXHB-IKGGRYGDSA-N 2 2 381.521 0.138 20 0 GCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849567 1202135810 /nfs/dbraw/zinc/13/58/10/1202135810.db2.gz XJARLIUIFRPQOD-MHORFTMASA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849567 1202135813 /nfs/dbraw/zinc/13/58/13/1202135813.db2.gz XJARLIUIFRPQOD-MHORFTMASA-N 2 2 380.533 0.591 20 0 GCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849503 1202135834 /nfs/dbraw/zinc/13/58/34/1202135834.db2.gz VERUEKPPQXELBN-NCOADZHNSA-N 2 2 380.533 0.733 20 0 GCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849503 1202135835 /nfs/dbraw/zinc/13/58/35/1202135835.db2.gz VERUEKPPQXELBN-NCOADZHNSA-N 2 2 380.533 0.733 20 0 GCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849337 1202135857 /nfs/dbraw/zinc/13/58/57/1202135857.db2.gz NOYUMSRXLKGPRB-MHORFTMASA-N 2 2 380.533 0.686 20 0 GCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849337 1202135858 /nfs/dbraw/zinc/13/58/58/1202135858.db2.gz NOYUMSRXLKGPRB-MHORFTMASA-N 2 2 380.533 0.686 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001109868345 1202139956 /nfs/dbraw/zinc/13/99/56/1202139956.db2.gz LVCXUENSOLTNGA-WCVJEAGWSA-N 2 2 381.521 0.672 20 0 GCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001109868345 1202139958 /nfs/dbraw/zinc/13/99/58/1202139958.db2.gz LVCXUENSOLTNGA-WCVJEAGWSA-N 2 2 381.521 0.672 20 0 GCADLP CC[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902578 1202146404 /nfs/dbraw/zinc/14/64/04/1202146404.db2.gz QRLAGPYOZQLHOJ-MVJTYMMSSA-N 2 2 380.533 0.733 20 0 GCADLP CC[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902578 1202146406 /nfs/dbraw/zinc/14/64/06/1202146406.db2.gz QRLAGPYOZQLHOJ-MVJTYMMSSA-N 2 2 380.533 0.733 20 0 GCADLP CC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902577 1202146687 /nfs/dbraw/zinc/14/66/87/1202146687.db2.gz QRLAGPYOZQLHOJ-LMSBXDPUSA-N 2 2 380.533 0.733 20 0 GCADLP CC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902577 1202146690 /nfs/dbraw/zinc/14/66/90/1202146690.db2.gz QRLAGPYOZQLHOJ-LMSBXDPUSA-N 2 2 380.533 0.733 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928190 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/nfs/dbraw/zinc/52/85/96/1205528596.db2.gz PGLYNYKOQXJXGU-UIOXJLCWSA-N 2 2 375.864 0.909 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)C2)CC1 ZINC000806211233 1205551813 /nfs/dbraw/zinc/55/18/13/1205551813.db2.gz UTMHWJLASQKUCZ-WBVHZDCISA-N 2 2 394.516 0.073 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)C2)CC1 ZINC000806211233 1205551815 /nfs/dbraw/zinc/55/18/15/1205551815.db2.gz UTMHWJLASQKUCZ-WBVHZDCISA-N 2 2 394.516 0.073 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)CC1 ZINC000806842936 1205567623 /nfs/dbraw/zinc/56/76/23/1205567623.db2.gz AZBPQYZQCCMRBR-GXTWGEPZSA-N 2 2 376.423 0.824 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)CC1 ZINC000806842936 1205567624 /nfs/dbraw/zinc/56/76/24/1205567624.db2.gz AZBPQYZQCCMRBR-GXTWGEPZSA-N 2 2 376.423 0.824 20 0 GCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000807927006 1205594637 /nfs/dbraw/zinc/59/46/37/1205594637.db2.gz OUESJWANZMHSIG-IRXDYDNUSA-N 2 2 391.516 0.743 20 0 GCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000807927006 1205594638 /nfs/dbraw/zinc/59/46/38/1205594638.db2.gz OUESJWANZMHSIG-IRXDYDNUSA-N 2 2 391.516 0.743 20 0 GCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103085 1205598569 /nfs/dbraw/zinc/59/85/69/1205598569.db2.gz CRMUMEUGLMQKQZ-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103085 1205598571 /nfs/dbraw/zinc/59/85/71/1205598571.db2.gz CRMUMEUGLMQKQZ-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)cc2)CC1 ZINC000808751907 1205611376 /nfs/dbraw/zinc/61/13/76/1205611376.db2.gz ORURXABAQBZVHU-LPHOPBHVSA-N 2 2 376.501 0.442 20 0 GCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)cc2)CC1 ZINC000808751907 1205611377 /nfs/dbraw/zinc/61/13/77/1205611377.db2.gz ORURXABAQBZVHU-LPHOPBHVSA-N 2 2 376.501 0.442 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747560547 1205624463 /nfs/dbraw/zinc/62/44/63/1205624463.db2.gz DHIPTOAPNXVWKC-IAGOWNOFSA-N 2 2 378.477 0.200 20 0 GCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747560547 1205624464 /nfs/dbraw/zinc/62/44/64/1205624464.db2.gz DHIPTOAPNXVWKC-IAGOWNOFSA-N 2 2 378.477 0.200 20 0 GCADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000809460205 1205625943 /nfs/dbraw/zinc/62/59/43/1205625943.db2.gz UBDZNKGCJGBVRN-GOSISDBHSA-N 2 2 383.496 0.947 20 0 GCADLP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000809633984 1205628059 /nfs/dbraw/zinc/62/80/59/1205628059.db2.gz YQZGKPKZFHLUGM-UYSNPLJNSA-N 2 2 382.505 0.565 20 0 GCADLP COC(=O)CC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000811734716 1205655861 /nfs/dbraw/zinc/65/58/61/1205655861.db2.gz KRNPMPMHIWEVLZ-LJQANCHMSA-N 2 2 396.488 0.252 20 0 GCADLP CON(C)C(=O)C1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000813051789 1205672745 /nfs/dbraw/zinc/67/27/45/1205672745.db2.gz TUKBCDBRSZQMIZ-UHFFFAOYSA-N 2 2 395.548 0.986 20 0 GCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103375 1205676237 /nfs/dbraw/zinc/67/62/37/1205676237.db2.gz QZNODUOICFVKOO-SIXLDLHFSA-N 2 2 377.489 0.454 20 0 GCADLP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103375 1205676239 /nfs/dbraw/zinc/67/62/39/1205676239.db2.gz QZNODUOICFVKOO-SIXLDLHFSA-N 2 2 377.489 0.454 20 0 GCADLP CCCc1nnc(SCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1N ZINC000813429924 1205676309 /nfs/dbraw/zinc/67/63/09/1205676309.db2.gz IGJVIEUAUKRGDO-UHFFFAOYSA-N 2 2 395.577 0.711 20 0 GCADLP CCN1CC[C@@H]([N@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CC1=O ZINC001172045247 1205712393 /nfs/dbraw/zinc/71/23/93/1205712393.db2.gz WNWCHBSNICJIJI-OAHLLOKOSA-N 2 2 399.499 0.416 20 0 GCADLP CCN1CC[C@@H]([N@@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CC1=O ZINC001172045247 1205712395 /nfs/dbraw/zinc/71/23/95/1205712395.db2.gz WNWCHBSNICJIJI-OAHLLOKOSA-N 2 2 399.499 0.416 20 0 GCADLP COCCC[NH+]1CCC([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001172252088 1205715238 /nfs/dbraw/zinc/71/52/38/1205715238.db2.gz NKKAHTPRNHVPFO-UYAOXDASSA-N 3 2 396.576 0.598 20 0 GCADLP COCCC[NH+]1CCC([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001172252088 1205715240 /nfs/dbraw/zinc/71/52/40/1205715240.db2.gz NKKAHTPRNHVPFO-UYAOXDASSA-N 3 2 396.576 0.598 20 0 GCADLP COCCC[NH+]1CCC([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001172252088 1205715242 /nfs/dbraw/zinc/71/52/42/1205715242.db2.gz NKKAHTPRNHVPFO-UYAOXDASSA-N 3 2 396.576 0.598 20 0 GCADLP COCCC[NH+]1CCC([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001172252088 1205715243 /nfs/dbraw/zinc/71/52/43/1205715243.db2.gz NKKAHTPRNHVPFO-UYAOXDASSA-N 3 2 396.576 0.598 20 0 GCADLP COCCC[NH+]1CCC(N2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001172252088 1205715245 /nfs/dbraw/zinc/71/52/45/1205715245.db2.gz NKKAHTPRNHVPFO-UYAOXDASSA-N 2 2 396.576 0.598 20 0 GCADLP COCCC[NH+]1CCC(N2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001172252088 1205715247 /nfs/dbraw/zinc/71/52/47/1205715247.db2.gz NKKAHTPRNHVPFO-UYAOXDASSA-N 2 2 396.576 0.598 20 0 GCADLP COC(=O)N1CCC([N@H+]2Cc3nccn3C[C@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC001172738871 1205717026 /nfs/dbraw/zinc/71/70/26/1205717026.db2.gz TXFVHZFXTOVNJY-KRWDZBQOSA-N 2 2 390.532 0.793 20 0 GCADLP COC(=O)N1CCC([N@@H+]2Cc3nccn3C[C@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC001172738871 1205717028 /nfs/dbraw/zinc/71/70/28/1205717028.db2.gz TXFVHZFXTOVNJY-KRWDZBQOSA-N 2 2 390.532 0.793 20 0 GCADLP CC[N@@H+]1CC[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(=O)(=O)C2CC2)C1 ZINC001173364077 1205720056 /nfs/dbraw/zinc/72/00/56/1205720056.db2.gz SVPYXQPVHYBXMQ-HNNXBMFYSA-N 2 2 395.529 0.125 20 0 GCADLP CC[N@H+]1CC[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(=O)(=O)C2CC2)C1 ZINC001173364077 1205720058 /nfs/dbraw/zinc/72/00/58/1205720058.db2.gz SVPYXQPVHYBXMQ-HNNXBMFYSA-N 2 2 395.529 0.125 20 0 GCADLP COC(=O)[C@H]1C[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173504925 1205721666 /nfs/dbraw/zinc/72/16/66/1205721666.db2.gz WTGOAXPXPGLPKY-DLBZAZTESA-N 2 2 387.484 0.605 20 0 GCADLP CC[C@]1(C(=O)OC)C[C@@H]([NH+]2CCN(CC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173542983 1205722859 /nfs/dbraw/zinc/72/28/59/1205722859.db2.gz PYWSEZSVVFWONU-DNVCBOLYSA-N 2 2 384.521 0.894 20 0 GCADLP COC(=O)[C@H]1C[C@H](N2CC[NH+](CCC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173517940 1205723192 /nfs/dbraw/zinc/72/31/92/1205723192.db2.gz TYNZUQWKCIVMJK-RTBURBONSA-N 2 2 388.512 0.799 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)C2 ZINC001173755166 1205727641 /nfs/dbraw/zinc/72/76/41/1205727641.db2.gz UKOMFGXOGLXGPR-DLBZAZTESA-N 2 2 395.471 0.864 20 0 GCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)C2 ZINC001173755166 1205727643 /nfs/dbraw/zinc/72/76/43/1205727643.db2.gz UKOMFGXOGLXGPR-DLBZAZTESA-N 2 2 395.471 0.864 20 0 GCADLP C[N@@H+]1CCCn2nc(C(=O)N(c3ccc(C[NH3+])cc3)S(C)(=O)=O)cc2C1 ZINC001175094939 1205735078 /nfs/dbraw/zinc/73/50/78/1205735078.db2.gz PMQGBQTXQZLNSH-UHFFFAOYSA-N 2 2 377.470 0.784 20 0 GCADLP C[N@H+]1CCCn2nc(C(=O)N(c3ccc(C[NH3+])cc3)S(C)(=O)=O)cc2C1 ZINC001175094939 1205735079 /nfs/dbraw/zinc/73/50/79/1205735079.db2.gz PMQGBQTXQZLNSH-UHFFFAOYSA-N 2 2 377.470 0.784 20 0 GCADLP Cc1nc(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cs1 ZINC001176117095 1205744360 /nfs/dbraw/zinc/74/43/60/1205744360.db2.gz MMJCDOHECJBPKQ-UHFFFAOYSA-N 2 2 393.557 0.691 20 0 GCADLP Cc1nc(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cs1 ZINC001176117095 1205744361 /nfs/dbraw/zinc/74/43/61/1205744361.db2.gz MMJCDOHECJBPKQ-UHFFFAOYSA-N 2 2 393.557 0.691 20 0 GCADLP C[NH+]1CCN(c2ccc(Nc3cc(N4CC[NH+](CCO)CC4)ncn3)cn2)CC1 ZINC001176654891 1205752156 /nfs/dbraw/zinc/75/21/56/1205752156.db2.gz WGKBOTXSTRWVHZ-UHFFFAOYSA-N 2 2 398.515 0.481 20 0 GCADLP Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)Cc1c[nH]c[nH+]1 ZINC001176836837 1205756178 /nfs/dbraw/zinc/75/61/78/1205756178.db2.gz QGDKPDYZKYINDL-UHFFFAOYSA-N 2 2 378.396 0.883 20 0 GCADLP Cn1nnc2c1CCN(C(=O)CCn1cc[nH+]c1)[C@H]2COCC[NH+]1CCCC1 ZINC001176874557 1205757428 /nfs/dbraw/zinc/75/74/28/1205757428.db2.gz XHYBWNUTYBIENV-KRWDZBQOSA-N 2 2 387.488 0.640 20 0 GCADLP Cc1cc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1C ZINC001178571017 1205789919 /nfs/dbraw/zinc/78/99/19/1205789919.db2.gz FHYRYPCPJFCCIZ-MRXNPFEDSA-N 2 2 385.516 0.665 20 0 GCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)CC1 ZINC001179018144 1205798165 /nfs/dbraw/zinc/79/81/65/1205798165.db2.gz ZTMAMXYNODROSD-MRXNPFEDSA-N 2 2 380.533 0.546 20 0 GCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)CC1 ZINC001179018144 1205798167 /nfs/dbraw/zinc/79/81/67/1205798167.db2.gz ZTMAMXYNODROSD-MRXNPFEDSA-N 2 2 380.533 0.546 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C34CC[NH+](CC3)CC4)CC2)C1=O ZINC001181548991 1205846056 /nfs/dbraw/zinc/84/60/56/1205846056.db2.gz JBIZLUSFODXKHN-UHFFFAOYSA-N 3 2 391.560 0.169 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C34CC[NH+](CC3)CC4)CC2)C1=O ZINC001181548991 1205846058 /nfs/dbraw/zinc/84/60/58/1205846058.db2.gz JBIZLUSFODXKHN-UHFFFAOYSA-N 3 2 391.560 0.169 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1(C)CC[NH+](C)CC1 ZINC001181988024 1205853079 /nfs/dbraw/zinc/85/30/79/1205853079.db2.gz ZNVUNMHXXGJNMN-UZLBHIALSA-N 2 2 381.517 0.973 20 0 GCADLP C[NH+]1CCC(O)(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)CC1 ZINC001182030479 1205853558 /nfs/dbraw/zinc/85/35/58/1205853558.db2.gz DERXJQAJPIJGJG-MRXNPFEDSA-N 2 2 385.468 0.772 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001182298702 1205863474 /nfs/dbraw/zinc/86/34/74/1205863474.db2.gz UDTYIVXBDCUROB-AWEZNQCLSA-N 2 2 378.477 0.793 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001182298702 1205863476 /nfs/dbraw/zinc/86/34/76/1205863476.db2.gz UDTYIVXBDCUROB-AWEZNQCLSA-N 2 2 378.477 0.793 20 0 GCADLP Cc1noc(C)c1CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000774190401 1205864751 /nfs/dbraw/zinc/86/47/51/1205864751.db2.gz UAXMNFWLVNUCGR-HNNXBMFYSA-N 2 2 377.489 0.535 20 0 GCADLP Cc1noc(C)c1CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000774190401 1205864753 /nfs/dbraw/zinc/86/47/53/1205864753.db2.gz UAXMNFWLVNUCGR-HNNXBMFYSA-N 2 2 377.489 0.535 20 0 GCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCC[NH+]3CC3CC3)C2)C1 ZINC001182553412 1205875756 /nfs/dbraw/zinc/87/57/56/1205875756.db2.gz NGZXFQIXZPSCMU-GHTZIAJQSA-N 2 2 392.544 0.548 20 0 GCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCC[NH+]3CC3CC3)C2)C1 ZINC001182553412 1205875758 /nfs/dbraw/zinc/87/57/58/1205875758.db2.gz NGZXFQIXZPSCMU-GHTZIAJQSA-N 2 2 392.544 0.548 20 0 GCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCC[N@@H+]3CC3CC3)C2)C1 ZINC001182553412 1205875760 /nfs/dbraw/zinc/87/57/60/1205875760.db2.gz NGZXFQIXZPSCMU-GHTZIAJQSA-N 2 2 392.544 0.548 20 0 GCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCC[N@H+]3CC3CC3)C2)C1 ZINC001182553412 1205875763 /nfs/dbraw/zinc/87/57/63/1205875763.db2.gz NGZXFQIXZPSCMU-GHTZIAJQSA-N 2 2 392.544 0.548 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CCCC[NH+](C)C)CC2 ZINC001184057177 1205904708 /nfs/dbraw/zinc/90/47/08/1205904708.db2.gz IJIGBWUXFYHGDN-UHFFFAOYSA-N 2 2 390.532 0.424 20 0 GCADLP C[NH+](C)CCCCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001184057126 1205904730 /nfs/dbraw/zinc/90/47/30/1205904730.db2.gz TXHQBKBWFXYFPC-UHFFFAOYSA-N 3 2 381.565 0.415 20 0 GCADLP C[NH+](C)CCCCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001184057126 1205904732 /nfs/dbraw/zinc/90/47/32/1205904732.db2.gz TXHQBKBWFXYFPC-UHFFFAOYSA-N 3 2 381.565 0.415 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(C4CC4)o3)CC2)C1=O ZINC001185198917 1205917786 /nfs/dbraw/zinc/91/77/86/1205917786.db2.gz LSONEYBAPDYVQO-UHFFFAOYSA-N 2 2 389.500 0.862 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(C4CC4)o3)CC2)C1=O ZINC001185198917 1205917788 /nfs/dbraw/zinc/91/77/88/1205917788.db2.gz LSONEYBAPDYVQO-UHFFFAOYSA-N 2 2 389.500 0.862 20 0 GCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)CC1 ZINC001185240426 1205918630 /nfs/dbraw/zinc/91/86/30/1205918630.db2.gz HEPQMGRCJGMIAN-FHWLQOOXSA-N 2 2 390.528 0.585 20 0 GCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)CC1 ZINC001185240426 1205918631 /nfs/dbraw/zinc/91/86/31/1205918631.db2.gz HEPQMGRCJGMIAN-FHWLQOOXSA-N 2 2 390.528 0.585 20 0 GCADLP Cc1nn(C)c(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c1F ZINC001185378636 1205921760 /nfs/dbraw/zinc/92/17/60/1205921760.db2.gz XFKJIAITVONCHA-UHFFFAOYSA-N 2 2 394.495 0.178 20 0 GCADLP Cc1nn(C)c(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c1F ZINC001185378636 1205921762 /nfs/dbraw/zinc/92/17/62/1205921762.db2.gz XFKJIAITVONCHA-UHFFFAOYSA-N 2 2 394.495 0.178 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3c(C[NH+](C)C(C)C)[nH]nc3C2)C1 ZINC001186100896 1205934747 /nfs/dbraw/zinc/93/47/47/1205934747.db2.gz MGDFOTAPQGOPIQ-AWEZNQCLSA-N 2 2 377.489 0.630 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3c(C[NH+](C)C(C)C)[nH]nc3C2)C1 ZINC001186100896 1205934748 /nfs/dbraw/zinc/93/47/48/1205934748.db2.gz MGDFOTAPQGOPIQ-AWEZNQCLSA-N 2 2 377.489 0.630 20 0 GCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CCc3c(C[N@H+](C)C(C)C)[nH]nc3C2)C1 ZINC001186100896 1205934749 /nfs/dbraw/zinc/93/47/49/1205934749.db2.gz MGDFOTAPQGOPIQ-AWEZNQCLSA-N 2 2 377.489 0.630 20 0 GCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CCc3c(C[N@@H+](C)C(C)C)[nH]nc3C2)C1 ZINC001186100896 1205934750 /nfs/dbraw/zinc/93/47/50/1205934750.db2.gz MGDFOTAPQGOPIQ-AWEZNQCLSA-N 2 2 377.489 0.630 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3c(C[NH+](C)C(C)C)n[nH]c3C2)C1 ZINC001186100896 1205934751 /nfs/dbraw/zinc/93/47/51/1205934751.db2.gz MGDFOTAPQGOPIQ-AWEZNQCLSA-N 2 2 377.489 0.630 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3c(C[NH+](C)C(C)C)n[nH]c3C2)C1 ZINC001186100896 1205934752 /nfs/dbraw/zinc/93/47/52/1205934752.db2.gz MGDFOTAPQGOPIQ-AWEZNQCLSA-N 2 2 377.489 0.630 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001186106374 1205935026 /nfs/dbraw/zinc/93/50/26/1205935026.db2.gz NAUAJNKQCKPCRI-KRWDZBQOSA-N 2 2 375.469 0.705 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001186106374 1205935027 /nfs/dbraw/zinc/93/50/27/1205935027.db2.gz NAUAJNKQCKPCRI-KRWDZBQOSA-N 2 2 375.469 0.705 20 0 GCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435234 1206054942 /nfs/dbraw/zinc/05/49/42/1206054942.db2.gz VAFGHKJZVUJWSQ-CVEARBPZSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435234 1206054945 /nfs/dbraw/zinc/05/49/45/1206054945.db2.gz VAFGHKJZVUJWSQ-CVEARBPZSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435234 1206054946 /nfs/dbraw/zinc/05/49/46/1206054946.db2.gz VAFGHKJZVUJWSQ-CVEARBPZSA-N 2 2 399.536 0.557 20 0 GCADLP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435234 1206054950 /nfs/dbraw/zinc/05/49/50/1206054950.db2.gz VAFGHKJZVUJWSQ-CVEARBPZSA-N 2 2 399.536 0.557 20 0 GCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001164704958 719880543 /nfs/dbraw/zinc/88/05/43/719880543.db2.gz XXYQSZSKNZLKDX-HNAYVOBHSA-N 2 2 375.473 0.396 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(C2C[NH2+]C2)n1 ZINC001164702818 719880664 /nfs/dbraw/zinc/88/06/64/719880664.db2.gz QZIKJPDKBNKOHX-UZLBHIALSA-N 2 2 389.500 0.705 20 0 GCADLP Cc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(C[NH3+])c1 ZINC001164708604 719917819 /nfs/dbraw/zinc/91/78/19/719917819.db2.gz MXPYMQLHUIYGPV-UHFFFAOYSA-N 2 2 383.500 0.533 20 0 GCADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164851428 720837340 /nfs/dbraw/zinc/83/73/40/720837340.db2.gz HBVDSUXVFRLUDT-IRXDYDNUSA-N 2 2 377.489 0.487 20 0 GCADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164851428 720837341 /nfs/dbraw/zinc/83/73/41/720837341.db2.gz HBVDSUXVFRLUDT-IRXDYDNUSA-N 2 2 377.489 0.487 20 0 GCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(Cn3cncn3)c[nH+]1)CC2 ZINC001164754729 720963886 /nfs/dbraw/zinc/96/38/86/720963886.db2.gz WBLJZFQGZXDUCV-UHFFFAOYSA-N 2 2 396.455 0.564 20 0 GCADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ncc5c(n4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164912864 721773466 /nfs/dbraw/zinc/77/34/66/721773466.db2.gz RCHBRQHXFGOTAO-NRFANRHFSA-N 2 2 396.495 0.625 20 0 GCADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ncc5c(n4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164912864 721773469 /nfs/dbraw/zinc/77/34/69/721773469.db2.gz RCHBRQHXFGOTAO-NRFANRHFSA-N 2 2 396.495 0.625 20 0 GCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001164927928 721876123 /nfs/dbraw/zinc/87/61/23/721876123.db2.gz XFWFYEAZTIOTMP-ZWKOTPCHSA-N 2 2 387.532 0.131 20 0 GCADLP Cn1cc(N2C[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3C2=O)cn1 ZINC001164980232 722095033 /nfs/dbraw/zinc/09/50/33/722095033.db2.gz LTKKJZDVFQSHIP-NVXWUHKLSA-N 2 2 381.484 0.666 20 0 GCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272345 945660054 /nfs/dbraw/zinc/66/00/54/945660054.db2.gz SHMYSGCFUXOVLF-LBPRGKRZSA-N 2 2 386.485 0.937 20 0 GCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272345 945660059 /nfs/dbraw/zinc/66/00/59/945660059.db2.gz SHMYSGCFUXOVLF-LBPRGKRZSA-N 2 2 386.485 0.937 20 0 GCADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)Cc2ccccc2C1 ZINC000821581514 945722547 /nfs/dbraw/zinc/72/25/47/945722547.db2.gz NQINCVRASOYXLH-CQSZACIVSA-N 2 2 393.499 0.794 20 0 GCADLP CCS(=O)(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825663516 947281468 /nfs/dbraw/zinc/28/14/68/947281468.db2.gz QZNZVUYTIZBKQJ-UHFFFAOYSA-N 2 2 393.517 0.360 20 0 GCADLP Cn1cc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000826359579 948114936 /nfs/dbraw/zinc/11/49/36/948114936.db2.gz LBQPMEHELZNVKN-SFHVURJKSA-N 2 2 382.472 0.888 20 0 GCADLP Cn1cc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000826359578 948115264 /nfs/dbraw/zinc/11/52/64/948115264.db2.gz LBQPMEHELZNVKN-GOSISDBHSA-N 2 2 382.472 0.888 20 0 GCADLP OCCN1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826509991 948430154 /nfs/dbraw/zinc/43/01/54/948430154.db2.gz SYGAJOKZKXKDGK-IBGZPJMESA-N 2 2 385.516 0.877 20 0 GCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920063 948881559 /nfs/dbraw/zinc/88/15/59/948881559.db2.gz BFGLUCSWGQJIQA-LBPRGKRZSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920062 948882364 /nfs/dbraw/zinc/88/23/64/948882364.db2.gz BFGLUCSWGQJIQA-GFCCVEGCSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920862 948909449 /nfs/dbraw/zinc/90/94/49/948909449.db2.gz PRISGDZSRDGRIK-GFCCVEGCSA-N 2 2 386.435 0.966 20 0 GCADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266535 949480289 /nfs/dbraw/zinc/48/02/89/949480289.db2.gz ZCEGVLFEHRYYRI-CXAGYDPISA-N 2 2 385.472 0.134 20 0 GCADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266535 949480308 /nfs/dbraw/zinc/48/03/08/949480308.db2.gz ZCEGVLFEHRYYRI-CXAGYDPISA-N 2 2 385.472 0.134 20 0 GCADLP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171291 949756922 /nfs/dbraw/zinc/75/69/22/949756922.db2.gz QDDNCFGGPBHWLA-BBRMVZONSA-N 2 2 381.444 0.619 20 0 GCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574728670 950000174 /nfs/dbraw/zinc/00/01/74/950000174.db2.gz GSJKLJIPSRWWAU-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574732781 950074448 /nfs/dbraw/zinc/07/44/48/950074448.db2.gz KRHAVAQDQMETFI-CYBMUJFWSA-N 2 2 383.460 0.963 20 0 GCADLP C[C@H](CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cc[nH+]c1 ZINC001574494844 950187856 /nfs/dbraw/zinc/18/78/56/950187856.db2.gz PDJCRGLVDHKHLZ-WBMJQRKESA-N 2 2 381.444 0.838 20 0 GCADLP C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575901681 950239405 /nfs/dbraw/zinc/23/94/05/950239405.db2.gz PSRVZXZGJPAGLB-WBMJQRKESA-N 2 2 384.419 0.982 20 0 GCADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001574157751 950252572 /nfs/dbraw/zinc/25/25/72/950252572.db2.gz HVJXTBUTJCYWPO-AWEZNQCLSA-N 2 2 383.460 0.913 20 0 GCADLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575909507 950397316 /nfs/dbraw/zinc/39/73/16/950397316.db2.gz GVXXKKQXXHZDMV-CXAGYDPISA-N 2 2 380.456 0.922 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576203803 950447980 /nfs/dbraw/zinc/44/79/80/950447980.db2.gz JXKCMCPGCGRUDO-QWHCGFSZSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576203803 950447987 /nfs/dbraw/zinc/44/79/87/950447987.db2.gz JXKCMCPGCGRUDO-QWHCGFSZSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576203803 950447991 /nfs/dbraw/zinc/44/79/91/950447991.db2.gz JXKCMCPGCGRUDO-QWHCGFSZSA-N 2 2 375.502 0.961 20 0 GCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576203803 950448002 /nfs/dbraw/zinc/44/80/02/950448002.db2.gz JXKCMCPGCGRUDO-QWHCGFSZSA-N 2 2 375.502 0.961 20 0 GCADLP CC1CC[NH+](CC(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576206228 950566146 /nfs/dbraw/zinc/56/61/46/950566146.db2.gz VSMBIZRSMBPQOK-HNNXBMFYSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206341 950571885 /nfs/dbraw/zinc/57/18/85/950571885.db2.gz WSLSQTDOPQTBDP-LSDHHAIUSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206341 950571906 /nfs/dbraw/zinc/57/19/06/950571906.db2.gz WSLSQTDOPQTBDP-LSDHHAIUSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206340 950573314 /nfs/dbraw/zinc/57/33/14/950573314.db2.gz WSLSQTDOPQTBDP-HUUCEWRRSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206340 950573333 /nfs/dbraw/zinc/57/33/33/950573333.db2.gz WSLSQTDOPQTBDP-HUUCEWRRSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575000045 950595020 /nfs/dbraw/zinc/59/50/20/950595020.db2.gz OOXRUOAGPXTINI-LBPRGKRZSA-N 2 2 384.444 0.824 20 0 GCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)C1 ZINC001576208698 950612549 /nfs/dbraw/zinc/61/25/49/950612549.db2.gz SUIHKPLIFYTCNR-RRFJBIMHSA-N 2 2 384.488 0.792 20 0 GCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)C1 ZINC001576208698 950612567 /nfs/dbraw/zinc/61/25/67/950612567.db2.gz SUIHKPLIFYTCNR-RRFJBIMHSA-N 2 2 384.488 0.792 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)C1 ZINC001576208697 950615509 /nfs/dbraw/zinc/61/55/09/950615509.db2.gz SUIHKPLIFYTCNR-RBSFLKMASA-N 2 2 384.488 0.792 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)C1 ZINC001576208697 950615523 /nfs/dbraw/zinc/61/55/23/950615523.db2.gz SUIHKPLIFYTCNR-RBSFLKMASA-N 2 2 384.488 0.792 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575104882 951889529 /nfs/dbraw/zinc/88/95/29/951889529.db2.gz FYVXAGIYWOMUAZ-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575104882 951889541 /nfs/dbraw/zinc/88/95/41/951889541.db2.gz FYVXAGIYWOMUAZ-WBMJQRKESA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575104880 951889829 /nfs/dbraw/zinc/88/98/29/951889829.db2.gz FYVXAGIYWOMUAZ-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575104880 951889834 /nfs/dbraw/zinc/88/98/34/951889834.db2.gz FYVXAGIYWOMUAZ-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001575145498 952185732 /nfs/dbraw/zinc/18/57/32/952185732.db2.gz YSDKLVWQBFSBTO-STQMWFEESA-N 2 2 381.444 0.402 20 0 GCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001575145495 952186377 /nfs/dbraw/zinc/18/63/77/952186377.db2.gz YSDKLVWQBFSBTO-CHWSQXEVSA-N 2 2 381.444 0.402 20 0 GCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001575145986 952189824 /nfs/dbraw/zinc/18/98/24/952189824.db2.gz FGRMBVZQUGYGQX-LLVKDONJSA-N 2 2 385.432 0.306 20 0 GCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571147026 952656269 /nfs/dbraw/zinc/65/62/69/952656269.db2.gz QLJCGMLHRPDGHL-CHWSQXEVSA-N 2 2 379.428 0.156 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169426 952773603 /nfs/dbraw/zinc/77/36/03/952773603.db2.gz CDIIWISMHUXPQT-MRXNPFEDSA-N 2 2 380.456 0.876 20 0 GCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169426 952773606 /nfs/dbraw/zinc/77/36/06/952773606.db2.gz CDIIWISMHUXPQT-MRXNPFEDSA-N 2 2 380.456 0.876 20 0 GCADLP Cc1cc(N[C@H](C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188130 952912593 /nfs/dbraw/zinc/91/25/93/952912593.db2.gz GEVDIWWRNTUJRN-OLZOCXBDSA-N 2 2 381.444 0.607 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571188725 952919279 /nfs/dbraw/zinc/91/92/79/952919279.db2.gz GTSNNJIQGALCJG-AWEZNQCLSA-N 2 2 381.444 0.763 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001571189026 952922706 /nfs/dbraw/zinc/92/27/06/952922706.db2.gz PUOMDFRIPYPHTR-HIFRSBDPSA-N 2 2 381.444 0.598 20 0 GCADLP Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189500 952930688 /nfs/dbraw/zinc/93/06/88/952930688.db2.gz WETQWESMWSPAFD-OCCSQVGLSA-N 2 2 381.444 0.655 20 0 GCADLP COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571199261 952997928 /nfs/dbraw/zinc/99/79/28/952997928.db2.gz OPGGTDFMWBVVKX-ZDUSSCGKSA-N 2 2 382.428 0.532 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571212414 953088156 /nfs/dbraw/zinc/08/81/56/953088156.db2.gz LLDCRWUOOJMGAZ-BRWVUGGUSA-N 2 2 382.472 0.926 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571212414 953088160 /nfs/dbraw/zinc/08/81/60/953088160.db2.gz LLDCRWUOOJMGAZ-BRWVUGGUSA-N 2 2 382.472 0.926 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]2[C@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571219347 953124826 /nfs/dbraw/zinc/12/48/26/953124826.db2.gz XRVPBBSCUWWHAK-GDBMZVCRSA-N 2 2 382.472 0.785 20 0 GCADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001571238868 953233189 /nfs/dbraw/zinc/23/31/89/953233189.db2.gz BLHJBFKQUQENCU-MLGOLLRUSA-N 2 2 384.419 0.982 20 0 GCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001571249457 953305857 /nfs/dbraw/zinc/30/58/57/953305857.db2.gz JGQNYCHKLVJDRX-GDBMZVCRSA-N 2 2 384.488 0.935 20 0 GCADLP CN(C(=O)NC1CC[NH+](CC(=O)[O-])CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001604208322 972673116 /nfs/dbraw/zinc/67/31/16/972673116.db2.gz KFVHGFRVYDFXNM-QGZVFWFLSA-N 2 2 381.521 0.345 20 0 GCADLP CN(C(=O)NC1CC[NH+](CC(=O)[O-])CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001604208322 972673122 /nfs/dbraw/zinc/67/31/22/972673122.db2.gz KFVHGFRVYDFXNM-QGZVFWFLSA-N 2 2 381.521 0.345 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000653154311 530190989 /nfs/dbraw/zinc/19/09/89/530190989.db2.gz OHGGZQVVEXBTAG-UONOGXRCSA-N 2 2 383.290 0.728 20 0 GCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@@H](C[NH3+])C1 ZINC000572600427 530276798 /nfs/dbraw/zinc/27/67/98/530276798.db2.gz UYTLDSGUMJJJDS-DOMZBBRYSA-N 2 2 395.301 0.903 20 0 GCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@@H](C[NH3+])C1 ZINC000572600427 530276800 /nfs/dbraw/zinc/27/68/00/530276800.db2.gz UYTLDSGUMJJJDS-DOMZBBRYSA-N 2 2 395.301 0.903 20 0 GCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000560629795 530268032 /nfs/dbraw/zinc/26/80/32/530268032.db2.gz NOXRSDANZUNQHK-UHFFFAOYSA-N 2 2 381.483 0.795 20 0 GCADLP CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C)C[NH3+])c2)CC1 ZINC000274472716 530296851 /nfs/dbraw/zinc/29/68/51/530296851.db2.gz XXKNKIQTNDWXHQ-GFCCVEGCSA-N 2 2 388.921 0.743 20 0 GCADLP CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000570739678 530324500 /nfs/dbraw/zinc/32/45/00/530324500.db2.gz RQUAEZKOFFBTJZ-ZDUSSCGKSA-N 2 2 391.519 0.040 20 0 GCADLP CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000570739678 530324502 /nfs/dbraw/zinc/32/45/02/530324502.db2.gz RQUAEZKOFFBTJZ-ZDUSSCGKSA-N 2 2 391.519 0.040 20 0 GCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000570890744 530327550 /nfs/dbraw/zinc/32/75/50/530327550.db2.gz CGIJQDVWICZOPS-OAHLLOKOSA-N 2 2 391.559 0.430 20 0 GCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000570890744 530327551 /nfs/dbraw/zinc/32/75/51/530327551.db2.gz CGIJQDVWICZOPS-OAHLLOKOSA-N 2 2 391.559 0.430 20 0 GCADLP CCS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563013501 530350188 /nfs/dbraw/zinc/35/01/88/530350188.db2.gz JHTXVEVDCGMRHK-UXLLHSPISA-N 2 2 377.551 0.108 20 0 GCADLP CCS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563013501 530350190 /nfs/dbraw/zinc/35/01/90/530350190.db2.gz JHTXVEVDCGMRHK-UXLLHSPISA-N 2 2 377.551 0.108 20 0 GCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(Br)cc1 ZINC000594874638 530443261 /nfs/dbraw/zinc/44/32/61/530443261.db2.gz LIWJEHQZBSTTIH-GLQYFDAESA-N 2 2 395.301 0.870 20 0 GCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(Br)cc1 ZINC000594874638 530443262 /nfs/dbraw/zinc/44/32/62/530443262.db2.gz LIWJEHQZBSTTIH-GLQYFDAESA-N 2 2 395.301 0.870 20 0 GCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1cccc(I)c1 ZINC000595903555 530450071 /nfs/dbraw/zinc/45/00/71/530450071.db2.gz XTPXXZNOEUSEKA-UHFFFAOYSA-N 2 2 389.237 0.934 20 0 GCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596411 530466997 /nfs/dbraw/zinc/46/69/97/530466997.db2.gz PASRODDIMLLHOS-KGLIPLIRSA-N 2 2 383.290 0.950 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602201900 530481630 /nfs/dbraw/zinc/48/16/30/530481630.db2.gz TUQVLPGRCRCDMS-GFCCVEGCSA-N 2 2 386.543 0.223 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602201900 530481632 /nfs/dbraw/zinc/48/16/32/530481632.db2.gz TUQVLPGRCRCDMS-GFCCVEGCSA-N 2 2 386.543 0.223 20 0 GCADLP CC(C)[N@H+]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000569021167 530566100 /nfs/dbraw/zinc/56/61/00/530566100.db2.gz OLFYXKUPVZOLFU-STQMWFEESA-N 2 2 393.535 0.190 20 0 GCADLP CC(C)[N@@H+]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000569021167 530566102 /nfs/dbraw/zinc/56/61/02/530566102.db2.gz OLFYXKUPVZOLFU-STQMWFEESA-N 2 2 393.535 0.190 20 0 GCADLP COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000327771819 530579296 /nfs/dbraw/zinc/57/92/96/530579296.db2.gz LSYDXCHIEBBZMW-HZPDHXFCSA-N 2 2 375.535 0.616 20 0 GCADLP COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000327771819 530579301 /nfs/dbraw/zinc/57/93/01/530579301.db2.gz LSYDXCHIEBBZMW-HZPDHXFCSA-N 2 2 375.535 0.616 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769722 530624550 /nfs/dbraw/zinc/62/45/50/530624550.db2.gz UMSFBTGMQLEZGJ-ZNMIVQPWSA-N 2 2 393.285 0.798 20 0 GCADLP [NH3+][C@@H]1C[C@H]2C[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769722 530624551 /nfs/dbraw/zinc/62/45/51/530624551.db2.gz UMSFBTGMQLEZGJ-ZNMIVQPWSA-N 2 2 393.285 0.798 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@@H](C)O1 ZINC000577842864 530625147 /nfs/dbraw/zinc/62/51/47/530625147.db2.gz JRGKBEJQBDLZDV-FPCVCCKLSA-N 2 2 375.535 0.003 20 0 GCADLP NS(=O)(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000332502353 530647488 /nfs/dbraw/zinc/64/74/88/530647488.db2.gz ZONITCABUGPKCK-UHFFFAOYSA-N 2 2 386.543 0.145 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]([NH3+])CC(F)F)c2)CC1 ZINC000498205467 530651708 /nfs/dbraw/zinc/65/17/08/530651708.db2.gz RFCUOSMQTWTQQT-CYBMUJFWSA-N 2 2 376.429 0.544 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463421575 530658504 /nfs/dbraw/zinc/65/85/04/530658504.db2.gz KTGCMIBFNAIVOX-QGZVFWFLSA-N 2 2 377.551 0.471 20 0 GCADLP CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000467553794 530675116 /nfs/dbraw/zinc/67/51/16/530675116.db2.gz LLTKXSPGFVQWSG-HOCLYGCPSA-N 2 2 376.567 0.435 20 0 GCADLP CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467553794 530675120 /nfs/dbraw/zinc/67/51/20/530675120.db2.gz LLTKXSPGFVQWSG-HOCLYGCPSA-N 2 2 376.567 0.435 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCn2cc(Br)ccc2=O)C[C@@H](C)O1 ZINC000581880232 530763878 /nfs/dbraw/zinc/76/38/78/530763878.db2.gz YBOSZUJCMAFVNC-NFAWXSAZSA-N 2 2 388.306 0.671 20 0 GCADLP CC[N@H+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000516938131 530858072 /nfs/dbraw/zinc/85/80/72/530858072.db2.gz JVXHKTNWDCIYPB-UHFFFAOYSA-N 2 2 387.487 0.441 20 0 GCADLP CC[N@@H+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000516938131 530858074 /nfs/dbraw/zinc/85/80/74/530858074.db2.gz JVXHKTNWDCIYPB-UHFFFAOYSA-N 2 2 387.487 0.441 20 0 GCADLP CC(=O)NCc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000657092192 530873893 /nfs/dbraw/zinc/87/38/93/530873893.db2.gz GORHWBJZQNSMRP-UHFFFAOYSA-N 2 2 376.548 0.546 20 0 GCADLP CC(=O)NCc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000657092192 530873896 /nfs/dbraw/zinc/87/38/96/530873896.db2.gz GORHWBJZQNSMRP-UHFFFAOYSA-N 2 2 376.548 0.546 20 0 GCADLP CC[NH+](CC)CCN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000503460741 530881332 /nfs/dbraw/zinc/88/13/32/530881332.db2.gz KNEQLKSLCJAPKX-HOTGVXAUSA-N 2 2 391.603 0.781 20 0 GCADLP CC[NH+](CC)CCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000503460741 530881335 /nfs/dbraw/zinc/88/13/35/530881335.db2.gz KNEQLKSLCJAPKX-HOTGVXAUSA-N 2 2 391.603 0.781 20 0 GCADLP O=C1C[C@@H]([NH2+]Cc2ccncc2Br)CN1CC[NH+]1CCOCC1 ZINC000631076756 530921635 /nfs/dbraw/zinc/92/16/35/530921635.db2.gz QUJKQDFKCVVPMC-CQSZACIVSA-N 2 2 383.290 0.867 20 0 GCADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000631794264 530948390 /nfs/dbraw/zinc/94/83/90/530948390.db2.gz LGUIDXDRSMQTAG-UHFFFAOYSA-N 2 2 375.457 0.855 20 0 GCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])[nH+]c12 ZINC000419042507 530953430 /nfs/dbraw/zinc/95/34/30/530953430.db2.gz LPGAFCDRFZGOTM-LLVKDONJSA-N 2 2 396.289 0.870 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)[nH+]c12 ZINC000419044381 530953731 /nfs/dbraw/zinc/95/37/31/530953731.db2.gz PQMZEAWGLRYZPR-LLVKDONJSA-N 2 2 394.273 0.842 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)[nH+]c12 ZINC000419047967 530954057 /nfs/dbraw/zinc/95/40/57/530954057.db2.gz YZIKPMHTZPGRAB-CYBMUJFWSA-N 2 2 394.273 0.875 20 0 GCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420129738 530966170 /nfs/dbraw/zinc/96/61/70/530966170.db2.gz XGNHHRBWUKUPPG-MFKMUULPSA-N 2 2 394.273 0.827 20 0 GCADLP CS(=O)(=O)C1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]CC1 ZINC000262392173 530996927 /nfs/dbraw/zinc/99/69/27/530996927.db2.gz OINIRVZQKGUONR-UHFFFAOYSA-N 2 2 389.587 0.631 20 0 GCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000660753484 531009951 /nfs/dbraw/zinc/00/99/51/531009951.db2.gz HXOQNMWZYQOQQP-ZDUSSCGKSA-N 2 2 377.482 0.485 20 0 GCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000660753484 531009952 /nfs/dbraw/zinc/00/99/52/531009952.db2.gz HXOQNMWZYQOQQP-ZDUSSCGKSA-N 2 2 377.482 0.485 20 0 GCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000660753484 531009954 /nfs/dbraw/zinc/00/99/54/531009954.db2.gz HXOQNMWZYQOQQP-ZDUSSCGKSA-N 2 2 377.482 0.485 20 0 GCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000660753484 531009956 /nfs/dbraw/zinc/00/99/56/531009956.db2.gz HXOQNMWZYQOQQP-ZDUSSCGKSA-N 2 2 377.482 0.485 20 0 GCADLP O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1F ZINC000423099256 531016513 /nfs/dbraw/zinc/01/65/13/531016513.db2.gz LUTZIFFEBRVPRG-HOCLYGCPSA-N 2 2 375.441 0.600 20 0 GCADLP O=S(=O)(CC[NH2+]C1(CO)CC[NH2+]CC1)c1cccc(Br)c1 ZINC000662285943 531019540 /nfs/dbraw/zinc/01/95/40/531019540.db2.gz BMIFCMUKDSWKBK-UHFFFAOYSA-N 2 2 377.304 0.927 20 0 GCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662526409 531022185 /nfs/dbraw/zinc/02/21/85/531022185.db2.gz YBYWXNJHXKZDGB-HNNXBMFYSA-N 2 2 383.290 0.729 20 0 GCADLP [NH3+][C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccccc1Br ZINC000662552072 531022264 /nfs/dbraw/zinc/02/22/64/531022264.db2.gz BQVGGRFVCHJYFW-LRDDRELGSA-N 2 2 395.301 0.872 20 0 GCADLP COCCCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000433130770 531127261 /nfs/dbraw/zinc/12/72/61/531127261.db2.gz IPVSZKKYVMXVER-INIZCTEOSA-N 2 2 375.535 0.242 20 0 GCADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000737738773 599070973 /nfs/dbraw/zinc/07/09/73/599070973.db2.gz IEOSOXCGLKEVFM-GOSISDBHSA-N 2 2 399.499 0.827 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735835530 598518302 /nfs/dbraw/zinc/51/83/02/598518302.db2.gz JRKZAJUOMKBVMF-ZIAGYGMSSA-N 2 2 375.481 0.051 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735835530 598518303 /nfs/dbraw/zinc/51/83/03/598518303.db2.gz JRKZAJUOMKBVMF-ZIAGYGMSSA-N 2 2 375.481 0.051 20 0 GCADLP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000738436511 598523922 /nfs/dbraw/zinc/52/39/22/598523922.db2.gz SDNUCRGJUYVKME-CYBMUJFWSA-N 2 2 380.460 0.759 20 0 GCADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737874942 598524841 /nfs/dbraw/zinc/52/48/41/598524841.db2.gz GBWQJAQGVARVHB-UHFFFAOYSA-N 2 2 385.472 0.849 20 0 GCADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736962764 598532155 /nfs/dbraw/zinc/53/21/55/598532155.db2.gz REQGVKBTASGBOW-CYBMUJFWSA-N 2 2 389.508 0.584 20 0 GCADLP CN(C(=O)COc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736851177 598743060 /nfs/dbraw/zinc/74/30/60/598743060.db2.gz GDBFYMRSXLMJBC-KRWDZBQOSA-N 2 2 399.499 0.872 20 0 GCADLP CN(C(=O)COc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736851177 598743062 /nfs/dbraw/zinc/74/30/62/598743062.db2.gz GDBFYMRSXLMJBC-KRWDZBQOSA-N 2 2 399.499 0.872 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736744582 599487926 /nfs/dbraw/zinc/48/79/26/599487926.db2.gz AWWKQNSRGAFQTH-INIZCTEOSA-N 2 2 397.487 0.547 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736744582 599487929 /nfs/dbraw/zinc/48/79/29/599487929.db2.gz AWWKQNSRGAFQTH-INIZCTEOSA-N 2 2 397.487 0.547 20 0 GCADLP C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000819868471 606079547 /nfs/dbraw/zinc/07/95/47/606079547.db2.gz YQPHYRMAKLLNEX-OAHLLOKOSA-N 2 2 386.504 0.763 20 0 GCADLP C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000819868471 606079552 /nfs/dbraw/zinc/07/95/52/606079552.db2.gz YQPHYRMAKLLNEX-OAHLLOKOSA-N 2 2 386.504 0.763 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822996835 606859701 /nfs/dbraw/zinc/85/97/01/606859701.db2.gz JXOIMNRGPZXACU-KRWDZBQOSA-N 2 2 385.472 0.140 20 0 GCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821624099 607074322 /nfs/dbraw/zinc/07/43/22/607074322.db2.gz YYGSUITXIPYIDY-GOSISDBHSA-N 2 2 399.499 0.874 20 0 GCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821624099 607074324 /nfs/dbraw/zinc/07/43/24/607074324.db2.gz YYGSUITXIPYIDY-GOSISDBHSA-N 2 2 399.499 0.874 20 0 GCADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562066 608484358 /nfs/dbraw/zinc/48/43/58/608484358.db2.gz CKWWQMZJGLUUJX-AWEZNQCLSA-N 2 2 387.488 0.744 20 0 GCADLP O=C(NCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccn[nH]1 ZINC000826437506 609168565 /nfs/dbraw/zinc/16/85/65/609168565.db2.gz ONTVVSVXKKNIER-UHFFFAOYSA-N 2 2 395.471 0.574 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826022853 609216740 /nfs/dbraw/zinc/21/67/40/609216740.db2.gz UEBCUWOROPCIHZ-GOSISDBHSA-N 2 2 399.499 0.575 20 0 GCADLP C[C@](O)(C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)F ZINC000905050993 639290233 /nfs/dbraw/zinc/29/02/33/639290233.db2.gz XUPUOBJWORQIFW-HNNXBMFYSA-N 2 2 378.445 0.139 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000750734324 640366919 /nfs/dbraw/zinc/36/69/19/640366919.db2.gz CUDGEQXEPUZCEH-HZPDHXFCSA-N 2 2 391.603 0.781 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000750734324 640366923 /nfs/dbraw/zinc/36/69/23/640366923.db2.gz CUDGEQXEPUZCEH-HZPDHXFCSA-N 2 2 391.603 0.781 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]1CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000775152901 641067877 /nfs/dbraw/zinc/06/78/77/641067877.db2.gz OYEMPHCURDUWMV-TZMCWYRMSA-N 2 2 391.343 0.923 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]1CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000775152901 641067884 /nfs/dbraw/zinc/06/78/84/641067884.db2.gz OYEMPHCURDUWMV-TZMCWYRMSA-N 2 2 391.343 0.923 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCSC(F)(F)F ZINC000788525553 641370989 /nfs/dbraw/zinc/37/09/89/641370989.db2.gz AKZVIVIWFNYHDD-UHFFFAOYSA-N 2 2 384.468 0.840 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCSC(F)(F)F ZINC000788525553 641370993 /nfs/dbraw/zinc/37/09/93/641370993.db2.gz AKZVIVIWFNYHDD-UHFFFAOYSA-N 2 2 384.468 0.840 20 0 GCADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811879815 641763039 /nfs/dbraw/zinc/76/30/39/641763039.db2.gz WMCQNFBQIOOYTJ-OAHLLOKOSA-N 2 2 376.567 0.915 20 0 GCADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811879815 641763043 /nfs/dbraw/zinc/76/30/43/641763043.db2.gz WMCQNFBQIOOYTJ-OAHLLOKOSA-N 2 2 376.567 0.915 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884427377 641784151 /nfs/dbraw/zinc/78/41/51/641784151.db2.gz UEUUWCORTRQQCC-GJZGRUSLSA-N 2 2 386.290 0.600 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@@H](CO)CC1)CC[N@H+]1CCC[C@H](CO)CC1 ZINC000815272330 641825992 /nfs/dbraw/zinc/82/59/92/641825992.db2.gz NKRJYCLUMKVLGV-HDICACEKSA-N 2 2 376.563 0.590 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@@H](CO)CC1)CC[N@@H+]1CCC[C@H](CO)CC1 ZINC000815272330 641826001 /nfs/dbraw/zinc/82/60/01/641826001.db2.gz NKRJYCLUMKVLGV-HDICACEKSA-N 2 2 376.563 0.590 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@H](CO)CC1)CC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000815272330 641826011 /nfs/dbraw/zinc/82/60/11/641826011.db2.gz NKRJYCLUMKVLGV-HDICACEKSA-N 2 2 376.563 0.590 20 0 GCADLP O=S(=O)(CC[NH+]1CCC[C@H](CO)CC1)CC[N@H+]1CCC[C@@H](CO)CC1 ZINC000815272330 641826016 /nfs/dbraw/zinc/82/60/16/641826016.db2.gz NKRJYCLUMKVLGV-HDICACEKSA-N 2 2 376.563 0.590 20 0 GCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817964649 641892625 /nfs/dbraw/zinc/89/26/25/641892625.db2.gz HBEQRMPZNPNENQ-LBPRGKRZSA-N 2 2 375.516 0.944 20 0 GCADLP O=S(=O)(CC[NH+]1CCCC[C@H]1CCO)CC[N@H+]1CCCC[C@@H]1CCO ZINC000109785736 642708341 /nfs/dbraw/zinc/70/83/41/642708341.db2.gz KQQVSSRBJKTMRY-HDICACEKSA-N 2 2 376.563 0.875 20 0 GCADLP O=S(=O)(CC[NH+]1CCCC[C@H]1CCO)CC[N@@H+]1CCCC[C@@H]1CCO ZINC000109785736 642708349 /nfs/dbraw/zinc/70/83/49/642708349.db2.gz KQQVSSRBJKTMRY-HDICACEKSA-N 2 2 376.563 0.875 20 0 GCADLP O=S(=O)(CC[NH+]1CCCC[C@@H]1CCO)CC[N@@H+]1CCCC[C@H]1CCO ZINC000109785736 642708357 /nfs/dbraw/zinc/70/83/57/642708357.db2.gz KQQVSSRBJKTMRY-HDICACEKSA-N 2 2 376.563 0.875 20 0 GCADLP O=S(=O)(CC[NH+]1CCCC[C@@H]1CCO)CC[N@H+]1CCCC[C@H]1CCO ZINC000109785736 642708360 /nfs/dbraw/zinc/70/83/60/642708360.db2.gz KQQVSSRBJKTMRY-HDICACEKSA-N 2 2 376.563 0.875 20 0 GCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652432952 1192221593 /nfs/dbraw/zinc/22/15/93/1192221593.db2.gz JESNSTGVXUOCTC-IBGZPJMESA-N 3 2 393.576 0.558 20 0 GCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652432952 1192221597 /nfs/dbraw/zinc/22/15/97/1192221597.db2.gz JESNSTGVXUOCTC-IBGZPJMESA-N 3 2 393.576 0.558 20 0 GCADLP O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000662051110 1192226103 /nfs/dbraw/zinc/22/61/03/1192226103.db2.gz PBEVYSRYFIMGCQ-REPLKXPHSA-N 2 2 392.544 0.236 20 0 GCADLP O=C1CCCN1C[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000662051110 1192226107 /nfs/dbraw/zinc/22/61/07/1192226107.db2.gz PBEVYSRYFIMGCQ-REPLKXPHSA-N 2 2 392.544 0.236 20 0 GCADLP O=C1CCCN1C[C@H]1CC[NH+](C[C@H](O)C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000662051110 1192226111 /nfs/dbraw/zinc/22/61/11/1192226111.db2.gz PBEVYSRYFIMGCQ-REPLKXPHSA-N 2 2 392.544 0.236 20 0 GCADLP O=C1CCCN1C[C@H]1CC[NH+](C[C@H](O)C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000662051110 1192226114 /nfs/dbraw/zinc/22/61/14/1192226114.db2.gz PBEVYSRYFIMGCQ-REPLKXPHSA-N 2 2 392.544 0.236 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H](CC)CO1 ZINC000652513593 1192234966 /nfs/dbraw/zinc/23/49/66/1192234966.db2.gz DUWWWYGVGZHSON-SJLPKXTDSA-N 2 2 382.549 0.887 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H](CC)CO1 ZINC000652513593 1192234969 /nfs/dbraw/zinc/23/49/69/1192234969.db2.gz DUWWWYGVGZHSON-SJLPKXTDSA-N 2 2 382.549 0.887 20 0 GCADLP C[C@H](C(=O)N(C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000050797339 1192235376 /nfs/dbraw/zinc/23/53/76/1192235376.db2.gz IOGZWTJNKAUESQ-MRXNPFEDSA-N 2 2 390.532 0.577 20 0 GCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663221849 1192254676 /nfs/dbraw/zinc/25/46/76/1192254676.db2.gz SEGAQSLPPGBBSP-HOTGVXAUSA-N 2 2 386.504 0.994 20 0 GCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000636682952 1192262942 /nfs/dbraw/zinc/26/29/42/1192262942.db2.gz WEDCYISDYFFQJU-GOSISDBHSA-N 2 2 392.500 0.263 20 0 GCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000636682952 1192262946 /nfs/dbraw/zinc/26/29/46/1192262946.db2.gz WEDCYISDYFFQJU-GOSISDBHSA-N 2 2 392.500 0.263 20 0 GCADLP COc1cc(CCNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)ccc1OC(F)F ZINC000662286066 1192277041 /nfs/dbraw/zinc/27/70/41/1192277041.db2.gz SMYVWLPBJLUSON-UHFFFAOYSA-N 2 2 387.427 0.659 20 0 GCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336472 1192284539 /nfs/dbraw/zinc/28/45/39/1192284539.db2.gz XVRQQMAIQMOXMD-CABCVRRESA-N 2 2 384.488 0.816 20 0 GCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336472 1192284542 /nfs/dbraw/zinc/28/45/42/1192284542.db2.gz XVRQQMAIQMOXMD-CABCVRRESA-N 2 2 384.488 0.816 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652643410 1192299425 /nfs/dbraw/zinc/29/94/25/1192299425.db2.gz JLVWTKRRQONONQ-UHFFFAOYSA-N 2 2 375.473 0.671 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662466796 1192300901 /nfs/dbraw/zinc/30/09/01/1192300901.db2.gz ZHEMRYXZUZSPFA-MRXNPFEDSA-N 2 2 398.515 0.538 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662673717 1192324835 /nfs/dbraw/zinc/32/48/35/1192324835.db2.gz PLVAUQBAMKWEFE-INIZCTEOSA-N 2 2 378.439 0.931 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662673717 1192324838 /nfs/dbraw/zinc/32/48/38/1192324838.db2.gz PLVAUQBAMKWEFE-INIZCTEOSA-N 2 2 378.439 0.931 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662673718 1192325040 /nfs/dbraw/zinc/32/50/40/1192325040.db2.gz PLVAUQBAMKWEFE-MRXNPFEDSA-N 2 2 378.439 0.931 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662673718 1192325044 /nfs/dbraw/zinc/32/50/44/1192325044.db2.gz PLVAUQBAMKWEFE-MRXNPFEDSA-N 2 2 378.439 0.931 20 0 GCADLP CN(C(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626261579 1192332679 /nfs/dbraw/zinc/33/26/79/1192332679.db2.gz BLYMYTCVQZFUOY-IAGOWNOFSA-N 2 2 393.532 0.676 20 0 GCADLP CN(C(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626261579 1192332682 /nfs/dbraw/zinc/33/26/82/1192332682.db2.gz BLYMYTCVQZFUOY-IAGOWNOFSA-N 2 2 393.532 0.676 20 0 GCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000652666250 1192379989 /nfs/dbraw/zinc/37/99/89/1192379989.db2.gz BMBXHZJNEDEBJC-LJQANCHMSA-N 2 2 388.512 0.510 20 0 GCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000652666250 1192379991 /nfs/dbraw/zinc/37/99/91/1192379991.db2.gz BMBXHZJNEDEBJC-LJQANCHMSA-N 2 2 388.512 0.510 20 0 GCADLP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000663581035 1192401785 /nfs/dbraw/zinc/40/17/85/1192401785.db2.gz YVGAVOVQWYHJSL-RTBURBONSA-N 2 2 393.576 0.955 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153218913 1192412644 /nfs/dbraw/zinc/41/26/44/1192412644.db2.gz NANYKBCLMIZJGF-SJORKVTESA-N 2 2 386.500 0.608 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153218913 1192412649 /nfs/dbraw/zinc/41/26/49/1192412649.db2.gz NANYKBCLMIZJGF-SJORKVTESA-N 2 2 386.500 0.608 20 0 GCADLP CC(C)c1nnc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000512064829 1192422554 /nfs/dbraw/zinc/42/25/54/1192422554.db2.gz SFTFSAXDDPHOMT-UHFFFAOYSA-N 2 2 396.561 0.762 20 0 GCADLP CC(C)c1nnc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000512064829 1192422556 /nfs/dbraw/zinc/42/25/56/1192422556.db2.gz SFTFSAXDDPHOMT-UHFFFAOYSA-N 2 2 396.561 0.762 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278999049 1192432407 /nfs/dbraw/zinc/43/24/07/1192432407.db2.gz MBGBFRLWCZOKJW-HNNXBMFYSA-N 2 2 376.505 0.503 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278999049 1192432410 /nfs/dbraw/zinc/43/24/10/1192432410.db2.gz MBGBFRLWCZOKJW-HNNXBMFYSA-N 2 2 376.505 0.503 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000512105122 1192445934 /nfs/dbraw/zinc/44/59/34/1192445934.db2.gz JTXHLXSWOJQZQS-AEFFLSMTSA-N 2 2 386.500 0.860 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000981641599 1192458063 /nfs/dbraw/zinc/45/80/63/1192458063.db2.gz NNWXNIBPTMODNJ-YYIAUSFCSA-N 2 2 377.489 0.312 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000981641599 1192458064 /nfs/dbraw/zinc/45/80/64/1192458064.db2.gz NNWXNIBPTMODNJ-YYIAUSFCSA-N 2 2 377.489 0.312 20 0 GCADLP CC1(O)CCN(c2cc(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)nc[nH+]2)CC1 ZINC000663739852 1192519315 /nfs/dbraw/zinc/51/93/15/1192519315.db2.gz PHJKPJMLOJEXHB-INIZCTEOSA-N 2 2 388.516 0.746 20 0 GCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000670833382 1192547164 /nfs/dbraw/zinc/54/71/64/1192547164.db2.gz JQMKZGQHZVDARI-ZWKOTPCHSA-N 2 2 381.565 0.365 20 0 GCADLP C[C@H](CN1CCOCC1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279676654 1192575611 /nfs/dbraw/zinc/57/56/11/1192575611.db2.gz GBJMPYYMXNBIIK-GOSISDBHSA-N 2 2 375.517 0.773 20 0 GCADLP C[C@H](CN1CCOCC1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279676654 1192575613 /nfs/dbraw/zinc/57/56/13/1192575613.db2.gz GBJMPYYMXNBIIK-GOSISDBHSA-N 2 2 375.517 0.773 20 0 GCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000418615026 1192617277 /nfs/dbraw/zinc/61/72/77/1192617277.db2.gz LHPQNOGOTBLUFT-KGLIPLIRSA-N 2 2 381.443 0.233 20 0 GCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000418615026 1192617281 /nfs/dbraw/zinc/61/72/81/1192617281.db2.gz LHPQNOGOTBLUFT-KGLIPLIRSA-N 2 2 381.443 0.233 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000418826059 1192657158 /nfs/dbraw/zinc/65/71/58/1192657158.db2.gz FQNVXGYAEGDQCL-UHOSZYNNSA-N 2 2 388.512 0.508 20 0 GCADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000418826059 1192657160 /nfs/dbraw/zinc/65/71/60/1192657160.db2.gz FQNVXGYAEGDQCL-UHOSZYNNSA-N 2 2 388.512 0.508 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418830978 1192658950 /nfs/dbraw/zinc/65/89/50/1192658950.db2.gz KAZORMPVURGKHG-ROUUACIJSA-N 2 2 376.501 0.493 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418830978 1192658955 /nfs/dbraw/zinc/65/89/55/1192658955.db2.gz KAZORMPVURGKHG-ROUUACIJSA-N 2 2 376.501 0.493 20 0 GCADLP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000418833311 1192659994 /nfs/dbraw/zinc/65/99/94/1192659994.db2.gz NCHBSBUTQKEIIG-LJQANCHMSA-N 2 2 388.512 0.462 20 0 GCADLP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000418833311 1192659995 /nfs/dbraw/zinc/65/99/95/1192659995.db2.gz NCHBSBUTQKEIIG-LJQANCHMSA-N 2 2 388.512 0.462 20 0 GCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418838354 1192661590 /nfs/dbraw/zinc/66/15/90/1192661590.db2.gz VAFPBZWGCZQPOR-RXVVDRJESA-N 2 2 386.496 0.216 20 0 GCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418838354 1192661592 /nfs/dbraw/zinc/66/15/92/1192661592.db2.gz VAFPBZWGCZQPOR-RXVVDRJESA-N 2 2 386.496 0.216 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000418840480 1192663232 /nfs/dbraw/zinc/66/32/32/1192663232.db2.gz XRRWYBZAGVKKRX-NZSAHSFTSA-N 2 2 388.512 0.447 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000418840480 1192663237 /nfs/dbraw/zinc/66/32/37/1192663237.db2.gz XRRWYBZAGVKKRX-NZSAHSFTSA-N 2 2 388.512 0.447 20 0 GCADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418894809 1192679633 /nfs/dbraw/zinc/67/96/33/1192679633.db2.gz ZQVUERGLNQBVRB-CZUORRHYSA-N 2 2 377.395 0.539 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418903556 1192685270 /nfs/dbraw/zinc/68/52/70/1192685270.db2.gz BNUPXHOJPBNGLC-FUHWJXTLSA-N 2 2 388.512 0.721 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418903487 1192685284 /nfs/dbraw/zinc/68/52/84/1192685284.db2.gz BHUKLTCTBUMWIW-LPHOPBHVSA-N 2 2 388.512 0.863 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418910313 1192686982 /nfs/dbraw/zinc/68/69/82/1192686982.db2.gz ULDXTZZJLYLXLY-PBHICJAKSA-N 2 2 385.468 0.777 20 0 GCADLP C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000418919897 1192691162 /nfs/dbraw/zinc/69/11/62/1192691162.db2.gz XVLLVRRUBSWHNB-QFBILLFUSA-N 2 2 388.512 0.578 20 0 GCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418919502 1192691948 /nfs/dbraw/zinc/69/19/48/1192691948.db2.gz XHHSEENKWCUMIO-LJQANCHMSA-N 2 2 390.528 0.967 20 0 GCADLP O=C(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000410568922 1192718515 /nfs/dbraw/zinc/71/85/15/1192718515.db2.gz DKMOVWZCDAPBOY-KRWDZBQOSA-N 2 2 378.517 0.254 20 0 GCADLP C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410640324 1192783804 /nfs/dbraw/zinc/78/38/04/1192783804.db2.gz ULJSMIDRNIYMMO-WMZOPIPTSA-N 2 2 382.549 0.623 20 0 GCADLP C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410640324 1192783805 /nfs/dbraw/zinc/78/38/05/1192783805.db2.gz ULJSMIDRNIYMMO-WMZOPIPTSA-N 2 2 382.549 0.623 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419086997 1192783837 /nfs/dbraw/zinc/78/38/37/1192783837.db2.gz PBCVYGUYVLFCOL-XGUBFFRZSA-N 2 2 384.521 0.220 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419086997 1192783842 /nfs/dbraw/zinc/78/38/42/1192783842.db2.gz PBCVYGUYVLFCOL-XGUBFFRZSA-N 2 2 384.521 0.220 20 0 GCADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419119816 1192794392 /nfs/dbraw/zinc/79/43/92/1192794392.db2.gz PHVBJDZAKMVHFK-FGTMMUONSA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000419122757 1192795347 /nfs/dbraw/zinc/79/53/47/1192795347.db2.gz ULVSFBDJGHEUON-OALUTQOASA-N 2 2 394.560 0.840 20 0 GCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419112216 1192799010 /nfs/dbraw/zinc/79/90/10/1192799010.db2.gz UOWZVOHOYQLCGZ-UHFFFAOYSA-N 2 2 393.919 0.400 20 0 GCADLP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCOCC1 ZINC000419117311 1192801660 /nfs/dbraw/zinc/80/16/60/1192801660.db2.gz MEIDQALFVTZVMH-UAGQMJEPSA-N 2 2 398.548 0.469 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000419119410 1192802355 /nfs/dbraw/zinc/80/23/55/1192802355.db2.gz PAYYKCKCBZMCFH-IRXDYDNUSA-N 2 2 382.549 0.744 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419136397 1192808605 /nfs/dbraw/zinc/80/86/05/1192808605.db2.gz OZOVNGPSMLRSJA-MRXNPFEDSA-N 2 2 390.532 0.152 20 0 GCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419139049 1192811995 /nfs/dbraw/zinc/81/19/95/1192811995.db2.gz UCRBLOTVYGTTBO-SJORKVTESA-N 2 2 390.532 0.198 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(CS(N)(=O)=O)cc3)CC2)CC1 ZINC000500854737 1192831425 /nfs/dbraw/zinc/83/14/25/1192831425.db2.gz BJIQJCDWSCQGGT-UHFFFAOYSA-N 2 2 394.541 0.764 20 0 GCADLP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894019155 1192892691 /nfs/dbraw/zinc/89/26/91/1192892691.db2.gz SSEVLBLMLOJMSY-ZBFHGGJFSA-N 2 2 377.489 0.374 20 0 GCADLP CCn1cc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1 ZINC000894016663 1192893490 /nfs/dbraw/zinc/89/34/90/1192893490.db2.gz CWPVOLBTOXRELY-HNNXBMFYSA-N 2 2 386.504 0.234 20 0 GCADLP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000410876067 1192910759 /nfs/dbraw/zinc/91/07/59/1192910759.db2.gz FSOLHFRMAZDKQY-UHFFFAOYSA-N 2 2 385.468 0.824 20 0 GCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000579691685 1184090182 /nfs/dbraw/zinc/09/01/82/1184090182.db2.gz SKWOVFDOXSVLRM-CQSZACIVSA-N 2 2 386.422 0.749 20 0 GCADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000579692197 1184090250 /nfs/dbraw/zinc/09/02/50/1184090250.db2.gz NMHSAXPJVSYFGE-ROUUACIJSA-N 2 2 392.544 0.738 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)c1 ZINC000579690816 1184091006 /nfs/dbraw/zinc/09/10/06/1184091006.db2.gz BOQPIUFGOGYJIX-WMZOPIPTSA-N 2 2 375.517 0.987 20 0 GCADLP Cn1ncc2c1ncnc2N1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000579718707 1184105414 /nfs/dbraw/zinc/10/54/14/1184105414.db2.gz LPXHQHGWKVQKPH-ROUUACIJSA-N 2 2 381.484 0.416 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000579757034 1184135499 /nfs/dbraw/zinc/13/54/99/1184135499.db2.gz WXVJZMUDHAIFKD-AEFFLSMTSA-N 2 2 380.533 0.545 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000579757034 1184135503 /nfs/dbraw/zinc/13/55/03/1184135503.db2.gz WXVJZMUDHAIFKD-AEFFLSMTSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000643544372 1184155025 /nfs/dbraw/zinc/15/50/25/1184155025.db2.gz AEDQNRRTJHUZIA-DLBZAZTESA-N 2 2 378.517 0.158 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000643544375 1184155052 /nfs/dbraw/zinc/15/50/52/1184155052.db2.gz AEDQNRRTJHUZIA-SJORKVTESA-N 2 2 378.517 0.158 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688736 1184186241 /nfs/dbraw/zinc/18/62/41/1184186241.db2.gz ZKETVMLRGCYSIK-SJLPKXTDSA-N 2 2 396.557 0.667 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688736 1184186249 /nfs/dbraw/zinc/18/62/49/1184186249.db2.gz ZKETVMLRGCYSIK-SJLPKXTDSA-N 2 2 396.557 0.667 20 0 GCADLP Cc1cn(C)c(CC(=O)NC2C[NH+](C(C)C)C2)c1C(=O)NC1C[NH+](C(C)C)C1 ZINC000655051638 1184270035 /nfs/dbraw/zinc/27/00/35/1184270035.db2.gz HBCZKARUKBIWOQ-UHFFFAOYSA-N 2 2 389.544 0.907 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069769310 1184375301 /nfs/dbraw/zinc/37/53/01/1184375301.db2.gz WQNBQDPSTOYSCO-AZUAARDMSA-N 2 2 389.544 0.995 20 0 GCADLP COC(=O)C1CC[NH+](CCCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274825162 1184395102 /nfs/dbraw/zinc/39/51/02/1184395102.db2.gz QMXVFLUSJNQOQI-UHFFFAOYSA-N 2 2 390.488 0.442 20 0 GCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2)CC1 ZINC000274952589 1184441281 /nfs/dbraw/zinc/44/12/81/1184441281.db2.gz DTRDNSZRFPEMRA-HXUWFJFHSA-N 2 2 399.539 0.470 20 0 GCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)c2)CC1 ZINC000275039620 1184470350 /nfs/dbraw/zinc/47/03/50/1184470350.db2.gz YCOCXBXDFQCJCH-HXUWFJFHSA-N 2 2 399.539 0.470 20 0 GCADLP CC(C)[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000471224643 1184471664 /nfs/dbraw/zinc/47/16/64/1184471664.db2.gz RMGCBPXPKYFKBH-QGZVFWFLSA-N 2 2 397.545 0.236 20 0 GCADLP COc1cc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)ccc1C ZINC000275217028 1184557434 /nfs/dbraw/zinc/55/74/34/1184557434.db2.gz IWBWBKMEBYFNDC-UHFFFAOYSA-N 2 2 388.512 0.926 20 0 GCADLP C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000328638442 1184577589 /nfs/dbraw/zinc/57/75/89/1184577589.db2.gz BMZGXPUVZZNOTG-MDZRGWNJSA-N 2 2 380.533 0.497 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)CC1 ZINC000275307714 1184595451 /nfs/dbraw/zinc/59/54/51/1184595451.db2.gz QUKLMDUYMRXQGG-UHFFFAOYSA-N 2 2 376.476 0.677 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000275491693 1184688533 /nfs/dbraw/zinc/68/85/33/1184688533.db2.gz PRYZAVYQYWSDBK-HNNXBMFYSA-N 2 2 387.488 0.105 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000275491693 1184688537 /nfs/dbraw/zinc/68/85/37/1184688537.db2.gz PRYZAVYQYWSDBK-HNNXBMFYSA-N 2 2 387.488 0.105 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@@H]3C3CCC3)C2)CC1 ZINC000647035154 1184790134 /nfs/dbraw/zinc/79/01/34/1184790134.db2.gz YPRBMCVLKXFCNG-FUHWJXTLSA-N 2 2 378.517 0.299 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@@H]3C3CCC3)C2)CC1 ZINC000647035154 1184790140 /nfs/dbraw/zinc/79/01/40/1184790140.db2.gz YPRBMCVLKXFCNG-FUHWJXTLSA-N 2 2 378.517 0.299 20 0 GCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000238041442 1184790710 /nfs/dbraw/zinc/79/07/10/1184790710.db2.gz ONLQUXUGSYRJFB-LJQANCHMSA-N 2 2 380.496 0.992 20 0 GCADLP CC(=O)NCC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000047772579 1184799504 /nfs/dbraw/zinc/79/95/04/1184799504.db2.gz TVWBXDIFPXKNJR-UHFFFAOYSA-N 2 2 394.560 0.986 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC2(CCC2)O1 ZINC000579955753 1184825297 /nfs/dbraw/zinc/82/52/97/1184825297.db2.gz IWCUEFFHNQWWJD-INIZCTEOSA-N 2 2 392.544 0.831 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275637893 1184846445 /nfs/dbraw/zinc/84/64/45/1184846445.db2.gz MNZRMLQNYRYKOU-ROUUACIJSA-N 2 2 389.500 0.442 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275637893 1184846451 /nfs/dbraw/zinc/84/64/51/1184846451.db2.gz MNZRMLQNYRYKOU-ROUUACIJSA-N 2 2 389.500 0.442 20 0 GCADLP COc1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000275672308 1184906049 /nfs/dbraw/zinc/90/60/49/1184906049.db2.gz JMWLSENKAJBSTC-UHFFFAOYSA-N 2 2 377.489 0.822 20 0 GCADLP COc1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000275672308 1184906052 /nfs/dbraw/zinc/90/60/52/1184906052.db2.gz JMWLSENKAJBSTC-UHFFFAOYSA-N 2 2 377.489 0.822 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000246384552 1184927585 /nfs/dbraw/zinc/92/75/85/1184927585.db2.gz HVXALXBUZANPKN-QYZOEREBSA-N 2 2 381.565 0.907 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000656084188 1185022604 /nfs/dbraw/zinc/02/26/04/1185022604.db2.gz WFGNTXLDLIXLJZ-INIZCTEOSA-N 2 2 382.549 0.623 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000656084188 1185022611 /nfs/dbraw/zinc/02/26/11/1185022611.db2.gz WFGNTXLDLIXLJZ-INIZCTEOSA-N 2 2 382.549 0.623 20 0 GCADLP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N3CC[NH+](CC)CC3)CC2)CC1 ZINC000580301508 1185144514 /nfs/dbraw/zinc/14/45/14/1185144514.db2.gz QONACQWHZKCAFR-UHFFFAOYSA-N 2 2 379.549 0.169 20 0 GCADLP CC(C)CC[C@H](O)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580304481 1185147498 /nfs/dbraw/zinc/14/74/98/1185147498.db2.gz IHCKFOAOYPSRLJ-KRWDZBQOSA-N 2 2 384.546 0.920 20 0 GCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[N@@H+]1CCCOCC1 ZINC000275846192 1185178628 /nfs/dbraw/zinc/17/86/28/1185178628.db2.gz MKFFFURXUHVFNN-UHFFFAOYSA-N 2 2 389.500 0.349 20 0 GCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[N@H+]1CCCOCC1 ZINC000275846192 1185178632 /nfs/dbraw/zinc/17/86/32/1185178632.db2.gz MKFFFURXUHVFNN-UHFFFAOYSA-N 2 2 389.500 0.349 20 0 GCADLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000046377675 1185296945 /nfs/dbraw/zinc/29/69/45/1185296945.db2.gz UVNUTWSVTCVICZ-OAHLLOKOSA-N 2 2 386.504 0.927 20 0 GCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000046377675 1185296948 /nfs/dbraw/zinc/29/69/48/1185296948.db2.gz UVNUTWSVTCVICZ-OAHLLOKOSA-N 2 2 386.504 0.927 20 0 GCADLP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104315554 1185325423 /nfs/dbraw/zinc/32/54/23/1185325423.db2.gz VBLYGNIRTGPEJJ-KBUPBQIOSA-N 2 2 390.488 0.433 20 0 GCADLP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104315554 1185325428 /nfs/dbraw/zinc/32/54/28/1185325428.db2.gz VBLYGNIRTGPEJJ-KBUPBQIOSA-N 2 2 390.488 0.433 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000656289900 1185340566 /nfs/dbraw/zinc/34/05/66/1185340566.db2.gz UYBMWPGBVUODQB-SFHVURJKSA-N 2 2 395.592 0.707 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000656289900 1185340574 /nfs/dbraw/zinc/34/05/74/1185340574.db2.gz UYBMWPGBVUODQB-SFHVURJKSA-N 2 2 395.592 0.707 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000610461025 1185342024 /nfs/dbraw/zinc/34/20/24/1185342024.db2.gz URRKGTGDQGZPDW-RDJZCZTQSA-N 2 2 396.532 0.907 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000610461025 1185342032 /nfs/dbraw/zinc/34/20/32/1185342032.db2.gz URRKGTGDQGZPDW-RDJZCZTQSA-N 2 2 396.532 0.907 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000656290486 1185343606 /nfs/dbraw/zinc/34/36/06/1185343606.db2.gz ZQHZJXXHUBXMEL-SQNIBIBYSA-N 2 2 380.533 0.593 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000656290486 1185343609 /nfs/dbraw/zinc/34/36/09/1185343609.db2.gz ZQHZJXXHUBXMEL-SQNIBIBYSA-N 2 2 380.533 0.593 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000656304620 1185379159 /nfs/dbraw/zinc/37/91/59/1185379159.db2.gz CWQBDNPFXIATTO-XLAORIBOSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000656304620 1185379164 /nfs/dbraw/zinc/37/91/64/1185379164.db2.gz CWQBDNPFXIATTO-XLAORIBOSA-N 2 2 382.549 0.837 20 0 GCADLP CN(C(=O)N[C@H]1C[C@H]2CCCCN2C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656305370 1185380251 /nfs/dbraw/zinc/38/02/51/1185380251.db2.gz SLAIRBQZMYCQHW-SQNIBIBYSA-N 2 2 377.533 0.950 20 0 GCADLP CN(C(=O)N[C@H]1C[C@H]2CCCCN2C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656305370 1185380255 /nfs/dbraw/zinc/38/02/55/1185380255.db2.gz SLAIRBQZMYCQHW-SQNIBIBYSA-N 2 2 377.533 0.950 20 0 GCADLP C[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)[NH+]3CCOCC3)cn2)CC1 ZINC000061136655 1185409879 /nfs/dbraw/zinc/40/98/79/1185409879.db2.gz WJOAGOGTJBWFBO-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCC([NH3+])CC3)CC2)cc1C ZINC000581011237 1185468829 /nfs/dbraw/zinc/46/88/29/1185468829.db2.gz ANNYIWIYZVPVGS-UHFFFAOYSA-N 2 2 394.541 0.559 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000581000822 1185468944 /nfs/dbraw/zinc/46/89/44/1185468944.db2.gz SMLVMZLFTBRYQC-HXUWFJFHSA-N 2 2 388.560 0.608 20 0 GCADLP Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1N ZINC000648152493 1185503525 /nfs/dbraw/zinc/50/35/25/1185503525.db2.gz QHVLUVDXWHXJNQ-UHFFFAOYSA-N 2 2 387.528 0.888 20 0 GCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430545510 1185568032 /nfs/dbraw/zinc/56/80/32/1185568032.db2.gz BILZFHYVYGHNFU-VQIMIIECSA-N 2 2 388.512 0.834 20 0 GCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430545510 1185568038 /nfs/dbraw/zinc/56/80/38/1185568038.db2.gz BILZFHYVYGHNFU-VQIMIIECSA-N 2 2 388.512 0.834 20 0 GCADLP C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)CC(C)(C)C[NH3+] ZINC000430548959 1185569343 /nfs/dbraw/zinc/56/93/43/1185569343.db2.gz WWQNIHROLHGXOS-UHFFFAOYSA-N 2 2 382.530 0.436 20 0 GCADLP C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)CC(C)(C)C[NH3+] ZINC000430548959 1185569346 /nfs/dbraw/zinc/56/93/46/1185569346.db2.gz WWQNIHROLHGXOS-UHFFFAOYSA-N 2 2 382.530 0.436 20 0 GCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CC1 ZINC000430548109 1185570842 /nfs/dbraw/zinc/57/08/42/1185570842.db2.gz GDRJWLHOERWXDD-IBGZPJMESA-N 2 2 394.541 0.378 20 0 GCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000430549967 1185572462 /nfs/dbraw/zinc/57/24/62/1185572462.db2.gz FHEQLSQSLIUYJU-HXUWFJFHSA-N 2 2 376.501 0.738 20 0 GCADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000430577030 1185629143 /nfs/dbraw/zinc/62/91/43/1185629143.db2.gz BQERNIHGEKLEFE-SFHVURJKSA-N 2 2 396.513 0.363 20 0 GCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000430576153 1185632832 /nfs/dbraw/zinc/63/28/32/1185632832.db2.gz VYMUDYCOJMVOMD-SFHVURJKSA-N 2 2 398.529 0.609 20 0 GCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000430584812 1185640665 /nfs/dbraw/zinc/64/06/65/1185640665.db2.gz OZWCDKKCHQAHDO-GOSISDBHSA-N 2 2 382.530 0.483 20 0 GCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000430595439 1185668484 /nfs/dbraw/zinc/66/84/84/1185668484.db2.gz XVKXMLGUEOZIFL-INIZCTEOSA-N 2 2 388.520 0.317 20 0 GCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000430595439 1185668489 /nfs/dbraw/zinc/66/84/89/1185668489.db2.gz XVKXMLGUEOZIFL-INIZCTEOSA-N 2 2 388.520 0.317 20 0 GCADLP [NH3+]CCCOC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000430598847 1185677087 /nfs/dbraw/zinc/67/70/87/1185677087.db2.gz ULFHCDZEEIACHB-UHFFFAOYSA-N 3 2 396.576 0.968 20 0 GCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419507099 1185692801 /nfs/dbraw/zinc/69/28/01/1185692801.db2.gz OULOYMRYSXLLCP-DLBZAZTESA-N 2 2 391.491 0.450 20 0 GCADLP C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000430617696 1185786779 /nfs/dbraw/zinc/78/67/79/1185786779.db2.gz OJYRPGPQHZDZAU-GDBMZVCRSA-N 2 2 386.504 0.214 20 0 GCADLP COCCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430632422 1185821680 /nfs/dbraw/zinc/82/16/80/1185821680.db2.gz XMPCRQXDOFFOBR-CQSZACIVSA-N 2 2 383.518 0.429 20 0 GCADLP COCCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430632422 1185821689 /nfs/dbraw/zinc/82/16/89/1185821689.db2.gz XMPCRQXDOFFOBR-CQSZACIVSA-N 2 2 383.518 0.429 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@]23C[C@H]2COC32CCC2)CC1 ZINC000933391660 1185870395 /nfs/dbraw/zinc/87/03/95/1185870395.db2.gz VSXDMUXTIUBIOY-VBKZILBWSA-N 2 2 397.483 0.313 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000051202171 1185875795 /nfs/dbraw/zinc/87/57/95/1185875795.db2.gz OVUBYKLQMXZSFR-INIZCTEOSA-N 2 2 396.532 0.368 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000051202171 1185875800 /nfs/dbraw/zinc/87/58/00/1185875800.db2.gz OVUBYKLQMXZSFR-INIZCTEOSA-N 2 2 396.532 0.368 20 0 GCADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000891529246 1185906166 /nfs/dbraw/zinc/90/61/66/1185906166.db2.gz VONNPHYMWVCBST-VQIMIIECSA-N 2 2 375.517 0.987 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559239 1185920190 /nfs/dbraw/zinc/92/01/90/1185920190.db2.gz CXWBDIMSGDWGQV-WMZOPIPTSA-N 3 2 379.549 0.613 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559239 1185920196 /nfs/dbraw/zinc/92/01/96/1185920196.db2.gz CXWBDIMSGDWGQV-WMZOPIPTSA-N 3 2 379.549 0.613 20 0 GCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000430673864 1185944215 /nfs/dbraw/zinc/94/42/15/1185944215.db2.gz GUHGVKCQLYDGFB-UXHICEINSA-N 2 2 383.496 0.734 20 0 GCADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)[nH+]c12 ZINC000891625988 1185948634 /nfs/dbraw/zinc/94/86/34/1185948634.db2.gz AHZCLTQHENJYBO-BBWFWOEESA-N 2 2 398.467 0.762 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022218692 1185952067 /nfs/dbraw/zinc/95/20/67/1185952067.db2.gz AXMDRTUTRFLVEE-BVIKNXMNSA-N 2 2 383.496 0.679 20 0 GCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000564649682 1185956056 /nfs/dbraw/zinc/95/60/56/1185956056.db2.gz MMWPZDPORQCWRK-DLBZAZTESA-N 3 2 381.546 0.641 20 0 GCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083717537 1185960872 /nfs/dbraw/zinc/96/08/72/1185960872.db2.gz QKOUAKNEMMAWNJ-OAHLLOKOSA-N 2 2 379.509 0.228 20 0 GCADLP O=S(=O)(c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1)N1CCOCC1 ZINC000581937758 1185997954 /nfs/dbraw/zinc/99/79/54/1185997954.db2.gz MKOGHROESVIJQK-RTBURBONSA-N 2 2 395.525 0.564 20 0 GCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430713287 1186022284 /nfs/dbraw/zinc/02/22/84/1186022284.db2.gz GUULPGWSKNCUOB-OAHLLOKOSA-N 2 2 383.518 0.023 20 0 GCADLP [NH3+]CC1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000430718619 1186022771 /nfs/dbraw/zinc/02/27/71/1186022771.db2.gz XSNYQZSSEQWUTK-UHFFFAOYSA-N 2 2 395.529 0.169 20 0 GCADLP O=C(CN1CC[NH2+]CC1=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000430786381 1186029186 /nfs/dbraw/zinc/02/91/86/1186029186.db2.gz ASSGATZOUUIOTL-UHFFFAOYSA-N 2 2 378.448 0.217 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000430781629 1186029622 /nfs/dbraw/zinc/02/96/22/1186029622.db2.gz UQTBMRNJOLTCMA-HUUCEWRRSA-N 2 2 390.475 0.747 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000430781629 1186029629 /nfs/dbraw/zinc/02/96/29/1186029629.db2.gz UQTBMRNJOLTCMA-HUUCEWRRSA-N 2 2 390.475 0.747 20 0 GCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC000430938405 1186056716 /nfs/dbraw/zinc/05/67/16/1186056716.db2.gz HYBIXLAMRNBDID-MRXNPFEDSA-N 2 2 394.541 0.758 20 0 GCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC000430938405 1186056722 /nfs/dbraw/zinc/05/67/22/1186056722.db2.gz HYBIXLAMRNBDID-MRXNPFEDSA-N 2 2 394.541 0.758 20 0 GCADLP CCOC1CC(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)([NH+]2CCOCC2)C1 ZINC000891858401 1186100759 /nfs/dbraw/zinc/10/07/59/1186100759.db2.gz PECMMDJGIZDRAZ-HPUBIQBYSA-N 2 2 390.475 0.800 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000933843102 1186108212 /nfs/dbraw/zinc/10/82/12/1186108212.db2.gz WFWGXMBEOSRMCK-JXFKEZNVSA-N 2 2 381.517 0.709 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000933843102 1186108214 /nfs/dbraw/zinc/10/82/14/1186108214.db2.gz WFWGXMBEOSRMCK-JXFKEZNVSA-N 2 2 381.517 0.709 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000933843108 1186108223 /nfs/dbraw/zinc/10/82/23/1186108223.db2.gz WFWGXMBEOSRMCK-OXQOHEQNSA-N 2 2 381.517 0.709 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000933843108 1186108226 /nfs/dbraw/zinc/10/82/26/1186108226.db2.gz WFWGXMBEOSRMCK-OXQOHEQNSA-N 2 2 381.517 0.709 20 0 GCADLP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001087181254 1186117043 /nfs/dbraw/zinc/11/70/43/1186117043.db2.gz IZEJCELACMVQBM-WCXIOVBPSA-N 2 2 393.536 0.519 20 0 GCADLP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001087181254 1186117048 /nfs/dbraw/zinc/11/70/48/1186117048.db2.gz IZEJCELACMVQBM-WCXIOVBPSA-N 2 2 393.536 0.519 20 0 GCADLP CCC(CC)[C@@H](CNC(=O)NC1CC[NH+](CC(=O)NC)CC1)[NH+]1CCOCC1 ZINC000048506598 1186125344 /nfs/dbraw/zinc/12/53/44/1186125344.db2.gz HVHWVIZWRYJHIF-GOSISDBHSA-N 2 2 397.564 0.633 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H](C)[C@H](C)[NH3+])cc2)CC1 ZINC000277100333 1186239597 /nfs/dbraw/zinc/23/95/97/1186239597.db2.gz TUZIYDAVQLOFBT-SJORKVTESA-N 2 2 390.528 0.872 20 0 GCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H](C)[C@H](C)[NH3+])cc2)CC1 ZINC000277100330 1186239696 /nfs/dbraw/zinc/23/96/96/1186239696.db2.gz TUZIYDAVQLOFBT-IRXDYDNUSA-N 2 2 390.528 0.872 20 0 GCADLP CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849642 1186255720 /nfs/dbraw/zinc/25/57/20/1186255720.db2.gz LAVZCPYZNLHPSV-QZTJIDSGSA-N 2 2 395.548 0.034 20 0 GCADLP CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849642 1186255727 /nfs/dbraw/zinc/25/57/27/1186255727.db2.gz LAVZCPYZNLHPSV-QZTJIDSGSA-N 2 2 395.548 0.034 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000684646646 1186295141 /nfs/dbraw/zinc/29/51/41/1186295141.db2.gz RUXTWDYUCSZTLR-UHFFFAOYSA-N 2 2 399.495 0.391 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000684646646 1186295150 /nfs/dbraw/zinc/29/51/50/1186295150.db2.gz RUXTWDYUCSZTLR-UHFFFAOYSA-N 2 2 399.495 0.391 20 0 GCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000582038542 1186378589 /nfs/dbraw/zinc/37/85/89/1186378589.db2.gz SKRIJILLDLJFLL-QGZVFWFLSA-N 2 2 382.549 0.399 20 0 GCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000582038542 1186378596 /nfs/dbraw/zinc/37/85/96/1186378596.db2.gz SKRIJILLDLJFLL-QGZVFWFLSA-N 2 2 382.549 0.399 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000582076189 1186399422 /nfs/dbraw/zinc/39/94/22/1186399422.db2.gz FQRKQWIJGWJVLH-FGTMMUONSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000582076189 1186399423 /nfs/dbraw/zinc/39/94/23/1186399423.db2.gz FQRKQWIJGWJVLH-FGTMMUONSA-N 2 2 382.549 0.791 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+]C2(C3CC3)CCOCC2)CC1 ZINC000375702379 1186523737 /nfs/dbraw/zinc/52/37/37/1186523737.db2.gz SKXQGORVWHJLQP-UHFFFAOYSA-N 2 2 399.499 0.561 20 0 GCADLP O=C(CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)NCC[NH+]1CCCCCC1 ZINC000431444985 1186564764 /nfs/dbraw/zinc/56/47/64/1186564764.db2.gz KPJRXFYOCIVWPF-QGZVFWFLSA-N 2 2 388.516 0.952 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC000972253787 1186567224 /nfs/dbraw/zinc/56/72/24/1186567224.db2.gz BBAMQPAUMAXOOL-YFHUEUNASA-N 2 2 382.468 0.788 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000582619965 1186588046 /nfs/dbraw/zinc/58/80/46/1186588046.db2.gz MDGOPSVECKZIIK-NUJGCVRESA-N 2 2 379.549 0.116 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000582619965 1186588049 /nfs/dbraw/zinc/58/80/49/1186588049.db2.gz MDGOPSVECKZIIK-NUJGCVRESA-N 2 2 379.549 0.116 20 0 GCADLP CN(C(=O)[C@@H]1CCCSC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000582639294 1186594114 /nfs/dbraw/zinc/59/41/14/1186594114.db2.gz WEACUVYQUKXUST-MRXNPFEDSA-N 2 2 382.574 0.826 20 0 GCADLP C[C@@H](CNc1ccnc(NC[C@H](C)N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC000892279662 1186610986 /nfs/dbraw/zinc/61/09/86/1186610986.db2.gz BFFIYIXIVHMGCS-ROUUACIJSA-N 2 2 390.580 0.572 20 0 GCADLP CN(C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000582727491 1186625947 /nfs/dbraw/zinc/62/59/47/1186625947.db2.gz XEIRRDGWPZKUDC-DYESRHJHSA-N 3 2 391.560 0.073 20 0 GCADLP C[C@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000077780948 1186654872 /nfs/dbraw/zinc/65/48/72/1186654872.db2.gz GBEMHEJPBSQNOH-MRXNPFEDSA-N 2 2 376.505 0.353 20 0 GCADLP CC(C)[NH+]1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000027422407 1186655594 /nfs/dbraw/zinc/65/55/94/1186655594.db2.gz FJPOZTILNPLCII-UHFFFAOYSA-N 2 2 386.504 0.038 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000153290807 1186664864 /nfs/dbraw/zinc/66/48/64/1186664864.db2.gz RDGNJZAOXICASG-NEWSRXKRSA-N 2 2 376.501 0.642 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000153290807 1186664866 /nfs/dbraw/zinc/66/48/66/1186664866.db2.gz RDGNJZAOXICASG-NEWSRXKRSA-N 2 2 376.501 0.642 20 0 GCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000582844080 1186710086 /nfs/dbraw/zinc/71/00/86/1186710086.db2.gz QVIAVLKEULXCIQ-AWEZNQCLSA-N 2 2 378.477 0.126 20 0 GCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000582844080 1186710090 /nfs/dbraw/zinc/71/00/90/1186710090.db2.gz QVIAVLKEULXCIQ-AWEZNQCLSA-N 2 2 378.477 0.126 20 0 GCADLP Cc1nccnc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685049435 1186728735 /nfs/dbraw/zinc/72/87/35/1186728735.db2.gz MUCXYEPYFDGKBA-KRWDZBQOSA-N 2 2 387.532 0.785 20 0 GCADLP Cc1nccnc1N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685049435 1186728738 /nfs/dbraw/zinc/72/87/38/1186728738.db2.gz MUCXYEPYFDGKBA-KRWDZBQOSA-N 2 2 387.532 0.785 20 0 GCADLP O=S1(=O)CC[C@@](O)(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631148181 1186736976 /nfs/dbraw/zinc/73/69/76/1186736976.db2.gz KQBIQHWISVBXQF-GOSISDBHSA-N 2 2 384.498 0.037 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000582991019 1186743091 /nfs/dbraw/zinc/74/30/91/1186743091.db2.gz TTZAGCJSOVWCFL-VDCDIQELSA-N 2 2 392.544 0.828 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@H+]1C1CC1 ZINC000582991019 1186743093 /nfs/dbraw/zinc/74/30/93/1186743093.db2.gz TTZAGCJSOVWCFL-VDCDIQELSA-N 2 2 392.544 0.828 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000582991018 1186743327 /nfs/dbraw/zinc/74/33/27/1186743327.db2.gz TTZAGCJSOVWCFL-NRUGXNMXSA-N 2 2 392.544 0.828 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000582991018 1186743329 /nfs/dbraw/zinc/74/33/29/1186743329.db2.gz TTZAGCJSOVWCFL-NRUGXNMXSA-N 2 2 392.544 0.828 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000582991018 1186743331 /nfs/dbraw/zinc/74/33/31/1186743331.db2.gz TTZAGCJSOVWCFL-NRUGXNMXSA-N 2 2 392.544 0.828 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000582991018 1186743332 /nfs/dbraw/zinc/74/33/32/1186743332.db2.gz TTZAGCJSOVWCFL-NRUGXNMXSA-N 2 2 392.544 0.828 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1CC[NH2+]CCCO ZINC001104439911 1186768971 /nfs/dbraw/zinc/76/89/71/1186768971.db2.gz XUSUEFIOVSNORZ-MKXGPGLRSA-N 2 2 383.533 0.323 20 0 GCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000685080605 1186773311 /nfs/dbraw/zinc/77/33/11/1186773311.db2.gz JRTJBQXMROIEEF-OALUTQOASA-N 2 2 394.560 0.794 20 0 GCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000685080605 1186773315 /nfs/dbraw/zinc/77/33/15/1186773315.db2.gz JRTJBQXMROIEEF-OALUTQOASA-N 2 2 394.560 0.794 20 0 GCADLP CC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000583138030 1186778885 /nfs/dbraw/zinc/77/88/85/1186778885.db2.gz GPHVDEDBHKYDHR-ROUUACIJSA-N 2 2 392.544 0.548 20 0 GCADLP CC[C@H]1CN(c2nnc(C)n2CCC[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001744976342 1186791474 /nfs/dbraw/zinc/79/14/74/1186791474.db2.gz JXMXNNUTYAMFPU-RBUKOAKNSA-N 2 2 392.548 0.856 20 0 GCADLP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657745480 1186806363 /nfs/dbraw/zinc/80/63/63/1186806363.db2.gz QTOJOTWDIOLEDJ-GOSISDBHSA-N 2 2 378.517 0.396 20 0 GCADLP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657745171 1186808394 /nfs/dbraw/zinc/80/83/94/1186808394.db2.gz ONKORFKGHMTJBB-LJQANCHMSA-N 2 2 394.560 0.890 20 0 GCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)C1 ZINC000657745174 1186808466 /nfs/dbraw/zinc/80/84/66/1186808466.db2.gz ORNHLZBNFMCHGT-FXAWDEMLSA-N 2 2 378.517 0.254 20 0 GCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)C1 ZINC000657745174 1186808467 /nfs/dbraw/zinc/80/84/67/1186808467.db2.gz ORNHLZBNFMCHGT-FXAWDEMLSA-N 2 2 378.517 0.254 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000155666568 1186821129 /nfs/dbraw/zinc/82/11/29/1186821129.db2.gz NDAJNAGIJBCTNF-QWHCGFSZSA-N 2 2 379.427 0.475 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000155666568 1186821134 /nfs/dbraw/zinc/82/11/34/1186821134.db2.gz NDAJNAGIJBCTNF-QWHCGFSZSA-N 2 2 379.427 0.475 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000155666678 1186821202 /nfs/dbraw/zinc/82/12/02/1186821202.db2.gz NDAJNAGIJBCTNF-STQMWFEESA-N 2 2 379.427 0.475 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000155666678 1186821205 /nfs/dbraw/zinc/82/12/05/1186821205.db2.gz NDAJNAGIJBCTNF-STQMWFEESA-N 2 2 379.427 0.475 20 0 GCADLP CCCCN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000583381966 1186839473 /nfs/dbraw/zinc/83/94/73/1186839473.db2.gz YMUAFSJGGDFTKN-ZIAGYGMSSA-N 2 2 394.520 0.743 20 0 GCADLP CCCCN(C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000583381966 1186839479 /nfs/dbraw/zinc/83/94/79/1186839479.db2.gz YMUAFSJGGDFTKN-ZIAGYGMSSA-N 2 2 394.520 0.743 20 0 GCADLP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000583430658 1186853229 /nfs/dbraw/zinc/85/32/29/1186853229.db2.gz WCIXCZDFCFZQLN-IEBWSBKVSA-N 2 2 382.468 0.843 20 0 GCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H](OC)C[C@@H]3C[NH3+])CC2)cc1 ZINC000583444291 1186856932 /nfs/dbraw/zinc/85/69/32/1186856932.db2.gz VINBIMMPICRGQJ-UYAOXDASSA-N 2 2 390.528 0.778 20 0 GCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H](OC)C[C@H]3C[NH3+])CC2)cc1 ZINC000583444289 1186857230 /nfs/dbraw/zinc/85/72/30/1186857230.db2.gz VINBIMMPICRGQJ-ICSRJNTNSA-N 2 2 390.528 0.778 20 0 GCADLP NC(=O)C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000472288360 1186863371 /nfs/dbraw/zinc/86/33/71/1186863371.db2.gz SBAABNLJHPTOQU-KRWDZBQOSA-N 2 2 388.512 0.722 20 0 GCADLP NC(=O)C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000472288360 1186863372 /nfs/dbraw/zinc/86/33/72/1186863372.db2.gz SBAABNLJHPTOQU-KRWDZBQOSA-N 2 2 388.512 0.722 20 0 GCADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000583500555 1186872941 /nfs/dbraw/zinc/87/29/41/1186872941.db2.gz IJTXVWRUDUUQMM-UHFFFAOYSA-N 2 2 384.502 0.053 20 0 GCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000583500555 1186872945 /nfs/dbraw/zinc/87/29/45/1186872945.db2.gz IJTXVWRUDUUQMM-UHFFFAOYSA-N 2 2 384.502 0.053 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000583585752 1186892362 /nfs/dbraw/zinc/89/23/62/1186892362.db2.gz NWJMZONRJQNMQO-ROUUACIJSA-N 2 2 394.560 0.936 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000583585752 1186892366 /nfs/dbraw/zinc/89/23/66/1186892366.db2.gz NWJMZONRJQNMQO-ROUUACIJSA-N 2 2 394.560 0.936 20 0 GCADLP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000685176406 1186912178 /nfs/dbraw/zinc/91/21/78/1186912178.db2.gz BSJBZRBZQSJUBB-OLZOCXBDSA-N 2 2 382.427 0.212 20 0 GCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000685176406 1186912179 /nfs/dbraw/zinc/91/21/79/1186912179.db2.gz BSJBZRBZQSJUBB-OLZOCXBDSA-N 2 2 382.427 0.212 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)CCC(F)(F)F ZINC000685176406 1186912181 /nfs/dbraw/zinc/91/21/81/1186912181.db2.gz BSJBZRBZQSJUBB-OLZOCXBDSA-N 2 2 382.427 0.212 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)CCC(F)(F)F ZINC000685176406 1186912182 /nfs/dbraw/zinc/91/21/82/1186912182.db2.gz BSJBZRBZQSJUBB-OLZOCXBDSA-N 2 2 382.427 0.212 20 0 GCADLP CC(C)C[C@@H](CCO)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685179195 1186915054 /nfs/dbraw/zinc/91/50/54/1186915054.db2.gz XOGHFRHUZCPYSV-MJGOQNOKSA-N 2 2 396.576 0.774 20 0 GCADLP CC(C)C[C@@H](CCO)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685179195 1186915057 /nfs/dbraw/zinc/91/50/57/1186915057.db2.gz XOGHFRHUZCPYSV-MJGOQNOKSA-N 2 2 396.576 0.774 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000583718972 1186926612 /nfs/dbraw/zinc/92/66/12/1186926612.db2.gz NUGSLBMLYOBTIS-CVEARBPZSA-N 2 2 377.489 0.273 20 0 GCADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000583741500 1186929136 /nfs/dbraw/zinc/92/91/36/1186929136.db2.gz JWXUOYFLPKVTAY-HUUCEWRRSA-N 2 2 379.530 0.957 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000583741499 1186929205 /nfs/dbraw/zinc/92/92/05/1186929205.db2.gz JWXUOYFLPKVTAY-GJZGRUSLSA-N 2 2 379.530 0.957 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000583749252 1186931155 /nfs/dbraw/zinc/93/11/55/1186931155.db2.gz AIHMYUJMAZAWFK-QZTJIDSGSA-N 2 2 384.484 0.661 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000583749252 1186931156 /nfs/dbraw/zinc/93/11/56/1186931156.db2.gz AIHMYUJMAZAWFK-QZTJIDSGSA-N 2 2 384.484 0.661 20 0 GCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000250291446 1186936780 /nfs/dbraw/zinc/93/67/80/1186936780.db2.gz TVJCUKCSTMVANN-KZNAEPCWSA-N 2 2 393.576 0.589 20 0 GCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)CC1 ZINC000329471807 1186946553 /nfs/dbraw/zinc/94/65/53/1186946553.db2.gz ZGLPJNGNDABMTG-UHFFFAOYSA-N 2 2 393.557 0.966 20 0 GCADLP COC(=O)[C@@]1(NC[C@H](O)C[NH+]2CCOCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611795883 1186969677 /nfs/dbraw/zinc/96/96/77/1186969677.db2.gz MNLJPVVVWZHYPL-PZJWPPBQSA-N 2 2 391.512 0.477 20 0 GCADLP COC(=O)[C@@]1(NC[C@H](O)C[NH+]2CCOCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611795883 1186969679 /nfs/dbraw/zinc/96/96/79/1186969679.db2.gz MNLJPVVVWZHYPL-PZJWPPBQSA-N 2 2 391.512 0.477 20 0 GCADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001719719205 1186970079 /nfs/dbraw/zinc/97/00/79/1186970079.db2.gz HLUMSJBCXOHOBB-KLHDSHLOSA-N 2 2 377.489 0.302 20 0 GCADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001719719205 1186970083 /nfs/dbraw/zinc/97/00/83/1186970083.db2.gz HLUMSJBCXOHOBB-KLHDSHLOSA-N 2 2 377.489 0.302 20 0 GCADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000127191954 1186983663 /nfs/dbraw/zinc/98/36/63/1186983663.db2.gz GZPNYYDCJUQVTB-KRWDZBQOSA-N 3 2 395.573 0.853 20 0 GCADLP COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375743791 1186994684 /nfs/dbraw/zinc/99/46/84/1186994684.db2.gz LSXVKFANOWXDQS-HOCLYGCPSA-N 2 2 384.521 0.811 20 0 GCADLP COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375743791 1186994686 /nfs/dbraw/zinc/99/46/86/1186994686.db2.gz LSXVKFANOWXDQS-HOCLYGCPSA-N 2 2 384.521 0.811 20 0 GCADLP CN1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@H+](C)CC1 ZINC000892370159 1187001773 /nfs/dbraw/zinc/00/17/73/1187001773.db2.gz NKUTUBPKBNOVFT-UHFFFAOYSA-N 2 2 389.548 0.222 20 0 GCADLP CN1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@@H+](C)CC1 ZINC000892370159 1187001779 /nfs/dbraw/zinc/00/17/79/1187001779.db2.gz NKUTUBPKBNOVFT-UHFFFAOYSA-N 2 2 389.548 0.222 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276384 1187017935 /nfs/dbraw/zinc/01/79/35/1187017935.db2.gz OABCXHMBRWRYND-GPMSIDNRSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276384 1187017937 /nfs/dbraw/zinc/01/79/37/1187017937.db2.gz OABCXHMBRWRYND-GPMSIDNRSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000685276384 1187017940 /nfs/dbraw/zinc/01/79/40/1187017940.db2.gz OABCXHMBRWRYND-GPMSIDNRSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000685276384 1187017944 /nfs/dbraw/zinc/01/79/44/1187017944.db2.gz OABCXHMBRWRYND-GPMSIDNRSA-N 3 2 391.560 0.355 20 0 GCADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000584351887 1187037382 /nfs/dbraw/zinc/03/73/82/1187037382.db2.gz SXVQBTZYXOQLHQ-MRXNPFEDSA-N 2 2 376.457 0.731 20 0 GCADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000584351887 1187037384 /nfs/dbraw/zinc/03/73/84/1187037384.db2.gz SXVQBTZYXOQLHQ-MRXNPFEDSA-N 2 2 376.457 0.731 20 0 GCADLP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642943915 1187039483 /nfs/dbraw/zinc/03/94/83/1187039483.db2.gz UNAZNMODMWUBEB-OALUTQOASA-N 3 2 393.576 0.637 20 0 GCADLP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642943915 1187039487 /nfs/dbraw/zinc/03/94/87/1187039487.db2.gz UNAZNMODMWUBEB-OALUTQOASA-N 3 2 393.576 0.637 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)CCNC4=O)C2)CC1 ZINC000657845822 1187042418 /nfs/dbraw/zinc/04/24/18/1187042418.db2.gz QGUFVLPPKJASNT-INIZCTEOSA-N 2 2 399.495 0.196 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)CCNC4=O)C2)CC1 ZINC000657845822 1187042420 /nfs/dbraw/zinc/04/24/20/1187042420.db2.gz QGUFVLPPKJASNT-INIZCTEOSA-N 2 2 399.495 0.196 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000083694601 1187051894 /nfs/dbraw/zinc/05/18/94/1187051894.db2.gz SZQZNKSTQTWRHC-RBUKOAKNSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000083694601 1187051899 /nfs/dbraw/zinc/05/18/99/1187051899.db2.gz SZQZNKSTQTWRHC-RBUKOAKNSA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000083694595 1187052196 /nfs/dbraw/zinc/05/21/96/1187052196.db2.gz SZQZNKSTQTWRHC-OALUTQOASA-N 2 2 376.501 0.595 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000083694595 1187052201 /nfs/dbraw/zinc/05/22/01/1187052201.db2.gz SZQZNKSTQTWRHC-OALUTQOASA-N 2 2 376.501 0.595 20 0 GCADLP CN(C(=O)C[C@@H]1CCCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000087318229 1187056038 /nfs/dbraw/zinc/05/60/38/1187056038.db2.gz VZZRKDKIGSDIPW-SFHVURJKSA-N 2 2 380.533 0.642 20 0 GCADLP C[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000584422193 1187057104 /nfs/dbraw/zinc/05/71/04/1187057104.db2.gz PNCYRJFLUPMQCE-JLSDUUJJSA-N 2 2 389.475 0.107 20 0 GCADLP COCCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685330883 1187098783 /nfs/dbraw/zinc/09/87/83/1187098783.db2.gz IVWGVKDJYJOCIL-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP COCCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685330883 1187098786 /nfs/dbraw/zinc/09/87/86/1187098786.db2.gz IVWGVKDJYJOCIL-QGZVFWFLSA-N 2 2 380.533 0.546 20 0 GCADLP CCOCCC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685332343 1187101748 /nfs/dbraw/zinc/10/17/48/1187101748.db2.gz UTJVFFZJMYXUTB-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP CCOCCC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685332343 1187101750 /nfs/dbraw/zinc/10/17/50/1187101750.db2.gz UTJVFFZJMYXUTB-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685339096 1187103167 /nfs/dbraw/zinc/10/31/67/1187103167.db2.gz HBQBYHPAEACSJR-IEBWSBKVSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685339096 1187103170 /nfs/dbraw/zinc/10/31/70/1187103170.db2.gz HBQBYHPAEACSJR-IEBWSBKVSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685339096 1187103172 /nfs/dbraw/zinc/10/31/72/1187103172.db2.gz HBQBYHPAEACSJR-IEBWSBKVSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@@H](NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339096 1187103175 /nfs/dbraw/zinc/10/31/75/1187103175.db2.gz HBQBYHPAEACSJR-IEBWSBKVSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337029 1187104943 /nfs/dbraw/zinc/10/49/43/1187104943.db2.gz YFFOUZIVSIOOPT-WMZOPIPTSA-N 2 2 380.533 0.546 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337029 1187104947 /nfs/dbraw/zinc/10/49/47/1187104947.db2.gz YFFOUZIVSIOOPT-WMZOPIPTSA-N 2 2 380.533 0.546 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685347058 1187110488 /nfs/dbraw/zinc/11/04/88/1187110488.db2.gz AFPRZAJVAAOTQP-BZSNNMDCSA-N 2 2 378.517 0.297 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685347058 1187110491 /nfs/dbraw/zinc/11/04/91/1187110491.db2.gz AFPRZAJVAAOTQP-BZSNNMDCSA-N 2 2 378.517 0.297 20 0 GCADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685500489 1187136953 /nfs/dbraw/zinc/13/69/53/1187136953.db2.gz RPLSQVWOFANXPT-MSOLQXFVSA-N 2 2 378.517 0.443 20 0 GCADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685500489 1187136958 /nfs/dbraw/zinc/13/69/58/1187136958.db2.gz RPLSQVWOFANXPT-MSOLQXFVSA-N 2 2 378.517 0.443 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001023978989 1187210693 /nfs/dbraw/zinc/21/06/93/1187210693.db2.gz OAAWUZLNHMVFRU-OKDNKWQNSA-N 2 2 385.468 0.595 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)CC[N@H+]1C ZINC001023978989 1187210695 /nfs/dbraw/zinc/21/06/95/1187210695.db2.gz OAAWUZLNHMVFRU-OKDNKWQNSA-N 2 2 385.468 0.595 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650887214 1187217687 /nfs/dbraw/zinc/21/76/87/1187217687.db2.gz ITTRYJFLUTZNGW-FUHWJXTLSA-N 2 2 388.516 0.053 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650887214 1187217689 /nfs/dbraw/zinc/21/76/89/1187217689.db2.gz ITTRYJFLUTZNGW-FUHWJXTLSA-N 2 2 388.516 0.053 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]32)O1 ZINC000972855429 1187281864 /nfs/dbraw/zinc/28/18/64/1187281864.db2.gz UFPLPDOIRSWWMZ-QBPKDAKJSA-N 2 2 375.473 0.052 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]32)O1 ZINC000972855429 1187281867 /nfs/dbraw/zinc/28/18/67/1187281867.db2.gz UFPLPDOIRSWWMZ-QBPKDAKJSA-N 2 2 375.473 0.052 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000658401207 1187284004 /nfs/dbraw/zinc/28/40/04/1187284004.db2.gz OAXNXPHSRYTUOK-SFHVURJKSA-N 2 2 394.560 0.626 20 0 GCADLP C[C@H](CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000658424050 1187294385 /nfs/dbraw/zinc/29/43/85/1187294385.db2.gz YLTDMZIQGLQUPH-OAHLLOKOSA-N 2 2 389.500 0.469 20 0 GCADLP COCc1csc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000658496140 1187318296 /nfs/dbraw/zinc/31/82/96/1187318296.db2.gz YXGWLCRPZPZTHL-UHFFFAOYSA-N 2 2 396.557 0.995 20 0 GCADLP COCc1csc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000658496140 1187318300 /nfs/dbraw/zinc/31/83/00/1187318300.db2.gz YXGWLCRPZPZTHL-UHFFFAOYSA-N 2 2 396.557 0.995 20 0 GCADLP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000564994422 1187426230 /nfs/dbraw/zinc/42/62/30/1187426230.db2.gz SBDVNONUJXXMFZ-SJORKVTESA-N 3 2 379.549 0.201 20 0 GCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431642133 1187447189 /nfs/dbraw/zinc/44/71/89/1187447189.db2.gz ZRPAZRLMASSLCM-INIZCTEOSA-N 2 2 397.564 0.633 20 0 GCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431642133 1187447191 /nfs/dbraw/zinc/44/71/91/1187447191.db2.gz ZRPAZRLMASSLCM-INIZCTEOSA-N 2 2 397.564 0.633 20 0 GCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000612332682 1187463725 /nfs/dbraw/zinc/46/37/25/1187463725.db2.gz MDKCAGYXMCZOMX-UHFFFAOYSA-N 2 2 396.580 0.302 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612444681 1187492613 /nfs/dbraw/zinc/49/26/13/1187492613.db2.gz PSSJQRWHQUGGNC-QGZVFWFLSA-N 2 2 380.533 0.690 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612444681 1187492615 /nfs/dbraw/zinc/49/26/15/1187492615.db2.gz PSSJQRWHQUGGNC-QGZVFWFLSA-N 2 2 380.533 0.690 20 0 GCADLP COC1CC[NH+](CCNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000685776404 1187499990 /nfs/dbraw/zinc/49/99/90/1187499990.db2.gz GOXSPAFLNPFTJH-QGZVFWFLSA-N 2 2 379.505 0.710 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612480351 1187503507 /nfs/dbraw/zinc/50/35/07/1187503507.db2.gz IXLLNOBXUQVVDS-QGZVFWFLSA-N 2 2 398.548 0.029 20 0 GCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612488339 1187506968 /nfs/dbraw/zinc/50/69/68/1187506968.db2.gz ZKKQNFRKTHVICC-MSOLQXFVSA-N 2 2 380.533 0.546 20 0 GCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544540 1187522352 /nfs/dbraw/zinc/52/23/52/1187522352.db2.gz DSGIMACXZKABND-SJLPKXTDSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544540 1187522357 /nfs/dbraw/zinc/52/23/57/1187522357.db2.gz DSGIMACXZKABND-SJLPKXTDSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544540 1187522362 /nfs/dbraw/zinc/52/23/62/1187522362.db2.gz DSGIMACXZKABND-SJLPKXTDSA-N 3 2 379.549 0.214 20 0 GCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000612544540 1187522364 /nfs/dbraw/zinc/52/23/64/1187522364.db2.gz DSGIMACXZKABND-SJLPKXTDSA-N 3 2 379.549 0.214 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000658810659 1187533186 /nfs/dbraw/zinc/53/31/86/1187533186.db2.gz NEKXLOYIYZHUIQ-OALUTQOASA-N 2 2 392.544 0.787 20 0 GCADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000612723172 1187565584 /nfs/dbraw/zinc/56/55/84/1187565584.db2.gz MAVLXKLBIVYSMG-HXUWFJFHSA-N 2 2 399.539 0.225 20 0 GCADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000612723172 1187565587 /nfs/dbraw/zinc/56/55/87/1187565587.db2.gz MAVLXKLBIVYSMG-HXUWFJFHSA-N 2 2 399.539 0.225 20 0 GCADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000612723171 1187565678 /nfs/dbraw/zinc/56/56/78/1187565678.db2.gz MAVLXKLBIVYSMG-FQEVSTJZSA-N 2 2 399.539 0.225 20 0 GCADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000612723171 1187565681 /nfs/dbraw/zinc/56/56/81/1187565681.db2.gz MAVLXKLBIVYSMG-FQEVSTJZSA-N 2 2 399.539 0.225 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000570309782 1187568507 /nfs/dbraw/zinc/56/85/07/1187568507.db2.gz LZGOBMAJACBOHL-SFHVURJKSA-N 2 2 382.549 0.792 20 0 GCADLP CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000570309782 1187568510 /nfs/dbraw/zinc/56/85/10/1187568510.db2.gz LZGOBMAJACBOHL-SFHVURJKSA-N 2 2 382.549 0.792 20 0 GCADLP C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133058065 1187571281 /nfs/dbraw/zinc/57/12/81/1187571281.db2.gz YMZBSXPBLVJIPI-RDJZCZTQSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133058065 1187571289 /nfs/dbraw/zinc/57/12/89/1187571289.db2.gz YMZBSXPBLVJIPI-RDJZCZTQSA-N 2 2 376.505 0.352 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000413917676 1187587134 /nfs/dbraw/zinc/58/71/34/1187587134.db2.gz KISUKGHVLAWSDX-RTBURBONSA-N 2 2 388.512 0.538 20 0 GCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000413917676 1187587136 /nfs/dbraw/zinc/58/71/36/1187587136.db2.gz KISUKGHVLAWSDX-RTBURBONSA-N 2 2 388.512 0.538 20 0 GCADLP CCn1nccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000612823180 1187598065 /nfs/dbraw/zinc/59/80/65/1187598065.db2.gz APTVIQBEUCZDRW-QGZVFWFLSA-N 2 2 376.505 0.146 20 0 GCADLP CCn1nccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000612823180 1187598069 /nfs/dbraw/zinc/59/80/69/1187598069.db2.gz APTVIQBEUCZDRW-QGZVFWFLSA-N 2 2 376.505 0.146 20 0 GCADLP C[C@@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000133473621 1187605440 /nfs/dbraw/zinc/60/54/40/1187605440.db2.gz KKOCKMZJZIWNGZ-QUCCMNQESA-N 2 2 389.544 0.823 20 0 GCADLP C[C@@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133473621 1187605446 /nfs/dbraw/zinc/60/54/46/1187605446.db2.gz KKOCKMZJZIWNGZ-QUCCMNQESA-N 2 2 389.544 0.823 20 0 GCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612901555 1187616081 /nfs/dbraw/zinc/61/60/81/1187616081.db2.gz GXMIOHJTASYWMB-CVEARBPZSA-N 2 2 398.515 0.920 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](CC)[C@@H](C)C3)O2)C[C@H]1C ZINC000612951513 1187625227 /nfs/dbraw/zinc/62/52/27/1187625227.db2.gz FXYNCBZQSKRLOZ-FZDBZEDMSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](CC)[C@@H](C)C3)O2)C[C@H]1C ZINC000612951513 1187625230 /nfs/dbraw/zinc/62/52/30/1187625230.db2.gz FXYNCBZQSKRLOZ-FZDBZEDMSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](CC)[C@H](C)C3)O2)C[C@@H]1C ZINC000612951513 1187625233 /nfs/dbraw/zinc/62/52/33/1187625233.db2.gz FXYNCBZQSKRLOZ-FZDBZEDMSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](CC)[C@H](C)C3)O2)C[C@@H]1C ZINC000612951513 1187625239 /nfs/dbraw/zinc/62/52/39/1187625239.db2.gz FXYNCBZQSKRLOZ-FZDBZEDMSA-N 2 2 380.533 0.639 20 0 GCADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000685825896 1187630691 /nfs/dbraw/zinc/63/06/91/1187630691.db2.gz MSIRLTBKPTZMIL-APWZRJJASA-N 2 2 377.489 0.200 20 0 GCADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000685825896 1187630696 /nfs/dbraw/zinc/63/06/96/1187630696.db2.gz MSIRLTBKPTZMIL-APWZRJJASA-N 2 2 377.489 0.200 20 0 GCADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000685825896 1187630699 /nfs/dbraw/zinc/63/06/99/1187630699.db2.gz MSIRLTBKPTZMIL-APWZRJJASA-N 2 2 377.489 0.200 20 0 GCADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000685825896 1187630704 /nfs/dbraw/zinc/63/07/04/1187630704.db2.gz MSIRLTBKPTZMIL-APWZRJJASA-N 2 2 377.489 0.200 20 0 GCADLP C[NH+](C)CCOc1ccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000613261145 1187708220 /nfs/dbraw/zinc/70/82/20/1187708220.db2.gz LJLUDBJIULZFOZ-UHFFFAOYSA-N 2 2 390.528 0.603 20 0 GCADLP CC(=O)N1CCC([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000613273834 1187712226 /nfs/dbraw/zinc/71/22/26/1187712226.db2.gz DWIILJQYZQZLLV-UHFFFAOYSA-N 2 2 395.529 0.134 20 0 GCADLP C[NH+](C)CC1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000376301160 1187753405 /nfs/dbraw/zinc/75/34/05/1187753405.db2.gz GNVLDROGRJHVCB-QGZVFWFLSA-N 2 2 380.533 0.405 20 0 GCADLP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000332792650 1187775768 /nfs/dbraw/zinc/77/57/68/1187775768.db2.gz FAGZZWUMLMQESP-FPAYPSAMSA-N 2 2 394.560 0.932 20 0 GCADLP CC1(O)CCC([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000892593335 1187803167 /nfs/dbraw/zinc/80/31/67/1187803167.db2.gz BWALWTKKDCYAGF-UHFFFAOYSA-N 2 2 382.530 0.817 20 0 GCADLP CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1OC ZINC000892595581 1187804173 /nfs/dbraw/zinc/80/41/73/1187804173.db2.gz VXTWZIQSMAXHNY-LZLYRXPVSA-N 2 2 398.529 0.315 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892605985 1187820911 /nfs/dbraw/zinc/82/09/11/1187820911.db2.gz CLJXXCIQGJQZPX-QDMKHBRRSA-N 2 2 384.488 0.726 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000892611206 1187827086 /nfs/dbraw/zinc/82/70/86/1187827086.db2.gz LAGYXJLHHRQLPV-QRQLOZEOSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000892611206 1187827091 /nfs/dbraw/zinc/82/70/91/1187827091.db2.gz LAGYXJLHHRQLPV-QRQLOZEOSA-N 2 2 376.501 0.953 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000658978268 1187829183 /nfs/dbraw/zinc/82/91/83/1187829183.db2.gz PHGPPCZICXOSKC-MSOLQXFVSA-N 2 2 378.517 0.396 20 0 GCADLP O=C(CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000376495581 1187889864 /nfs/dbraw/zinc/88/98/64/1187889864.db2.gz PGGDDOVHOPGODV-MOPGFXCFSA-N 2 2 387.528 0.651 20 0 GCADLP CN(C(=O)C(=O)NCCC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588101922 1187922738 /nfs/dbraw/zinc/92/27/38/1187922738.db2.gz DWTKVAHFHNITAK-INIZCTEOSA-N 2 2 396.532 0.461 20 0 GCADLP CN(C(=O)C(=O)NCCC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588101922 1187922739 /nfs/dbraw/zinc/92/27/39/1187922739.db2.gz DWTKVAHFHNITAK-INIZCTEOSA-N 2 2 396.532 0.461 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345083 1187945340 /nfs/dbraw/zinc/94/53/40/1187945340.db2.gz YNZPOWLQCRQITN-RBUKOAKNSA-N 3 2 393.576 0.556 20 0 GCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345083 1187945341 /nfs/dbraw/zinc/94/53/41/1187945341.db2.gz YNZPOWLQCRQITN-RBUKOAKNSA-N 3 2 393.576 0.556 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344813 1187945930 /nfs/dbraw/zinc/94/59/30/1187945930.db2.gz LCUGUWWOFUFGAJ-MSOLQXFVSA-N 2 2 380.533 0.497 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344813 1187945932 /nfs/dbraw/zinc/94/59/32/1187945932.db2.gz LCUGUWWOFUFGAJ-MSOLQXFVSA-N 2 2 380.533 0.497 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000659344508 1187946157 /nfs/dbraw/zinc/94/61/57/1187946157.db2.gz ATSZYULPEVIZNO-BPQIPLTHSA-N 2 2 380.533 0.639 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000659344508 1187946159 /nfs/dbraw/zinc/94/61/59/1187946159.db2.gz ATSZYULPEVIZNO-BPQIPLTHSA-N 2 2 380.533 0.639 20 0 GCADLP CCO[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659344575 1187946184 /nfs/dbraw/zinc/94/61/84/1187946184.db2.gz GSTDOFZRTKNTGK-ROUUACIJSA-N 2 2 380.533 0.641 20 0 GCADLP CCO[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659344575 1187946186 /nfs/dbraw/zinc/94/61/86/1187946186.db2.gz GSTDOFZRTKNTGK-ROUUACIJSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344801 1187946594 /nfs/dbraw/zinc/94/65/94/1187946594.db2.gz KVYRAOOMFXRGFK-YTQUADARSA-N 2 2 394.560 0.623 20 0 GCADLP CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344801 1187946597 /nfs/dbraw/zinc/94/65/97/1187946597.db2.gz KVYRAOOMFXRGFK-YTQUADARSA-N 2 2 394.560 0.623 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C2CC2)O1 ZINC000659344536 1187946704 /nfs/dbraw/zinc/94/67/04/1187946704.db2.gz CLFBNNJZBRXOQT-ATZDWAIDSA-N 2 2 392.544 0.639 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C2CC2)O1 ZINC000659344536 1187946705 /nfs/dbraw/zinc/94/67/05/1187946705.db2.gz CLFBNNJZBRXOQT-ATZDWAIDSA-N 2 2 392.544 0.639 20 0 GCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344546 1187946835 /nfs/dbraw/zinc/94/68/35/1187946835.db2.gz DUCNPJWPSULIIG-QZTJIDSGSA-N 2 2 380.533 0.641 20 0 GCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659344546 1187946836 /nfs/dbraw/zinc/94/68/36/1187946836.db2.gz DUCNPJWPSULIIG-QZTJIDSGSA-N 2 2 380.533 0.641 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000659676068 1187994302 /nfs/dbraw/zinc/99/43/02/1187994302.db2.gz UOFMGJBMDRDTNG-KRWDZBQOSA-N 2 2 392.500 0.664 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000659676068 1187994304 /nfs/dbraw/zinc/99/43/04/1187994304.db2.gz UOFMGJBMDRDTNG-KRWDZBQOSA-N 2 2 392.500 0.664 20 0 GCADLP COC1(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000330037066 1187995024 /nfs/dbraw/zinc/99/50/24/1187995024.db2.gz DAUBZTWBVAPOJO-UHFFFAOYSA-N 2 2 380.533 0.642 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000659698413 1187999658 /nfs/dbraw/zinc/99/96/58/1187999658.db2.gz YYONVACJAHYZOD-MAZHCROVSA-N 2 2 382.892 0.552 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000659698413 1187999660 /nfs/dbraw/zinc/99/96/60/1187999660.db2.gz YYONVACJAHYZOD-MAZHCROVSA-N 2 2 382.892 0.552 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000659756346 1188020767 /nfs/dbraw/zinc/02/07/67/1188020767.db2.gz QVCDRZNVLLODJM-SZMVWBNQSA-N 3 2 381.565 0.506 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000659756346 1188020773 /nfs/dbraw/zinc/02/07/73/1188020773.db2.gz QVCDRZNVLLODJM-SZMVWBNQSA-N 3 2 381.565 0.506 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(NC(=O)c3cc(C)on3)CC2)CC1 ZINC000377464837 1188028147 /nfs/dbraw/zinc/02/81/47/1188028147.db2.gz OTRLYVHQIRSGRW-HNNXBMFYSA-N 2 2 377.489 0.730 20 0 GCADLP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000377466463 1188029553 /nfs/dbraw/zinc/02/95/53/1188029553.db2.gz ZFBMDYDQKFPCJZ-FGTMMUONSA-N 2 2 380.533 0.404 20 0 GCADLP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000377466463 1188029556 /nfs/dbraw/zinc/02/95/56/1188029556.db2.gz ZFBMDYDQKFPCJZ-FGTMMUONSA-N 2 2 380.533 0.404 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000377466465 1188029905 /nfs/dbraw/zinc/02/99/05/1188029905.db2.gz ZFBMDYDQKFPCJZ-KZNAEPCWSA-N 2 2 380.533 0.404 20 0 GCADLP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000377466465 1188029907 /nfs/dbraw/zinc/02/99/07/1188029907.db2.gz ZFBMDYDQKFPCJZ-KZNAEPCWSA-N 2 2 380.533 0.404 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415328620 1188039543 /nfs/dbraw/zinc/03/95/43/1188039543.db2.gz JKBHIHCSDYXEDN-GOSISDBHSA-N 2 2 387.528 0.878 20 0 GCADLP C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000415347059 1188055747 /nfs/dbraw/zinc/05/57/47/1188055747.db2.gz IMUVARPVHHSOML-SJLPKXTDSA-N 2 2 387.528 0.877 20 0 GCADLP C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000415347058 1188056121 /nfs/dbraw/zinc/05/61/21/1188056121.db2.gz IMUVARPVHHSOML-FUHWJXTLSA-N 2 2 387.528 0.877 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000415390629 1188069255 /nfs/dbraw/zinc/06/92/55/1188069255.db2.gz HSNOJJOPTSMDCF-KRWDZBQOSA-N 2 2 387.528 0.878 20 0 GCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000415390937 1188069504 /nfs/dbraw/zinc/06/95/04/1188069504.db2.gz VKMAZEUQEGMMBP-INIZCTEOSA-N 2 2 387.528 0.958 20 0 GCADLP CCCN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000415393223 1188070965 /nfs/dbraw/zinc/07/09/65/1188070965.db2.gz OSWQKKSODHIGAE-IBGZPJMESA-N 2 2 387.528 0.973 20 0 GCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415456811 1188085135 /nfs/dbraw/zinc/08/51/35/1188085135.db2.gz WYHDWTUJJDXOEK-FUHWJXTLSA-N 2 2 387.528 0.958 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021058 1188103535 /nfs/dbraw/zinc/10/35/35/1188103535.db2.gz CTVIKRDLCZKVHG-YTQUADARSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021058 1188103539 /nfs/dbraw/zinc/10/35/39/1188103539.db2.gz CTVIKRDLCZKVHG-YTQUADARSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021058 1188103544 /nfs/dbraw/zinc/10/35/44/1188103544.db2.gz CTVIKRDLCZKVHG-YTQUADARSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021058 1188103548 /nfs/dbraw/zinc/10/35/48/1188103548.db2.gz CTVIKRDLCZKVHG-YTQUADARSA-N 3 2 379.549 0.396 20 0 GCADLP Cn1cc([C@@]2(CNC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCCO2)cn1 ZINC000893021786 1188103940 /nfs/dbraw/zinc/10/39/40/1188103940.db2.gz HVHGUJMOYYFHHS-PXNSSMCTSA-N 2 2 390.532 0.894 20 0 GCADLP Cn1cc([C@@]2(CNC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCCO2)cn1 ZINC000893021786 1188103941 /nfs/dbraw/zinc/10/39/41/1188103941.db2.gz HVHGUJMOYYFHHS-PXNSSMCTSA-N 2 2 390.532 0.894 20 0 GCADLP Cn1cc([C@]2(CNC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCCO2)cn1 ZINC000893021788 1188104817 /nfs/dbraw/zinc/10/48/17/1188104817.db2.gz HVHGUJMOYYFHHS-YLJYHZDGSA-N 2 2 390.532 0.894 20 0 GCADLP Cn1cc([C@]2(CNC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCCO2)cn1 ZINC000893021788 1188104822 /nfs/dbraw/zinc/10/48/22/1188104822.db2.gz HVHGUJMOYYFHHS-YLJYHZDGSA-N 2 2 390.532 0.894 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000415562990 1188107233 /nfs/dbraw/zinc/10/72/33/1188107233.db2.gz APQBQVNLCYGKFB-NRFANRHFSA-N 2 2 387.528 0.878 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000415574215 1188109943 /nfs/dbraw/zinc/10/99/43/1188109943.db2.gz CZZYAOZJBXNHNL-SXLOBPIMSA-N 2 2 399.539 0.958 20 0 GCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)CC1 ZINC000415593243 1188115291 /nfs/dbraw/zinc/11/52/91/1188115291.db2.gz GKCIQGOVBNPHFI-UHFFFAOYSA-N 2 2 383.443 0.473 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415747379 1188156908 /nfs/dbraw/zinc/15/69/08/1188156908.db2.gz OPOKAYKTSYGXDB-MOPGFXCFSA-N 2 2 399.539 0.831 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415836834 1189378576 /nfs/dbraw/zinc/37/85/76/1189378576.db2.gz KFVQIMJGKCJSRZ-INIZCTEOSA-N 2 2 375.473 0.799 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415836836 1189378870 /nfs/dbraw/zinc/37/88/70/1189378870.db2.gz KFVQIMJGKCJSRZ-MRXNPFEDSA-N 2 2 375.473 0.799 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415847249 1189380115 /nfs/dbraw/zinc/38/01/15/1189380115.db2.gz KYAHBTRSPBMCEV-DZGCQCFKSA-N 2 2 375.473 0.608 20 0 GCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000415860764 1189384963 /nfs/dbraw/zinc/38/49/63/1189384963.db2.gz VJEUEEGQMZTSPD-GOSISDBHSA-N 2 2 396.495 0.845 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000415898934 1189400969 /nfs/dbraw/zinc/40/09/69/1189400969.db2.gz UEWKALJKKAXZPS-RBUKOAKNSA-N 2 2 399.539 0.831 20 0 GCADLP O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000416019726 1189414182 /nfs/dbraw/zinc/41/41/82/1189414182.db2.gz BTNYTGYXIQNVHR-UHFFFAOYSA-N 2 2 377.489 0.112 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416028173 1189414993 /nfs/dbraw/zinc/41/49/93/1189414993.db2.gz LPOLTCRZVCAVIT-QGZVFWFLSA-N 2 2 391.516 0.813 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416028173 1189414995 /nfs/dbraw/zinc/41/49/95/1189414995.db2.gz LPOLTCRZVCAVIT-QGZVFWFLSA-N 2 2 391.516 0.813 20 0 GCADLP COCC(=O)NC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000613688936 1189444526 /nfs/dbraw/zinc/44/45/26/1189444526.db2.gz ZDSZKMQAZVUAFB-UHFFFAOYSA-N 2 2 389.500 0.347 20 0 GCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107368824 1189457663 /nfs/dbraw/zinc/45/76/63/1189457663.db2.gz UWGLOCDISNDNOG-QZTJIDSGSA-N 2 2 380.533 0.642 20 0 GCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107368824 1189457667 /nfs/dbraw/zinc/45/76/67/1189457667.db2.gz UWGLOCDISNDNOG-QZTJIDSGSA-N 2 2 380.533 0.642 20 0 GCADLP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363809500 1189494705 /nfs/dbraw/zinc/49/47/05/1189494705.db2.gz BOKGVUUJMQMNAX-LJQANCHMSA-N 3 2 381.565 0.907 20 0 GCADLP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363809500 1189494708 /nfs/dbraw/zinc/49/47/08/1189494708.db2.gz BOKGVUUJMQMNAX-LJQANCHMSA-N 3 2 381.565 0.907 20 0 GCADLP COCc1ccccc1CNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378436169 1189506969 /nfs/dbraw/zinc/50/69/69/1189506969.db2.gz YRZKVQLARSDNPT-UHFFFAOYSA-N 2 2 391.512 0.608 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000511570514 1189556881 /nfs/dbraw/zinc/55/68/81/1189556881.db2.gz DTBSHPRNRJQYEK-BPQIPLTHSA-N 2 2 381.480 0.951 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000511570514 1189556886 /nfs/dbraw/zinc/55/68/86/1189556886.db2.gz DTBSHPRNRJQYEK-BPQIPLTHSA-N 2 2 381.480 0.951 20 0 GCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc2C1 ZINC000363911483 1189569493 /nfs/dbraw/zinc/56/94/93/1189569493.db2.gz RUJLADFUAJNNJY-GOSISDBHSA-N 2 2 385.512 0.855 20 0 GCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc2C1 ZINC000363911483 1189569499 /nfs/dbraw/zinc/56/94/99/1189569499.db2.gz RUJLADFUAJNNJY-GOSISDBHSA-N 2 2 385.512 0.855 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000108919331 1189595814 /nfs/dbraw/zinc/59/58/14/1189595814.db2.gz QGSJNRNQTVWYAE-MJGOQNOKSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)O1 ZINC000416940947 1189596226 /nfs/dbraw/zinc/59/62/26/1189596226.db2.gz JOVGYHHMSDDNRB-IXDOHACOSA-N 2 2 381.521 0.092 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)O1 ZINC000416940947 1189596230 /nfs/dbraw/zinc/59/62/30/1189596230.db2.gz JOVGYHHMSDDNRB-IXDOHACOSA-N 2 2 381.521 0.092 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000511592786 1189600947 /nfs/dbraw/zinc/60/09/47/1189600947.db2.gz HPUYZTHUUWRMRC-JKSUJKDBSA-N 2 2 395.529 0.119 20 0 GCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000511592786 1189600949 /nfs/dbraw/zinc/60/09/49/1189600949.db2.gz HPUYZTHUUWRMRC-JKSUJKDBSA-N 2 2 395.529 0.119 20 0 GCADLP C[C@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000511604707 1189621224 /nfs/dbraw/zinc/62/12/24/1189621224.db2.gz QKUVLCLDFAPNRX-QGZVFWFLSA-N 2 2 395.592 0.565 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000417297455 1189642794 /nfs/dbraw/zinc/64/27/94/1189642794.db2.gz OBVPZKXHDMKIOE-GOSISDBHSA-N 2 2 378.473 0.267 20 0 GCADLP CCCN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[NH2+]C1 ZINC000417371201 1189654641 /nfs/dbraw/zinc/65/46/41/1189654641.db2.gz VDHKMBIUMXOOKZ-QGZVFWFLSA-N 2 2 388.516 0.904 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417615112 1189691116 /nfs/dbraw/zinc/69/11/16/1189691116.db2.gz CAKFPSVXHIPMSA-HUUCEWRRSA-N 2 2 377.493 0.319 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417615112 1189691119 /nfs/dbraw/zinc/69/11/19/1189691119.db2.gz CAKFPSVXHIPMSA-HUUCEWRRSA-N 2 2 377.493 0.319 20 0 GCADLP CCC[NH2+]CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417616177 1189692233 /nfs/dbraw/zinc/69/22/33/1189692233.db2.gz DGZIKKPWTHKFNG-INIZCTEOSA-N 2 2 391.520 0.581 20 0 GCADLP CCC[NH2+]CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417616177 1189692238 /nfs/dbraw/zinc/69/22/38/1189692238.db2.gz DGZIKKPWTHKFNG-INIZCTEOSA-N 2 2 391.520 0.581 20 0 GCADLP C[NH2+]CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417624408 1189692911 /nfs/dbraw/zinc/69/29/11/1189692911.db2.gz OJLXCYKGONDEGI-OAHLLOKOSA-N 2 2 377.493 0.191 20 0 GCADLP C[NH2+]CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417624408 1189692914 /nfs/dbraw/zinc/69/29/14/1189692914.db2.gz OJLXCYKGONDEGI-OAHLLOKOSA-N 2 2 377.493 0.191 20 0 GCADLP C[NH2+]CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417624407 1189693053 /nfs/dbraw/zinc/69/30/53/1189693053.db2.gz OJLXCYKGONDEGI-HNNXBMFYSA-N 2 2 377.493 0.191 20 0 GCADLP C[NH2+]CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417624407 1189693056 /nfs/dbraw/zinc/69/30/56/1189693056.db2.gz OJLXCYKGONDEGI-HNNXBMFYSA-N 2 2 377.493 0.191 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)c3cc(F)cc(F)c3)C2)CC1 ZINC000364227079 1189716294 /nfs/dbraw/zinc/71/62/94/1189716294.db2.gz BEWOJAOVHGJGAG-MRXNPFEDSA-N 2 2 380.439 0.979 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)c3cc(F)cc(F)c3)C2)CC1 ZINC000364227079 1189716295 /nfs/dbraw/zinc/71/62/95/1189716295.db2.gz BEWOJAOVHGJGAG-MRXNPFEDSA-N 2 2 380.439 0.979 20 0 GCADLP Cc1cc(Cn2nnc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2C)on1 ZINC000644795871 1189758760 /nfs/dbraw/zinc/75/87/60/1189758760.db2.gz TUPXHMQRHLHJIV-HNNXBMFYSA-N 2 2 387.488 0.830 20 0 GCADLP Cc1cc(Cn2nnc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2C)on1 ZINC000644795871 1189758761 /nfs/dbraw/zinc/75/87/61/1189758761.db2.gz TUPXHMQRHLHJIV-HNNXBMFYSA-N 2 2 387.488 0.830 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000364372563 1189772251 /nfs/dbraw/zinc/77/22/51/1189772251.db2.gz KKSQXTAXWOVNLX-CXAGYDPISA-N 2 2 393.513 0.001 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000364372563 1189772257 /nfs/dbraw/zinc/77/22/57/1189772257.db2.gz KKSQXTAXWOVNLX-CXAGYDPISA-N 2 2 393.513 0.001 20 0 GCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660446783 1189820390 /nfs/dbraw/zinc/82/03/90/1189820390.db2.gz JUZOGJSFPCXKKJ-IEBWSBKVSA-N 2 2 398.573 0.747 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000431997839 1189832088 /nfs/dbraw/zinc/83/20/88/1189832088.db2.gz JMAJBDQOKAKOPT-UHFFFAOYSA-N 2 2 375.473 0.623 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC000974541935 1189839964 /nfs/dbraw/zinc/83/99/64/1189839964.db2.gz FKQJUHJKMRTMMR-YFHUEUNASA-N 2 2 382.468 0.788 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660487570 1189854666 /nfs/dbraw/zinc/85/46/66/1189854666.db2.gz QBLCUZGOLBODSE-GOSISDBHSA-N 2 2 388.516 0.450 20 0 GCADLP NC(=O)C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCCC1 ZINC000047274239 1189874201 /nfs/dbraw/zinc/87/42/01/1189874201.db2.gz IDDRUTUARQRGDA-UHFFFAOYSA-N 2 2 380.533 0.868 20 0 GCADLP NC(=O)C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCCC1 ZINC000047274239 1189874206 /nfs/dbraw/zinc/87/42/06/1189874206.db2.gz IDDRUTUARQRGDA-UHFFFAOYSA-N 2 2 380.533 0.868 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3nc(C(N)=O)cs3)CC2)CC1 ZINC000660574972 1189909144 /nfs/dbraw/zinc/90/91/44/1189909144.db2.gz RHNYVLPLZVPNLZ-UHFFFAOYSA-N 2 2 380.518 0.600 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511859107 1189917098 /nfs/dbraw/zinc/91/70/98/1189917098.db2.gz LKTLZQZIDSVDAC-UHFFFAOYSA-N 2 2 375.517 0.972 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511859107 1189917101 /nfs/dbraw/zinc/91/71/01/1189917101.db2.gz LKTLZQZIDSVDAC-UHFFFAOYSA-N 2 2 375.517 0.972 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2)CC1 ZINC000660713380 1189939484 /nfs/dbraw/zinc/93/94/84/1189939484.db2.gz RQCDUJDYDJEZSK-AEFFLSMTSA-N 2 2 392.548 0.744 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2)CC1 ZINC000660713380 1189939488 /nfs/dbraw/zinc/93/94/88/1189939488.db2.gz RQCDUJDYDJEZSK-AEFFLSMTSA-N 2 2 392.548 0.744 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660853172 1189956053 /nfs/dbraw/zinc/95/60/53/1189956053.db2.gz RJXKNHLJOBQRGM-IRXDYDNUSA-N 2 2 381.521 0.045 20 0 GCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660853172 1189956055 /nfs/dbraw/zinc/95/60/55/1189956055.db2.gz RJXKNHLJOBQRGM-IRXDYDNUSA-N 2 2 381.521 0.045 20 0 GCADLP C[NH+](C)CCOc1cc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccn1 ZINC000660965732 1189973688 /nfs/dbraw/zinc/97/36/88/1189973688.db2.gz GFHLMJOAWCINGH-QGZVFWFLSA-N 2 2 377.489 0.638 20 0 GCADLP Oc1ccc2c(c1)C[N@@H+](CCN1CCOCC1)CCN2CC[NH+]1CCOCC1 ZINC000661020655 1189983412 /nfs/dbraw/zinc/98/34/12/1189983412.db2.gz KROXCPDTPWYZCG-UHFFFAOYSA-N 2 2 390.528 0.679 20 0 GCADLP Oc1ccc2c(c1)C[N@H+](CCN1CCOCC1)CCN2CC[NH+]1CCOCC1 ZINC000661020655 1189983415 /nfs/dbraw/zinc/98/34/15/1189983415.db2.gz KROXCPDTPWYZCG-UHFFFAOYSA-N 2 2 390.528 0.679 20 0 GCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662732214 1190012125 /nfs/dbraw/zinc/01/21/25/1190012125.db2.gz ORRSJPQGICALJH-JZXOWHBKSA-N 2 2 376.505 0.966 20 0 GCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662846536 1190052178 /nfs/dbraw/zinc/05/21/78/1190052178.db2.gz RBLVIEQRTWMDEV-MOPGFXCFSA-N 2 2 392.544 0.405 20 0 GCADLP O=C(CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)NCC[NH+]1CCCCCC1 ZINC000432224194 1190054773 /nfs/dbraw/zinc/05/47/73/1190054773.db2.gz BHQZBNZCXRORSO-QGZVFWFLSA-N 2 2 381.521 0.141 20 0 GCADLP O=C(CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)NCC[NH+]1CCCCCC1 ZINC000432224194 1190054779 /nfs/dbraw/zinc/05/47/79/1190054779.db2.gz BHQZBNZCXRORSO-QGZVFWFLSA-N 2 2 381.521 0.141 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)CO1 ZINC000663915685 1193725773 /nfs/dbraw/zinc/72/57/73/1193725773.db2.gz GWXHHYCMVQBNIW-BRWVUGGUSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)CO1 ZINC000663915685 1193725775 /nfs/dbraw/zinc/72/57/75/1193725775.db2.gz GWXHHYCMVQBNIW-BRWVUGGUSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)CO1 ZINC000663915685 1193725779 /nfs/dbraw/zinc/72/57/79/1193725779.db2.gz GWXHHYCMVQBNIW-BRWVUGGUSA-N 2 2 383.537 0.338 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)CO1 ZINC000663915685 1193725782 /nfs/dbraw/zinc/72/57/82/1193725782.db2.gz GWXHHYCMVQBNIW-BRWVUGGUSA-N 2 2 383.537 0.338 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)CC2 ZINC000419237855 1193752474 /nfs/dbraw/zinc/75/24/74/1193752474.db2.gz PBHYFCUHCPTYGE-INIZCTEOSA-N 2 2 390.484 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)CC2 ZINC000419237855 1193752478 /nfs/dbraw/zinc/75/24/78/1193752478.db2.gz PBHYFCUHCPTYGE-INIZCTEOSA-N 2 2 390.484 0.032 20 0 GCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)CC2 ZINC000419247900 1193762403 /nfs/dbraw/zinc/76/24/03/1193762403.db2.gz XHGVKHSYNWNZST-MRXNPFEDSA-N 2 2 390.484 0.046 20 0 GCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)CC2 ZINC000419247900 1193762406 /nfs/dbraw/zinc/76/24/06/1193762406.db2.gz XHGVKHSYNWNZST-MRXNPFEDSA-N 2 2 390.484 0.046 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419247963 1193764702 /nfs/dbraw/zinc/76/47/02/1193764702.db2.gz XNQALBGZUDPBPN-VNHYZAJKSA-N 2 2 394.541 0.840 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419247963 1193764706 /nfs/dbraw/zinc/76/47/06/1193764706.db2.gz XNQALBGZUDPBPN-VNHYZAJKSA-N 2 2 394.541 0.840 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)CC1 ZINC000419293334 1193789939 /nfs/dbraw/zinc/78/99/39/1193789939.db2.gz ZIHVPFOWMGOPBS-LJQANCHMSA-N 3 2 393.576 0.685 20 0 GCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000263241302 1193808285 /nfs/dbraw/zinc/80/82/85/1193808285.db2.gz LFTVCMKVHWCLMQ-PXNSSMCTSA-N 2 2 390.528 0.835 20 0 GCADLP C[NH+](C)[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C[C@@H]1O ZINC000664086777 1193845313 /nfs/dbraw/zinc/84/53/13/1193845313.db2.gz XTWHBAADOILQCR-QYZOEREBSA-N 2 2 376.501 0.246 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386823 1193895730 /nfs/dbraw/zinc/89/57/30/1193895730.db2.gz IYLUENHNFZWDCO-HUUCEWRRSA-N 2 2 382.892 0.681 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386823 1193895738 /nfs/dbraw/zinc/89/57/38/1193895738.db2.gz IYLUENHNFZWDCO-HUUCEWRRSA-N 2 2 382.892 0.681 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000419388976 1193900461 /nfs/dbraw/zinc/90/04/61/1193900461.db2.gz KUYIPRSWESLTEI-XOKHGSTOSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000419388976 1193900464 /nfs/dbraw/zinc/90/04/64/1193900464.db2.gz KUYIPRSWESLTEI-XOKHGSTOSA-N 2 2 394.903 0.648 20 0 GCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1(F)F ZINC000894211792 1193917543 /nfs/dbraw/zinc/91/75/43/1193917543.db2.gz UBXUEWSMEIBJMQ-CJNGLKHVSA-N 2 2 382.411 0.764 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419394414 1193920637 /nfs/dbraw/zinc/92/06/37/1193920637.db2.gz SCWAYCOMKRNZLF-KCXAZCMYSA-N 2 2 382.892 0.681 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419394414 1193920641 /nfs/dbraw/zinc/92/06/41/1193920641.db2.gz SCWAYCOMKRNZLF-KCXAZCMYSA-N 2 2 382.892 0.681 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419394337 1193920736 /nfs/dbraw/zinc/92/07/36/1193920736.db2.gz RXZUCSHUYMYZLZ-JKSUJKDBSA-N 2 2 382.892 0.554 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419394337 1193920740 /nfs/dbraw/zinc/92/07/40/1193920740.db2.gz RXZUCSHUYMYZLZ-JKSUJKDBSA-N 2 2 382.892 0.554 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1c1ccccc1 ZINC000261621731 1193921781 /nfs/dbraw/zinc/92/17/81/1193921781.db2.gz DAQYIQNQIJEXRD-GBESFXJTSA-N 2 2 386.496 0.120 20 0 GCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000261693708 1193923549 /nfs/dbraw/zinc/92/35/49/1193923549.db2.gz IRIAOACFBAEQOH-KRWDZBQOSA-N 2 2 383.500 0.500 20 0 GCADLP [NH3+][C@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000261916889 1193931430 /nfs/dbraw/zinc/93/14/30/1193931430.db2.gz YFRAGYVCYHDNLF-IBGZPJMESA-N 2 2 377.485 0.768 20 0 GCADLP COc1cccc([C@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)[NH+](C)C)c1 ZINC000262318332 1193944990 /nfs/dbraw/zinc/94/49/90/1193944990.db2.gz CNFZTPGKJZPPEV-INIZCTEOSA-N 2 2 383.514 0.581 20 0 GCADLP C[N@H+](CCC[NH3+])CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000647849588 1193957232 /nfs/dbraw/zinc/95/72/32/1193957232.db2.gz YXARDNAXRUQPPH-UHFFFAOYSA-N 2 2 382.530 0.758 20 0 GCADLP C[N@@H+](CCC[NH3+])CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000647849588 1193957233 /nfs/dbraw/zinc/95/72/33/1193957233.db2.gz YXARDNAXRUQPPH-UHFFFAOYSA-N 2 2 382.530 0.758 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000263109798 1193962027 /nfs/dbraw/zinc/96/20/27/1193962027.db2.gz DLKARQIXASQUJL-KXBFYZLASA-N 2 2 376.501 1.000 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419405318 1194021658 /nfs/dbraw/zinc/02/16/58/1194021658.db2.gz UXJLGEGJSLNJPN-NUJGCVRESA-N 2 2 390.553 0.929 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419405318 1194021661 /nfs/dbraw/zinc/02/16/61/1194021661.db2.gz UXJLGEGJSLNJPN-NUJGCVRESA-N 2 2 390.553 0.929 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421848 1194023223 /nfs/dbraw/zinc/02/32/23/1194023223.db2.gz WILCBQVMUMCOTJ-NEWSRXKRSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421848 1194023230 /nfs/dbraw/zinc/02/32/30/1194023230.db2.gz WILCBQVMUMCOTJ-NEWSRXKRSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421847 1194023786 /nfs/dbraw/zinc/02/37/86/1194023786.db2.gz WILCBQVMUMCOTJ-BHIYHBOVSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421847 1194023790 /nfs/dbraw/zinc/02/37/90/1194023790.db2.gz WILCBQVMUMCOTJ-BHIYHBOVSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000419425444 1194026893 /nfs/dbraw/zinc/02/68/93/1194026893.db2.gz VRZGKCXWSCKGJQ-HKUYNNGSSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000419425444 1194026898 /nfs/dbraw/zinc/02/68/98/1194026898.db2.gz VRZGKCXWSCKGJQ-HKUYNNGSSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000419425444 1194026901 /nfs/dbraw/zinc/02/69/01/1194026901.db2.gz VRZGKCXWSCKGJQ-HKUYNNGSSA-N 2 2 387.528 0.302 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000419425444 1194026906 /nfs/dbraw/zinc/02/69/06/1194026906.db2.gz VRZGKCXWSCKGJQ-HKUYNNGSSA-N 2 2 387.528 0.302 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419414440 1194031763 /nfs/dbraw/zinc/03/17/63/1194031763.db2.gz MCLAWHCKNPKYCW-NZSAHSFTSA-N 2 2 388.512 0.603 20 0 GCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419414440 1194031767 /nfs/dbraw/zinc/03/17/67/1194031767.db2.gz MCLAWHCKNPKYCW-NZSAHSFTSA-N 2 2 388.512 0.603 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419455515 1194033335 /nfs/dbraw/zinc/03/33/35/1194033335.db2.gz XDQPVADPTOISLA-QRVBRYPASA-N 2 2 399.539 0.666 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419450750 1194037275 /nfs/dbraw/zinc/03/72/75/1194037275.db2.gz MCPBKZWXWFOMLB-FGTMMUONSA-N 2 2 387.528 0.522 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419500632 1194046025 /nfs/dbraw/zinc/04/60/25/1194046025.db2.gz BWTYLQWKASHOBX-OAHLLOKOSA-N 2 2 379.480 0.036 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419510350 1194050288 /nfs/dbraw/zinc/05/02/88/1194050288.db2.gz UDHDNTPPFOFWEM-AWEZNQCLSA-N 2 2 383.443 0.024 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000419638319 1194075042 /nfs/dbraw/zinc/07/50/42/1194075042.db2.gz GDVZKOZUGGFVKU-ZWKOTPCHSA-N 2 2 381.480 0.831 20 0 GCADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000419676219 1194079855 /nfs/dbraw/zinc/07/98/55/1194079855.db2.gz BIKSVWYBKVAMQK-WBAXXEDZSA-N 2 2 385.468 0.658 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419875548 1194129678 /nfs/dbraw/zinc/12/96/78/1194129678.db2.gz HFLWHXTUDYRFDN-CGTJXYLNSA-N 3 2 379.549 0.260 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419875548 1194129681 /nfs/dbraw/zinc/12/96/81/1194129681.db2.gz HFLWHXTUDYRFDN-CGTJXYLNSA-N 3 2 379.549 0.260 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)c1 ZINC000419879525 1194131459 /nfs/dbraw/zinc/13/14/59/1194131459.db2.gz YUAARYAJZXTHPN-UHFFFAOYSA-N 2 2 387.528 0.051 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419896984 1194135629 /nfs/dbraw/zinc/13/56/29/1194135629.db2.gz VEJHSLSZXOOMQJ-QZTJIDSGSA-N 3 2 381.565 0.508 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419896984 1194135632 /nfs/dbraw/zinc/13/56/32/1194135632.db2.gz VEJHSLSZXOOMQJ-QZTJIDSGSA-N 3 2 381.565 0.508 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000419985729 1194152929 /nfs/dbraw/zinc/15/29/29/1194152929.db2.gz XABUJAYIIKOZGZ-HZPDHXFCSA-N 2 2 376.501 0.872 20 0 GCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000420022015 1194157538 /nfs/dbraw/zinc/15/75/38/1194157538.db2.gz VHEXHMRLGIPQFJ-FQEVSTJZSA-N 2 2 391.516 0.329 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420022162 1194157606 /nfs/dbraw/zinc/15/76/06/1194157606.db2.gz VEVWZUIQMXOTFA-IRXDYDNUSA-N 2 2 395.548 0.023 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420022162 1194157609 /nfs/dbraw/zinc/15/76/09/1194157609.db2.gz VEVWZUIQMXOTFA-IRXDYDNUSA-N 2 2 395.548 0.023 20 0 GCADLP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420024088 1194158360 /nfs/dbraw/zinc/15/83/60/1194158360.db2.gz AEIGIJWNTMSHTI-IPMKNSEASA-N 3 2 393.576 0.636 20 0 GCADLP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420024088 1194158362 /nfs/dbraw/zinc/15/83/62/1194158362.db2.gz AEIGIJWNTMSHTI-IPMKNSEASA-N 3 2 393.576 0.636 20 0 GCADLP Cc1nc(N2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)CC2)cc[nH+]1 ZINC000420033339 1194160706 /nfs/dbraw/zinc/16/07/06/1194160706.db2.gz ATSFWZUPSPPONF-UHFFFAOYSA-N 2 2 388.516 0.862 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000420015275 1194162005 /nfs/dbraw/zinc/16/20/05/1194162005.db2.gz LRUHTNOYCUGMIF-CRAIPNDOSA-N 2 2 376.501 1.000 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420046173 1194168100 /nfs/dbraw/zinc/16/81/00/1194168100.db2.gz VKOZOAVZNJYNDX-WMZOPIPTSA-N 2 2 388.512 0.868 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420046170 1194168195 /nfs/dbraw/zinc/16/81/95/1194168195.db2.gz VKOZOAVZNJYNDX-FUHWJXTLSA-N 2 2 388.512 0.868 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000420069155 1194171666 /nfs/dbraw/zinc/17/16/66/1194171666.db2.gz BFWVJSGJPSJVPL-IBGZPJMESA-N 2 2 384.480 0.746 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000420134284 1194184217 /nfs/dbraw/zinc/18/42/17/1194184217.db2.gz BKCRBZJJCWDIBY-INIZCTEOSA-N 2 2 383.537 0.023 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000420134284 1194184219 /nfs/dbraw/zinc/18/42/19/1194184219.db2.gz BKCRBZJJCWDIBY-INIZCTEOSA-N 2 2 383.537 0.023 20 0 GCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)c1 ZINC000420157137 1194190781 /nfs/dbraw/zinc/19/07/81/1194190781.db2.gz WSXVMGRUAXVKAW-INIZCTEOSA-N 2 2 386.496 0.936 20 0 GCADLP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000420185064 1194198161 /nfs/dbraw/zinc/19/81/61/1194198161.db2.gz JGOCJBIPOVKIAK-GOSISDBHSA-N 2 2 392.475 0.355 20 0 GCADLP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000420185064 1194198165 /nfs/dbraw/zinc/19/81/65/1194198165.db2.gz JGOCJBIPOVKIAK-GOSISDBHSA-N 2 2 392.475 0.355 20 0 GCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)cn1 ZINC000420169983 1194200095 /nfs/dbraw/zinc/20/00/95/1194200095.db2.gz RTZWITSPBWRHTN-QGZVFWFLSA-N 2 2 390.532 0.349 20 0 GCADLP Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)cn1 ZINC000420169983 1194200099 /nfs/dbraw/zinc/20/00/99/1194200099.db2.gz RTZWITSPBWRHTN-QGZVFWFLSA-N 2 2 390.532 0.349 20 0 GCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@H]1C ZINC000501602653 1194202951 /nfs/dbraw/zinc/20/29/51/1194202951.db2.gz VQTGGYXBNQBQFY-SJLPKXTDSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@H]1C ZINC000501602653 1194202956 /nfs/dbraw/zinc/20/29/56/1194202956.db2.gz VQTGGYXBNQBQFY-SJLPKXTDSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1C ZINC000501602653 1194202960 /nfs/dbraw/zinc/20/29/60/1194202960.db2.gz VQTGGYXBNQBQFY-SJLPKXTDSA-N 2 2 380.533 0.546 20 0 GCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1C ZINC000501602653 1194202963 /nfs/dbraw/zinc/20/29/63/1194202963.db2.gz VQTGGYXBNQBQFY-SJLPKXTDSA-N 2 2 380.533 0.546 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501618311 1194214583 /nfs/dbraw/zinc/21/45/83/1194214583.db2.gz ZVBGQWSPQJDZGX-SFHVURJKSA-N 2 2 380.533 0.548 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501618311 1194214586 /nfs/dbraw/zinc/21/45/86/1194214586.db2.gz ZVBGQWSPQJDZGX-SFHVURJKSA-N 2 2 380.533 0.548 20 0 GCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000420353251 1194223655 /nfs/dbraw/zinc/22/36/55/1194223655.db2.gz BLEXXXKBLMFFQS-PKOBYXMFSA-N 2 2 397.541 0.864 20 0 GCADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000420353251 1194223659 /nfs/dbraw/zinc/22/36/59/1194223659.db2.gz BLEXXXKBLMFFQS-PKOBYXMFSA-N 2 2 397.541 0.864 20 0 GCADLP NS(=O)(=O)c1ccc(CCNC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420357986 1194224160 /nfs/dbraw/zinc/22/41/60/1194224160.db2.gz IMHVTVREYZNYPD-QGZVFWFLSA-N 2 2 382.530 0.490 20 0 GCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420369558 1194224409 /nfs/dbraw/zinc/22/44/09/1194224409.db2.gz BTESTQXOUALLJU-DOTOQJQBSA-N 2 2 393.488 0.754 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373867 1194225462 /nfs/dbraw/zinc/22/54/62/1194225462.db2.gz GYVLJCMXWBSWJC-OALUTQOASA-N 3 2 385.516 0.793 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373867 1194225466 /nfs/dbraw/zinc/22/54/66/1194225466.db2.gz GYVLJCMXWBSWJC-OALUTQOASA-N 3 2 385.516 0.793 20 0 GCADLP C[C@@H](C(=O)N(C)C)S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420472566 1194230406 /nfs/dbraw/zinc/23/04/06/1194230406.db2.gz SOSHIJUHQVJPAF-HNNXBMFYSA-N 2 2 382.530 0.376 20 0 GCADLP C[NH+](C)C1CCC(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000420811878 1194265394 /nfs/dbraw/zinc/26/53/94/1194265394.db2.gz FTXPTYKUKDFKDQ-UHFFFAOYSA-N 2 2 375.521 0.771 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000421196585 1194307234 /nfs/dbraw/zinc/30/72/34/1194307234.db2.gz JHBYYQVLFFCDSW-UHFFFAOYSA-N 2 2 398.548 0.029 20 0 GCADLP CN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502533799 1194330550 /nfs/dbraw/zinc/33/05/50/1194330550.db2.gz YTAGSXZLEUGKSY-OWSLCNJRSA-N 2 2 380.533 0.815 20 0 GCADLP CN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502533799 1194330552 /nfs/dbraw/zinc/33/05/52/1194330552.db2.gz YTAGSXZLEUGKSY-OWSLCNJRSA-N 2 2 380.533 0.815 20 0 GCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421405330 1194336316 /nfs/dbraw/zinc/33/63/16/1194336316.db2.gz ICHLXYFPCBWLSE-IBGZPJMESA-N 2 2 388.512 0.688 20 0 GCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421405330 1194336320 /nfs/dbraw/zinc/33/63/20/1194336320.db2.gz ICHLXYFPCBWLSE-IBGZPJMESA-N 2 2 388.512 0.688 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCNS(=O)(=O)CC)CC2)CC1 ZINC000422154432 1194400394 /nfs/dbraw/zinc/40/03/94/1194400394.db2.gz UGZPCTNHOFGQPV-UHFFFAOYSA-N 2 2 389.566 0.127 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCNS(=O)(=O)CC)CC2)CC1 ZINC000422154432 1194400397 /nfs/dbraw/zinc/40/03/97/1194400397.db2.gz UGZPCTNHOFGQPV-UHFFFAOYSA-N 2 2 389.566 0.127 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983085244 1194405335 /nfs/dbraw/zinc/40/53/35/1194405335.db2.gz HHXZCUCGJRSGGZ-JOCBIADPSA-N 2 2 391.516 0.283 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983085244 1194405340 /nfs/dbraw/zinc/40/53/40/1194405340.db2.gz HHXZCUCGJRSGGZ-JOCBIADPSA-N 2 2 391.516 0.283 20 0 GCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000647926970 1194555893 /nfs/dbraw/zinc/55/58/93/1194555893.db2.gz ULYLDCPOQJYMHA-UHFFFAOYSA-N 2 2 398.504 0.472 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000273413426 1194562467 /nfs/dbraw/zinc/56/24/67/1194562467.db2.gz NCJIUIITLMNIBQ-HBFSDRIKSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000273413426 1194562472 /nfs/dbraw/zinc/56/24/72/1194562472.db2.gz NCJIUIITLMNIBQ-HBFSDRIKSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000273413426 1194562473 /nfs/dbraw/zinc/56/24/73/1194562473.db2.gz NCJIUIITLMNIBQ-HBFSDRIKSA-N 2 2 390.528 0.984 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000273413426 1194562478 /nfs/dbraw/zinc/56/24/78/1194562478.db2.gz NCJIUIITLMNIBQ-HBFSDRIKSA-N 2 2 390.528 0.984 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000422306299 1194604542 /nfs/dbraw/zinc/60/45/42/1194604542.db2.gz YZHAOVGSPZMEOK-HKUYNNGSSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000422306299 1194604543 /nfs/dbraw/zinc/60/45/43/1194604543.db2.gz YZHAOVGSPZMEOK-HKUYNNGSSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000422306299 1194604545 /nfs/dbraw/zinc/60/45/45/1194604545.db2.gz YZHAOVGSPZMEOK-HKUYNNGSSA-N 2 2 388.512 0.556 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000422306299 1194604548 /nfs/dbraw/zinc/60/45/48/1194604548.db2.gz YZHAOVGSPZMEOK-HKUYNNGSSA-N 2 2 388.512 0.556 20 0 GCADLP CC(C)(CC[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000422597833 1194676911 /nfs/dbraw/zinc/67/69/11/1194676911.db2.gz LXPKVNLMXAKBCE-HNNXBMFYSA-N 2 2 391.520 0.709 20 0 GCADLP CC(C)(CC[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000422597833 1194676913 /nfs/dbraw/zinc/67/69/13/1194676913.db2.gz LXPKVNLMXAKBCE-HNNXBMFYSA-N 2 2 391.520 0.709 20 0 GCADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1c[nH+]ccc1N ZINC000422712457 1194691464 /nfs/dbraw/zinc/69/14/64/1194691464.db2.gz OFVJGSPSRFRVGQ-OAHLLOKOSA-N 2 2 390.513 0.692 20 0 GCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422844386 1194704248 /nfs/dbraw/zinc/70/42/48/1194704248.db2.gz LPKAFRJODIFSSS-MAUKXSAKSA-N 2 2 375.473 0.004 20 0 GCADLP O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000503653481 1194705432 /nfs/dbraw/zinc/70/54/32/1194705432.db2.gz FEUAIHLAKRJYIU-UHFFFAOYSA-N 2 2 399.495 0.734 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)nc(C(C)C)[nH+]1 ZINC000423038369 1194720840 /nfs/dbraw/zinc/72/08/40/1194720840.db2.gz YNVOYBUKFKNMNW-UHFFFAOYSA-N 2 2 388.516 0.754 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423128168 1194729156 /nfs/dbraw/zinc/72/91/56/1194729156.db2.gz KLIMGLWXVBVWHZ-RYQLBKOJSA-N 3 2 379.549 0.057 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423128168 1194729159 /nfs/dbraw/zinc/72/91/59/1194729159.db2.gz KLIMGLWXVBVWHZ-RYQLBKOJSA-N 3 2 379.549 0.057 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000423316884 1194747124 /nfs/dbraw/zinc/74/71/24/1194747124.db2.gz BJRANIXOCBOBAN-JZXOWHBKSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000423316884 1194747126 /nfs/dbraw/zinc/74/71/26/1194747126.db2.gz BJRANIXOCBOBAN-JZXOWHBKSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000423332008 1194749653 /nfs/dbraw/zinc/74/96/53/1194749653.db2.gz QSCIETQKLVPPIM-XDNAFOTISA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000423332008 1194749656 /nfs/dbraw/zinc/74/96/56/1194749656.db2.gz QSCIETQKLVPPIM-XDNAFOTISA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000423332594 1194749670 /nfs/dbraw/zinc/74/96/70/1194749670.db2.gz QSCIETQKLVPPIM-XWTMOSNGSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000423332594 1194749671 /nfs/dbraw/zinc/74/96/71/1194749671.db2.gz QSCIETQKLVPPIM-XWTMOSNGSA-N 2 2 380.533 0.402 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423357806 1194751105 /nfs/dbraw/zinc/75/11/05/1194751105.db2.gz AUYOCIHUJNAJDK-RBUKOAKNSA-N 2 2 388.512 0.509 20 0 GCADLP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000414743922 1194756397 /nfs/dbraw/zinc/75/63/97/1194756397.db2.gz VRELUVLXZBLJLS-HNNXBMFYSA-N 2 2 398.504 0.329 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000423470507 1194758494 /nfs/dbraw/zinc/75/84/94/1194758494.db2.gz WGQZIRAHDRHBHM-QGZVFWFLSA-N 3 2 393.576 0.461 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423497990 1194759812 /nfs/dbraw/zinc/75/98/12/1194759812.db2.gz AUWRMCGUFMPEKK-KBAYOESNSA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423497990 1194759814 /nfs/dbraw/zinc/75/98/14/1194759814.db2.gz AUWRMCGUFMPEKK-KBAYOESNSA-N 3 2 379.549 0.342 20 0 GCADLP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423530538 1194761523 /nfs/dbraw/zinc/76/15/23/1194761523.db2.gz PPGBOLQLGSYKTK-ROUUACIJSA-N 3 2 379.549 0.214 20 0 GCADLP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423530538 1194761525 /nfs/dbraw/zinc/76/15/25/1194761525.db2.gz PPGBOLQLGSYKTK-ROUUACIJSA-N 3 2 379.549 0.214 20 0 GCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517752 1194762157 /nfs/dbraw/zinc/76/21/57/1194762157.db2.gz OGYXAYNFHXVALE-SJLPKXTDSA-N 3 2 398.573 0.946 20 0 GCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517750 1194762438 /nfs/dbraw/zinc/76/24/38/1194762438.db2.gz OGYXAYNFHXVALE-FUHWJXTLSA-N 3 2 398.573 0.946 20 0 GCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000423558311 1194763684 /nfs/dbraw/zinc/76/36/84/1194763684.db2.gz SEGCGNWLIDBROE-SFHVURJKSA-N 2 2 392.544 0.548 20 0 GCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000423558311 1194763686 /nfs/dbraw/zinc/76/36/86/1194763686.db2.gz SEGCGNWLIDBROE-SFHVURJKSA-N 2 2 392.544 0.548 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[C@@H](C)C1 ZINC000423539563 1194765108 /nfs/dbraw/zinc/76/51/08/1194765108.db2.gz OXGWHRYOUCVXGT-RDJZCZTQSA-N 2 2 394.516 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[C@@H](C)C1 ZINC000423539563 1194765109 /nfs/dbraw/zinc/76/51/09/1194765109.db2.gz OXGWHRYOUCVXGT-RDJZCZTQSA-N 2 2 394.516 0.073 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)[C@H](C)C1 ZINC000423544508 1194765495 /nfs/dbraw/zinc/76/54/95/1194765495.db2.gz WWMLSWLXZWOEIF-MRXNPFEDSA-N 2 2 394.516 0.074 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)[C@H](C)C1 ZINC000423544508 1194765497 /nfs/dbraw/zinc/76/54/97/1194765497.db2.gz WWMLSWLXZWOEIF-MRXNPFEDSA-N 2 2 394.516 0.074 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000423588792 1194771760 /nfs/dbraw/zinc/77/17/60/1194771760.db2.gz BIBUIRGTTOGZPT-KRWDZBQOSA-N 3 2 393.576 0.461 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423609379 1194773164 /nfs/dbraw/zinc/77/31/64/1194773164.db2.gz LNMNNKBZFIFNKB-UYAOXDASSA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000423609379 1194773165 /nfs/dbraw/zinc/77/31/65/1194773165.db2.gz LNMNNKBZFIFNKB-UYAOXDASSA-N 2 2 399.539 0.225 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000983227115 1194773238 /nfs/dbraw/zinc/77/32/38/1194773238.db2.gz GULPUFNQQLVPTH-YYIAUSFCSA-N 2 2 391.516 0.662 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000983227115 1194773240 /nfs/dbraw/zinc/77/32/40/1194773240.db2.gz GULPUFNQQLVPTH-YYIAUSFCSA-N 2 2 391.516 0.662 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)[C@@H](C[NH3+])C1 ZINC000423629555 1194775812 /nfs/dbraw/zinc/77/58/12/1194775812.db2.gz BKSRDLHGRCNYHZ-RTBURBONSA-N 2 2 388.512 0.604 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000423661401 1194781041 /nfs/dbraw/zinc/78/10/41/1194781041.db2.gz DMBIATICFXIIQK-HDICACEKSA-N 2 2 390.528 0.932 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000423661401 1194781042 /nfs/dbraw/zinc/78/10/42/1194781042.db2.gz DMBIATICFXIIQK-HDICACEKSA-N 2 2 390.528 0.932 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N(C)C3CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000423677306 1194784893 /nfs/dbraw/zinc/78/48/93/1194784893.db2.gz JVGNWBQFESODTA-UHFFFAOYSA-N 2 2 388.516 0.767 20 0 GCADLP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)[C@H](C)[NH3+] ZINC000423740203 1194792789 /nfs/dbraw/zinc/79/27/89/1194792789.db2.gz IQBYUSYHHDTEMG-LPHOPBHVSA-N 3 2 381.565 0.303 20 0 GCADLP COC[C@]1(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC[NH2+]C1 ZINC000423814956 1194794313 /nfs/dbraw/zinc/79/43/13/1194794313.db2.gz VDHFCBGWWUOIAM-FQEVSTJZSA-N 2 2 377.485 0.844 20 0 GCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000424288071 1194807390 /nfs/dbraw/zinc/80/73/90/1194807390.db2.gz KBHGRSBKMXSTRM-HZPDHXFCSA-N 2 2 398.504 0.518 20 0 GCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000424299959 1194807797 /nfs/dbraw/zinc/80/77/97/1194807797.db2.gz WIIMEKUYFBNVSH-IAGOWNOFSA-N 2 2 398.504 0.518 20 0 GCADLP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424491517 1194816757 /nfs/dbraw/zinc/81/67/57/1194816757.db2.gz DSFNXJSDAHTZEX-KRWDZBQOSA-N 3 2 393.576 0.461 20 0 GCADLP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424491517 1194816758 /nfs/dbraw/zinc/81/67/58/1194816758.db2.gz DSFNXJSDAHTZEX-KRWDZBQOSA-N 3 2 393.576 0.461 20 0 GCADLP CC[N@H+](Cc1ccc(C(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)cc1)C1CC1 ZINC000434650963 1194857675 /nfs/dbraw/zinc/85/76/75/1194857675.db2.gz AKWYJUVYIIRNSK-LJQANCHMSA-N 2 2 388.512 0.929 20 0 GCADLP CC[N@@H+](Cc1ccc(C(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)cc1)C1CC1 ZINC000434650963 1194857678 /nfs/dbraw/zinc/85/76/78/1194857678.db2.gz AKWYJUVYIIRNSK-LJQANCHMSA-N 2 2 388.512 0.929 20 0 GCADLP CC[NH+](Cc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1)C1CC1 ZINC000434650963 1194857681 /nfs/dbraw/zinc/85/76/81/1194857681.db2.gz AKWYJUVYIIRNSK-LJQANCHMSA-N 2 2 388.512 0.929 20 0 GCADLP CC[NH+](Cc1ccc(C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1)C1CC1 ZINC000434650963 1194857683 /nfs/dbraw/zinc/85/76/83/1194857683.db2.gz AKWYJUVYIIRNSK-LJQANCHMSA-N 2 2 388.512 0.929 20 0 GCADLP COC[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000434790396 1194870002 /nfs/dbraw/zinc/87/00/02/1194870002.db2.gz UIFXYCWQZMVYNW-PMACEKPBSA-N 2 2 391.512 0.919 20 0 GCADLP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)Cc1ccccc1 ZINC000435021774 1194883391 /nfs/dbraw/zinc/88/33/91/1194883391.db2.gz RWXWBMYRLZZHJH-KRWDZBQOSA-N 2 2 384.484 0.929 20 0 GCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000514673137 1194893339 /nfs/dbraw/zinc/89/33/39/1194893339.db2.gz QVMKASKMBORGED-ZDUSSCGKSA-N 2 2 396.438 0.707 20 0 GCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000514673137 1194893344 /nfs/dbraw/zinc/89/33/44/1194893344.db2.gz QVMKASKMBORGED-ZDUSSCGKSA-N 2 2 396.438 0.707 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000283274335 1194913554 /nfs/dbraw/zinc/91/35/54/1194913554.db2.gz GCRVMUGEQMQNNM-WMLDXEAASA-N 2 2 396.919 0.896 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000283274335 1194913555 /nfs/dbraw/zinc/91/35/55/1194913555.db2.gz GCRVMUGEQMQNNM-WMLDXEAASA-N 2 2 396.919 0.896 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1F ZINC000435277727 1194914557 /nfs/dbraw/zinc/91/45/57/1194914557.db2.gz KGEFYGLTSITPFV-INIZCTEOSA-N 2 2 395.479 0.215 20 0 GCADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1F ZINC000435277727 1194914560 /nfs/dbraw/zinc/91/45/60/1194914560.db2.gz KGEFYGLTSITPFV-INIZCTEOSA-N 2 2 395.479 0.215 20 0 GCADLP COc1ccccc1[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000435575818 1194945144 /nfs/dbraw/zinc/94/51/44/1194945144.db2.gz FANUEFLWSKWPEF-WMZOPIPTSA-N 2 2 394.516 0.632 20 0 GCADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436064198 1194983422 /nfs/dbraw/zinc/98/34/22/1194983422.db2.gz ZEDKGTKYDVSMIR-KRWDZBQOSA-N 2 2 389.500 0.694 20 0 GCADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436064198 1194983423 /nfs/dbraw/zinc/98/34/23/1194983423.db2.gz ZEDKGTKYDVSMIR-KRWDZBQOSA-N 2 2 389.500 0.694 20 0 GCADLP COC1CC[NH+](C2(CNC(=O)C(=O)NCCCn3cc[nH+]c3)CCCC2)CC1 ZINC000516020441 1195016612 /nfs/dbraw/zinc/01/66/12/1195016612.db2.gz ARZBYNJGPYPKPP-UHFFFAOYSA-N 2 2 391.516 0.929 20 0 GCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333697762 1195035223 /nfs/dbraw/zinc/03/52/23/1195035223.db2.gz DJGASXNOWMOWLZ-WMZOPIPTSA-N 2 2 378.517 0.443 20 0 GCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333697762 1195035226 /nfs/dbraw/zinc/03/52/26/1195035226.db2.gz DJGASXNOWMOWLZ-WMZOPIPTSA-N 2 2 378.517 0.443 20 0 GCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000414904512 1195108828 /nfs/dbraw/zinc/10/88/28/1195108828.db2.gz LXJBJUQYWCPUGG-AWEZNQCLSA-N 2 2 392.456 0.058 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000437424262 1195109141 /nfs/dbraw/zinc/10/91/41/1195109141.db2.gz DUMSXLRMBWBRAV-UHFFFAOYSA-N 2 2 376.505 0.332 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000437424262 1195109143 /nfs/dbraw/zinc/10/91/43/1195109143.db2.gz DUMSXLRMBWBRAV-UHFFFAOYSA-N 2 2 376.505 0.332 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000516915421 1195112457 /nfs/dbraw/zinc/11/24/57/1195112457.db2.gz HMMBJQCCAGNAHC-QZTJIDSGSA-N 2 2 382.549 0.840 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000437462628 1195112800 /nfs/dbraw/zinc/11/28/00/1195112800.db2.gz OLQFAKBQAFIXMU-UHFFFAOYSA-N 2 2 389.500 0.137 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000437462628 1195112801 /nfs/dbraw/zinc/11/28/01/1195112801.db2.gz OLQFAKBQAFIXMU-UHFFFAOYSA-N 2 2 389.500 0.137 20 0 GCADLP Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437465306 1195113909 /nfs/dbraw/zinc/11/39/09/1195113909.db2.gz DGTYCTXMAKAWGJ-UHFFFAOYSA-N 2 2 377.489 0.117 20 0 GCADLP Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437465306 1195113914 /nfs/dbraw/zinc/11/39/14/1195113914.db2.gz DGTYCTXMAKAWGJ-UHFFFAOYSA-N 2 2 377.489 0.117 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000425860500 1195137435 /nfs/dbraw/zinc/13/74/35/1195137435.db2.gz HHJASFQSORLVQB-QGZVFWFLSA-N 2 2 398.548 0.029 20 0 GCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414913001 1195149434 /nfs/dbraw/zinc/14/94/34/1195149434.db2.gz ZFUSURSDFLTPFS-UONOGXRCSA-N 2 2 376.457 0.741 20 0 GCADLP CN(CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ncnc2[nH]cnc21 ZINC000517650803 1195204243 /nfs/dbraw/zinc/20/42/43/1195204243.db2.gz FVUABGCXYSLCCO-UHFFFAOYSA-N 2 2 381.444 0.575 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000550016269 1195314975 /nfs/dbraw/zinc/31/49/75/1195314975.db2.gz PLFQLHZNKNHASE-GOSISDBHSA-N 2 2 388.512 0.292 20 0 GCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000550016269 1195314978 /nfs/dbraw/zinc/31/49/78/1195314978.db2.gz PLFQLHZNKNHASE-GOSISDBHSA-N 2 2 388.512 0.292 20 0 GCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000426385645 1195320548 /nfs/dbraw/zinc/32/05/48/1195320548.db2.gz PRKCHYDIJAVQPF-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000426385645 1195320555 /nfs/dbraw/zinc/32/05/55/1195320555.db2.gz PRKCHYDIJAVQPF-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000426385645 1195320560 /nfs/dbraw/zinc/32/05/60/1195320560.db2.gz PRKCHYDIJAVQPF-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000426385645 1195320564 /nfs/dbraw/zinc/32/05/64/1195320564.db2.gz PRKCHYDIJAVQPF-YZGWKJHDSA-N 2 2 390.528 0.889 20 0 GCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000440293115 1195402957 /nfs/dbraw/zinc/40/29/57/1195402957.db2.gz LSHYGVLTFRKHDG-CQSZACIVSA-N 2 2 375.473 0.656 20 0 GCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000440293115 1195402962 /nfs/dbraw/zinc/40/29/62/1195402962.db2.gz LSHYGVLTFRKHDG-CQSZACIVSA-N 2 2 375.473 0.656 20 0 GCADLP CC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000550035986 1195420617 /nfs/dbraw/zinc/42/06/17/1195420617.db2.gz MWIDVWQGVWFSLS-UHFFFAOYSA-N 2 2 387.528 0.525 20 0 GCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000550132370 1195443740 /nfs/dbraw/zinc/44/37/40/1195443740.db2.gz GSGHJDRGQGFNBS-KRWDZBQOSA-N 2 2 388.512 0.688 20 0 GCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000550132370 1195443744 /nfs/dbraw/zinc/44/37/44/1195443744.db2.gz GSGHJDRGQGFNBS-KRWDZBQOSA-N 2 2 388.512 0.688 20 0 GCADLP COc1ccc([C@@H]2CC[N@H+](CCO)C[C@@H]2NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cc1 ZINC001087474546 1195453666 /nfs/dbraw/zinc/45/36/66/1195453666.db2.gz LGSDGBINWKQQHI-XFWGSAIBSA-N 2 2 391.512 0.681 20 0 GCADLP COc1ccc([C@@H]2CC[N@@H+](CCO)C[C@@H]2NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cc1 ZINC001087474546 1195453669 /nfs/dbraw/zinc/45/36/69/1195453669.db2.gz LGSDGBINWKQQHI-XFWGSAIBSA-N 2 2 391.512 0.681 20 0 GCADLP COc1ccc([C@@H]2CC[NH+](CCO)C[C@@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001087474546 1195453671 /nfs/dbraw/zinc/45/36/71/1195453671.db2.gz LGSDGBINWKQQHI-XFWGSAIBSA-N 2 2 391.512 0.681 20 0 GCADLP COc1ccc([C@@H]2CC[NH+](CCO)C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001087474546 1195453672 /nfs/dbraw/zinc/45/36/72/1195453672.db2.gz LGSDGBINWKQQHI-XFWGSAIBSA-N 2 2 391.512 0.681 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000550275739 1195474876 /nfs/dbraw/zinc/47/48/76/1195474876.db2.gz DGIVUPUYSVDCOI-SJORKVTESA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000550275739 1195474877 /nfs/dbraw/zinc/47/48/77/1195474877.db2.gz DGIVUPUYSVDCOI-SJORKVTESA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000550278162 1195475654 /nfs/dbraw/zinc/47/56/54/1195475654.db2.gz FPEJZCSSRKUPAG-KRWDZBQOSA-N 2 2 382.549 0.792 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000550278162 1195475656 /nfs/dbraw/zinc/47/56/56/1195475656.db2.gz FPEJZCSSRKUPAG-KRWDZBQOSA-N 2 2 382.549 0.792 20 0 GCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535263471 1195476927 /nfs/dbraw/zinc/47/69/27/1195476927.db2.gz ZJXJSCRTNLRICB-INIZCTEOSA-N 2 2 379.530 0.915 20 0 GCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535263471 1195476931 /nfs/dbraw/zinc/47/69/31/1195476931.db2.gz ZJXJSCRTNLRICB-INIZCTEOSA-N 2 2 379.530 0.915 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550278588 1195483122 /nfs/dbraw/zinc/48/31/22/1195483122.db2.gz XAFAFBHUMWKVFU-QZTJIDSGSA-N 2 2 382.549 0.840 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550278588 1195483124 /nfs/dbraw/zinc/48/31/24/1195483124.db2.gz XAFAFBHUMWKVFU-QZTJIDSGSA-N 2 2 382.549 0.840 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000785402064 1195513980 /nfs/dbraw/zinc/51/39/80/1195513980.db2.gz ZVSHQXRPZOIVDU-IBGZPJMESA-N 2 2 399.495 0.962 20 0 GCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000785402064 1195513983 /nfs/dbraw/zinc/51/39/83/1195513983.db2.gz ZVSHQXRPZOIVDU-IBGZPJMESA-N 2 2 399.495 0.962 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883776 1195551495 /nfs/dbraw/zinc/55/14/95/1195551495.db2.gz MUPDWNFYGLLBMW-VQTPCSAVSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883776 1195551500 /nfs/dbraw/zinc/55/15/00/1195551500.db2.gz MUPDWNFYGLLBMW-VQTPCSAVSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883776 1195551506 /nfs/dbraw/zinc/55/15/06/1195551506.db2.gz MUPDWNFYGLLBMW-VQTPCSAVSA-N 2 2 395.548 0.478 20 0 GCADLP COCC[NH2+]C1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000519758725 1195569907 /nfs/dbraw/zinc/56/99/07/1195569907.db2.gz DWYIMAOKXUDPGK-UHFFFAOYSA-N 2 2 399.495 0.775 20 0 GCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000520227573 1195608143 /nfs/dbraw/zinc/60/81/43/1195608143.db2.gz OYRUZASHZKFYKQ-LSDHHAIUSA-N 2 2 378.439 0.582 20 0 GCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000520227573 1195608147 /nfs/dbraw/zinc/60/81/47/1195608147.db2.gz OYRUZASHZKFYKQ-LSDHHAIUSA-N 2 2 378.439 0.582 20 0 GCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000520227572 1195608324 /nfs/dbraw/zinc/60/83/24/1195608324.db2.gz OYRUZASHZKFYKQ-HUUCEWRRSA-N 2 2 378.439 0.582 20 0 GCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000520227572 1195608327 /nfs/dbraw/zinc/60/83/27/1195608327.db2.gz OYRUZASHZKFYKQ-HUUCEWRRSA-N 2 2 378.439 0.582 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000579230219 1195618767 /nfs/dbraw/zinc/61/87/67/1195618767.db2.gz FDJGEWQNSCRGEG-UHFFFAOYSA-N 2 2 398.548 0.620 20 0 GCADLP CO[C@@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H](C)C1 ZINC000441380365 1195629432 /nfs/dbraw/zinc/62/94/32/1195629432.db2.gz QPUSFWSBGQVIBV-LSDHHAIUSA-N 2 2 387.488 0.511 20 0 GCADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H](C)C1 ZINC000441380365 1195629434 /nfs/dbraw/zinc/62/94/34/1195629434.db2.gz QPUSFWSBGQVIBV-LSDHHAIUSA-N 2 2 387.488 0.511 20 0 GCADLP CC[NH+](CC)CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000550327442 1195633722 /nfs/dbraw/zinc/63/37/22/1195633722.db2.gz ICRDICSPFWNRLI-UHFFFAOYSA-N 2 2 393.507 0.522 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355081 1195641330 /nfs/dbraw/zinc/64/13/30/1195641330.db2.gz BITMEWPASLTQLK-ZWKOTPCHSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355081 1195641334 /nfs/dbraw/zinc/64/13/34/1195641334.db2.gz BITMEWPASLTQLK-ZWKOTPCHSA-N 2 2 380.533 0.545 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000550361404 1195645844 /nfs/dbraw/zinc/64/58/44/1195645844.db2.gz FDPNUHIVJGKODN-KURKYZTESA-N 2 2 382.549 0.648 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000550361404 1195645845 /nfs/dbraw/zinc/64/58/45/1195645845.db2.gz FDPNUHIVJGKODN-KURKYZTESA-N 2 2 382.549 0.648 20 0 GCADLP COc1cccc(CC(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000328664294 1195658639 /nfs/dbraw/zinc/65/86/39/1195658639.db2.gz BSEPCLNDAPDSHI-UHFFFAOYSA-N 2 2 388.512 0.546 20 0 GCADLP CC1CC[NH+](CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000520436032 1195675675 /nfs/dbraw/zinc/67/56/75/1195675675.db2.gz UFDKQIGQSDUIDW-ROUUACIJSA-N 2 2 380.533 0.594 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000328954918 1195678482 /nfs/dbraw/zinc/67/84/82/1195678482.db2.gz OPNZYYVHJOKSDI-AOIWGVFYSA-N 2 2 379.549 0.023 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000328954918 1195678486 /nfs/dbraw/zinc/67/84/86/1195678486.db2.gz OPNZYYVHJOKSDI-AOIWGVFYSA-N 2 2 379.549 0.023 20 0 GCADLP CN(CC1([NH+](C)C)CCC1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000189712531 1195751597 /nfs/dbraw/zinc/75/15/97/1195751597.db2.gz RSIWZRUXHWGLAV-UHFFFAOYSA-N 2 2 375.521 0.724 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000520514847 1195778091 /nfs/dbraw/zinc/77/80/91/1195778091.db2.gz ULQGTGKUZPKABY-UHFFFAOYSA-N 2 2 387.532 0.915 20 0 GCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000983954980 1195810765 /nfs/dbraw/zinc/81/07/65/1195810765.db2.gz UYTABNBKHVPTSR-AHEZYBDSSA-N 2 2 391.516 0.723 20 0 GCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000983954980 1195810768 /nfs/dbraw/zinc/81/07/68/1195810768.db2.gz UYTABNBKHVPTSR-AHEZYBDSSA-N 2 2 391.516 0.723 20 0 GCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000186141008 1195859388 /nfs/dbraw/zinc/85/93/88/1195859388.db2.gz JUIZSQVUXICCNV-RTBURBONSA-N 2 2 381.565 0.766 20 0 GCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000186141008 1195859392 /nfs/dbraw/zinc/85/93/92/1195859392.db2.gz JUIZSQVUXICCNV-RTBURBONSA-N 2 2 381.565 0.766 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520847774 1195927930 /nfs/dbraw/zinc/92/79/30/1195927930.db2.gz RSRIIQQSJFYTOP-IXDOHACOSA-N 2 2 382.549 0.981 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520847774 1195927931 /nfs/dbraw/zinc/92/79/31/1195927931.db2.gz RSRIIQQSJFYTOP-IXDOHACOSA-N 2 2 382.549 0.981 20 0 GCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520847774 1195927935 /nfs/dbraw/zinc/92/79/35/1195927935.db2.gz RSRIIQQSJFYTOP-IXDOHACOSA-N 2 2 382.549 0.981 20 0 GCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520847774 1195927937 /nfs/dbraw/zinc/92/79/37/1195927937.db2.gz RSRIIQQSJFYTOP-IXDOHACOSA-N 2 2 382.549 0.981 20 0 GCADLP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3nc4c(s3)C[N@H+](C)CC4)C[C@@H]21 ZINC001270978768 1195928926 /nfs/dbraw/zinc/92/89/26/1195928926.db2.gz WHBDTCBFMZOVHX-GJZGRUSLSA-N 2 2 379.530 0.218 20 0 GCADLP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3nc4c(s3)C[N@@H+](C)CC4)C[C@@H]21 ZINC001270978768 1195928928 /nfs/dbraw/zinc/92/89/28/1195928928.db2.gz WHBDTCBFMZOVHX-GJZGRUSLSA-N 2 2 379.530 0.218 20 0 GCADLP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000521143816 1195965838 /nfs/dbraw/zinc/96/58/38/1195965838.db2.gz VRRRAUAQVHUWMY-IBGZPJMESA-N 3 2 381.565 0.269 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCCC(C)(C)CO)CC2)CC1 ZINC000550456540 1195976395 /nfs/dbraw/zinc/97/63/95/1195976395.db2.gz CPOMFWQVDXKMBB-UHFFFAOYSA-N 2 2 382.549 0.576 20 0 GCADLP CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000442778524 1196003194 /nfs/dbraw/zinc/00/31/94/1196003194.db2.gz KQJRLZTUOZXMQH-WBVHZDCISA-N 2 2 396.532 0.317 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443059348 1196018726 /nfs/dbraw/zinc/01/87/26/1196018726.db2.gz MNNJHJIAZWEVJH-HNNXBMFYSA-N 3 2 386.504 0.073 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443059348 1196018728 /nfs/dbraw/zinc/01/87/28/1196018728.db2.gz MNNJHJIAZWEVJH-HNNXBMFYSA-N 3 2 386.504 0.073 20 0 GCADLP CC(C)[NH+]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000522133127 1196045418 /nfs/dbraw/zinc/04/54/18/1196045418.db2.gz BVGKDQHPSFSBSR-UHFFFAOYSA-N 2 2 388.516 0.856 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccnc(OC)n1 ZINC001087622619 1196052934 /nfs/dbraw/zinc/05/29/34/1196052934.db2.gz XDNGEFQSWJDVPK-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccnc(OC)n1 ZINC001087622619 1196052937 /nfs/dbraw/zinc/05/29/37/1196052937.db2.gz XDNGEFQSWJDVPK-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccnc(OC)n1 ZINC001087622619 1196052939 /nfs/dbraw/zinc/05/29/39/1196052939.db2.gz XDNGEFQSWJDVPK-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccnc(OC)n1 ZINC001087622619 1196052944 /nfs/dbraw/zinc/05/29/44/1196052944.db2.gz XDNGEFQSWJDVPK-XLNGHYISSA-N 2 2 377.489 0.673 20 0 GCADLP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000429675789 1196054086 /nfs/dbraw/zinc/05/40/86/1196054086.db2.gz OTGSBDTWJFGAQX-KDURUIRLSA-N 2 2 393.576 0.273 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000550549389 1196083496 /nfs/dbraw/zinc/08/34/96/1196083496.db2.gz BQTYEUSZHUWPCU-SFHVURJKSA-N 2 2 385.468 0.385 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000550549389 1196083498 /nfs/dbraw/zinc/08/34/98/1196083498.db2.gz BQTYEUSZHUWPCU-SFHVURJKSA-N 2 2 385.468 0.385 20 0 GCADLP COCC[NH+]1CCC(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000522409639 1196092696 /nfs/dbraw/zinc/09/26/96/1196092696.db2.gz LDZKEZLWPGMITF-UHFFFAOYSA-N 3 2 381.565 0.955 20 0 GCADLP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895767433 1196111556 /nfs/dbraw/zinc/11/15/56/1196111556.db2.gz YRKLXKCAUBLQAV-LJQANCHMSA-N 2 2 389.496 0.782 20 0 GCADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000054511179 1196141047 /nfs/dbraw/zinc/14/10/47/1196141047.db2.gz RTHURDSOSWWEFA-QGZVFWFLSA-N 2 2 375.521 0.630 20 0 GCADLP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000054511179 1196141050 /nfs/dbraw/zinc/14/10/50/1196141050.db2.gz RTHURDSOSWWEFA-QGZVFWFLSA-N 2 2 375.521 0.630 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828681 1196144794 /nfs/dbraw/zinc/14/47/94/1196144794.db2.gz XMMNPGAVEHLUFE-OLZOCXBDSA-N 2 2 380.493 0.353 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828681 1196144795 /nfs/dbraw/zinc/14/47/95/1196144795.db2.gz XMMNPGAVEHLUFE-OLZOCXBDSA-N 2 2 380.493 0.353 20 0 GCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400899 1196147178 /nfs/dbraw/zinc/14/71/78/1196147178.db2.gz OPZMPTIMFFUAQA-CRAIPNDOSA-N 2 2 376.505 0.313 20 0 GCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400899 1196147182 /nfs/dbraw/zinc/14/71/82/1196147182.db2.gz OPZMPTIMFFUAQA-CRAIPNDOSA-N 2 2 376.505 0.313 20 0 GCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400899 1196147183 /nfs/dbraw/zinc/14/71/83/1196147183.db2.gz OPZMPTIMFFUAQA-CRAIPNDOSA-N 2 2 376.505 0.313 20 0 GCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000896400899 1196147185 /nfs/dbraw/zinc/14/71/85/1196147185.db2.gz OPZMPTIMFFUAQA-CRAIPNDOSA-N 2 2 376.505 0.313 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1=O ZINC000329352230 1196188308 /nfs/dbraw/zinc/18/83/08/1196188308.db2.gz DTMFFAUCDIOVTR-MANSERQUSA-N 2 2 392.544 0.641 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1=O ZINC000329352230 1196188311 /nfs/dbraw/zinc/18/83/11/1196188311.db2.gz DTMFFAUCDIOVTR-MANSERQUSA-N 2 2 392.544 0.641 20 0 GCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329374391 1196190520 /nfs/dbraw/zinc/19/05/20/1196190520.db2.gz LBJQSQYLHLOMFO-SQNIBIBYSA-N 2 2 378.517 0.252 20 0 GCADLP CN(C(=O)COc1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329386589 1196191345 /nfs/dbraw/zinc/19/13/45/1196191345.db2.gz SLSXGTJQFVSXAJ-UHFFFAOYSA-N 2 2 389.500 0.157 20 0 GCADLP O=C1[C@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCCN1CC(F)(F)F ZINC000329387828 1196191463 /nfs/dbraw/zinc/19/14/63/1196191463.db2.gz RBUHNHYPTMFMPV-CQSZACIVSA-N 2 2 379.423 0.699 20 0 GCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000329621633 1196211123 /nfs/dbraw/zinc/21/11/23/1196211123.db2.gz RPFQIUUNQSKDSI-QAPCUYQASA-N 2 2 383.514 0.425 20 0 GCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000329621633 1196211127 /nfs/dbraw/zinc/21/11/27/1196211127.db2.gz RPFQIUUNQSKDSI-QAPCUYQASA-N 2 2 383.514 0.425 20 0 GCADLP CN(C(=O)C(=O)NCCOCC1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643416523 1196215695 /nfs/dbraw/zinc/21/56/95/1196215695.db2.gz GASOYYVZNIBBAG-IBGZPJMESA-N 2 2 394.560 0.936 20 0 GCADLP CN(C(=O)C(=O)NCCOCC1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643416523 1196215697 /nfs/dbraw/zinc/21/56/97/1196215697.db2.gz GASOYYVZNIBBAG-IBGZPJMESA-N 2 2 394.560 0.936 20 0 GCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000330015785 1196246482 /nfs/dbraw/zinc/24/64/82/1196246482.db2.gz ONVFETIQSNVNKB-INIZCTEOSA-N 2 2 399.499 0.601 20 0 GCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000330015785 1196246486 /nfs/dbraw/zinc/24/64/86/1196246486.db2.gz ONVFETIQSNVNKB-INIZCTEOSA-N 2 2 399.499 0.601 20 0 GCADLP CC[C@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330255462 1196262004 /nfs/dbraw/zinc/26/20/04/1196262004.db2.gz PRPRAIRHAXZHFT-RTBURBONSA-N 2 2 394.560 0.888 20 0 GCADLP Cc1cccc(=O)n1C[C@](C)(O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000280991924 1196269246 /nfs/dbraw/zinc/26/92/46/1196269246.db2.gz SZKRXXKRJIOJII-FQEVSTJZSA-N 2 2 378.517 0.392 20 0 GCADLP Cc1cccc(=O)n1C[C@](C)(O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000280991924 1196269249 /nfs/dbraw/zinc/26/92/49/1196269249.db2.gz SZKRXXKRJIOJII-FQEVSTJZSA-N 2 2 378.517 0.392 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281719010 1196325324 /nfs/dbraw/zinc/32/53/24/1196325324.db2.gz RTNBSTXDJLSSHI-HNNXBMFYSA-N 2 2 381.908 0.702 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281719010 1196325329 /nfs/dbraw/zinc/32/53/29/1196325329.db2.gz RTNBSTXDJLSSHI-HNNXBMFYSA-N 2 2 381.908 0.702 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717531 1196447177 /nfs/dbraw/zinc/44/71/77/1196447177.db2.gz CZTFFEXMOFDKEH-AVRDEDQJSA-N 2 2 399.539 0.994 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717531 1196447182 /nfs/dbraw/zinc/44/71/82/1196447182.db2.gz CZTFFEXMOFDKEH-AVRDEDQJSA-N 2 2 399.539 0.994 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717534 1196447526 /nfs/dbraw/zinc/44/75/26/1196447526.db2.gz CZTFFEXMOFDKEH-XMSQKQJNSA-N 2 2 399.539 0.994 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717534 1196447530 /nfs/dbraw/zinc/44/75/30/1196447530.db2.gz CZTFFEXMOFDKEH-XMSQKQJNSA-N 2 2 399.539 0.994 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCC[NH+](C)C)CC1 ZINC000445070524 1196543166 /nfs/dbraw/zinc/54/31/66/1196543166.db2.gz MCSAFZSJSRGHHA-UHFFFAOYSA-N 2 2 389.500 0.357 20 0 GCADLP C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000524444937 1196596974 /nfs/dbraw/zinc/59/69/74/1196596974.db2.gz RSHVAFVXPICKPO-KRWDZBQOSA-N 2 2 380.533 0.548 20 0 GCADLP Cn1cc(N2C(=O)C[C@@H]([NH+]3CCC(OCC[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000524718935 1196619167 /nfs/dbraw/zinc/61/91/67/1196619167.db2.gz GYISYXBDVHXOGD-QGZVFWFLSA-N 2 2 375.473 0.629 20 0 GCADLP O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000447908909 1196756869 /nfs/dbraw/zinc/75/68/69/1196756869.db2.gz AVTRATORSYEKFH-OALUTQOASA-N 2 2 377.485 0.265 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000527079990 1196763516 /nfs/dbraw/zinc/76/35/16/1196763516.db2.gz AHPBOYPXRANDQB-OAHLLOKOSA-N 2 2 375.473 0.623 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000527079990 1196763517 /nfs/dbraw/zinc/76/35/17/1196763517.db2.gz AHPBOYPXRANDQB-OAHLLOKOSA-N 2 2 375.473 0.623 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000729590374 1196853360 /nfs/dbraw/zinc/85/33/60/1196853360.db2.gz ZIEMQAZCGHRTDV-UHFFFAOYSA-N 2 2 386.504 0.830 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000729590374 1196853364 /nfs/dbraw/zinc/85/33/64/1196853364.db2.gz ZIEMQAZCGHRTDV-UHFFFAOYSA-N 2 2 386.504 0.830 20 0 GCADLP C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528454606 1196860801 /nfs/dbraw/zinc/86/08/01/1196860801.db2.gz YMBVXAUUFIBFHT-YSSFQJQWSA-N 2 2 376.545 0.975 20 0 GCADLP CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000528733983 1196884845 /nfs/dbraw/zinc/88/48/45/1196884845.db2.gz DKZLEWFXLVZNHE-UHFFFAOYSA-N 2 2 388.512 0.689 20 0 GCADLP CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000528733983 1196884851 /nfs/dbraw/zinc/88/48/51/1196884851.db2.gz DKZLEWFXLVZNHE-UHFFFAOYSA-N 2 2 388.512 0.689 20 0 GCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCSC1 ZINC000671071936 1196891694 /nfs/dbraw/zinc/89/16/94/1196891694.db2.gz WLVITBLRYLZSGD-APWZRJJASA-N 2 2 376.526 0.843 20 0 GCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@H]1COCC[NH2+]1 ZINC000529299330 1196911697 /nfs/dbraw/zinc/91/16/97/1196911697.db2.gz MMTRRZIOAGOQCI-KRWDZBQOSA-N 2 2 378.473 0.185 20 0 GCADLP COCCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323143 1196924694 /nfs/dbraw/zinc/92/46/94/1196924694.db2.gz FRWXSMODVGEKQM-WOJBJXKFSA-N 2 2 392.544 0.940 20 0 GCADLP COCCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323143 1196924698 /nfs/dbraw/zinc/92/46/98/1196924698.db2.gz FRWXSMODVGEKQM-WOJBJXKFSA-N 2 2 392.544 0.940 20 0 GCADLP CNc1nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[nH+]c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000450834319 1196956955 /nfs/dbraw/zinc/95/69/55/1196956955.db2.gz ZLNAMPRKIQYNBI-DBPPKFAGSA-N 3 2 386.548 0.253 20 0 GCADLP CNc1nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[nH+]c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000450834319 1196956957 /nfs/dbraw/zinc/95/69/57/1196956957.db2.gz ZLNAMPRKIQYNBI-DBPPKFAGSA-N 3 2 386.548 0.253 20 0 GCADLP CC(C)n1cc([C@@]2(O)CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000375340118 1196980686 /nfs/dbraw/zinc/98/06/86/1196980686.db2.gz BLQVMMZPARAWOS-LJQANCHMSA-N 2 2 378.521 0.741 20 0 GCADLP CC(C)n1cc([C@@]2(O)CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000375340118 1196980688 /nfs/dbraw/zinc/98/06/88/1196980688.db2.gz BLQVMMZPARAWOS-LJQANCHMSA-N 2 2 378.521 0.741 20 0 GCADLP CN(C(=O)[C@@H]1CC12CCOCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000530674650 1197007236 /nfs/dbraw/zinc/00/72/36/1197007236.db2.gz BPAIBWUPRMUNML-SFHVURJKSA-N 2 2 392.544 0.500 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000530719777 1197011735 /nfs/dbraw/zinc/01/17/35/1197011735.db2.gz LOYZFVUGNOXHPZ-MOPGFXCFSA-N 2 2 376.501 0.445 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000530719777 1197011739 /nfs/dbraw/zinc/01/17/39/1197011739.db2.gz LOYZFVUGNOXHPZ-MOPGFXCFSA-N 2 2 376.501 0.445 20 0 GCADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452345063 1197052753 /nfs/dbraw/zinc/05/27/53/1197052753.db2.gz PUZGTVSUVUGVQY-MOPGFXCFSA-N 2 2 394.560 0.794 20 0 GCADLP C[C@@H](Cc1cnccn1)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000453061570 1197096004 /nfs/dbraw/zinc/09/60/04/1197096004.db2.gz DARSBSPJFFMAFD-INIZCTEOSA-N 2 2 390.513 0.544 20 0 GCADLP Cc1oc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000531788350 1197097679 /nfs/dbraw/zinc/09/76/79/1197097679.db2.gz YMDWDMIDIZHSFN-UHFFFAOYSA-N 2 2 379.442 0.635 20 0 GCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCc3c[nH+]c(N(C)C)n3C)C2)CC1 ZINC000532350255 1197147358 /nfs/dbraw/zinc/14/73/58/1197147358.db2.gz UXCARBJUTKVVIG-INIZCTEOSA-N 2 2 377.537 0.796 20 0 GCADLP COCc1ccc(CNC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000360019200 1197155438 /nfs/dbraw/zinc/15/54/38/1197155438.db2.gz RFSZELHKYCVCTO-UHFFFAOYSA-N 2 2 391.512 0.608 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1=O ZINC000171726840 1197158759 /nfs/dbraw/zinc/15/87/59/1197158759.db2.gz NEBWWKSCUOWQIZ-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1=O ZINC000171726840 1197158762 /nfs/dbraw/zinc/15/87/62/1197158762.db2.gz NEBWWKSCUOWQIZ-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC000171726840 1197158764 /nfs/dbraw/zinc/15/87/64/1197158764.db2.gz NEBWWKSCUOWQIZ-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC000171726840 1197158767 /nfs/dbraw/zinc/15/87/67/1197158767.db2.gz NEBWWKSCUOWQIZ-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC000986324522 1197165539 /nfs/dbraw/zinc/16/55/39/1197165539.db2.gz QMZXGNHWMXESBR-NRSFXHEJSA-N 2 2 389.500 0.218 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC000986324522 1197165543 /nfs/dbraw/zinc/16/55/43/1197165543.db2.gz QMZXGNHWMXESBR-NRSFXHEJSA-N 2 2 389.500 0.218 20 0 GCADLP O=C(CCN1CC[NH+](C2CCOCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000175498388 1197184411 /nfs/dbraw/zinc/18/44/11/1197184411.db2.gz XWMBEYZMMWNOOK-UHFFFAOYSA-N 2 2 387.528 0.917 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000176294259 1197186460 /nfs/dbraw/zinc/18/64/60/1197186460.db2.gz NPEGNDMBWJVHRT-IBGZPJMESA-N 2 2 385.472 0.124 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000176294259 1197186461 /nfs/dbraw/zinc/18/64/61/1197186461.db2.gz NPEGNDMBWJVHRT-IBGZPJMESA-N 2 2 385.472 0.124 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000652999542 1197197568 /nfs/dbraw/zinc/19/75/68/1197197568.db2.gz BAGYVODOMOPXQS-OAQYLSRUSA-N 2 2 391.512 0.431 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000652999542 1197197569 /nfs/dbraw/zinc/19/75/69/1197197569.db2.gz BAGYVODOMOPXQS-OAQYLSRUSA-N 2 2 391.512 0.431 20 0 GCADLP CC(C)[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[NH+](C(C)C)CC3)[nH]n2)CC1 ZINC000666140855 1197223293 /nfs/dbraw/zinc/22/32/93/1197223293.db2.gz KSPOCNBDCMQCMC-UHFFFAOYSA-N 2 2 376.505 0.742 20 0 GCADLP COC(=O)Cn1cc(CC[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000188326628 1197232660 /nfs/dbraw/zinc/23/26/60/1197232660.db2.gz KSQIEGMEPAGHNJ-FQEVSTJZSA-N 2 2 387.484 0.562 20 0 GCADLP COC(=O)Cn1cc(CC[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000188326628 1197232661 /nfs/dbraw/zinc/23/26/61/1197232661.db2.gz KSQIEGMEPAGHNJ-FQEVSTJZSA-N 2 2 387.484 0.562 20 0 GCADLP COC(=O)Cn1cc(CC[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000188326628 1197232663 /nfs/dbraw/zinc/23/26/63/1197232663.db2.gz KSQIEGMEPAGHNJ-FQEVSTJZSA-N 2 2 387.484 0.562 20 0 GCADLP COC(=O)Cn1cc(CC[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000188326628 1197232665 /nfs/dbraw/zinc/23/26/65/1197232665.db2.gz KSQIEGMEPAGHNJ-FQEVSTJZSA-N 2 2 387.484 0.562 20 0 GCADLP CN1CC[NH+](CCCCNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000532428947 1197294244 /nfs/dbraw/zinc/29/42/44/1197294244.db2.gz OXVWEXWKMVBWRJ-OALUTQOASA-N 2 2 381.565 0.957 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000105316853 1197326316 /nfs/dbraw/zinc/32/63/16/1197326316.db2.gz ORHSJYTUIIYHNT-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000105316853 1197326320 /nfs/dbraw/zinc/32/63/20/1197326320.db2.gz ORHSJYTUIIYHNT-SJORKVTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC000105337901 1197326728 /nfs/dbraw/zinc/32/67/28/1197326728.db2.gz FKMXFGOGJAQCRS-BSDSXHPESA-N 2 2 380.533 0.545 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC000105337901 1197326733 /nfs/dbraw/zinc/32/67/33/1197326733.db2.gz FKMXFGOGJAQCRS-BSDSXHPESA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105130266 1197337884 /nfs/dbraw/zinc/33/78/84/1197337884.db2.gz HVXALXBUZANPKN-GBESFXJTSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105130266 1197337886 /nfs/dbraw/zinc/33/78/86/1197337886.db2.gz HVXALXBUZANPKN-GBESFXJTSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000536544462 1197356716 /nfs/dbraw/zinc/35/67/16/1197356716.db2.gz IQWFVEUKAFHFNT-NVXWUHKLSA-N 2 2 377.537 0.654 20 0 GCADLP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000126306981 1197357382 /nfs/dbraw/zinc/35/73/82/1197357382.db2.gz ABDHIBJNPUMIHN-LJQANCHMSA-N 2 2 388.512 0.545 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000625869742 1197358613 /nfs/dbraw/zinc/35/86/13/1197358613.db2.gz GBYVUOBLFPHPAL-HNNXBMFYSA-N 2 2 386.460 0.674 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(-n4cnnn4)cc3)CC2)CC1 ZINC000050798917 1197381178 /nfs/dbraw/zinc/38/11/78/1197381178.db2.gz PMOCFEFOXLAWOL-UHFFFAOYSA-N 2 2 383.500 0.880 20 0 GCADLP CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801272 1197381286 /nfs/dbraw/zinc/38/12/86/1197381286.db2.gz UOORXNDCMXBEEQ-UHFFFAOYSA-N 2 2 394.541 0.883 20 0 GCADLP C[NH+](C)[C@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000105212441 1197386060 /nfs/dbraw/zinc/38/60/60/1197386060.db2.gz AATALGIWKSRHDC-KRWDZBQOSA-N 2 2 388.516 0.856 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000245878003 1197436066 /nfs/dbraw/zinc/43/60/66/1197436066.db2.gz ATUOFLOQDFCJAG-ZWKOTPCHSA-N 2 2 387.532 0.724 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000245878003 1197436068 /nfs/dbraw/zinc/43/60/68/1197436068.db2.gz ATUOFLOQDFCJAG-ZWKOTPCHSA-N 2 2 387.532 0.724 20 0 GCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245941175 1197440307 /nfs/dbraw/zinc/44/03/07/1197440307.db2.gz UWGLOCDISNDNOG-ROUUACIJSA-N 2 2 380.533 0.642 20 0 GCADLP C[N@H+](CCN1CC[NH+](CCN2CCCS2(=O)=O)CC1)Cc1ccccc1 ZINC000533325772 1197445012 /nfs/dbraw/zinc/44/50/12/1197445012.db2.gz PHGNOERBHVPHKC-UHFFFAOYSA-N 2 2 380.558 0.772 20 0 GCADLP C[N@@H+](CCN1CC[NH+](CCN2CCCS2(=O)=O)CC1)Cc1ccccc1 ZINC000533325772 1197445014 /nfs/dbraw/zinc/44/50/14/1197445014.db2.gz PHGNOERBHVPHKC-UHFFFAOYSA-N 2 2 380.558 0.772 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC3CCOCC3)CC2)CC1 ZINC000066568364 1197467582 /nfs/dbraw/zinc/46/75/82/1197467582.db2.gz RKUJNEJUCBBMSC-UHFFFAOYSA-N 2 2 380.533 0.548 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1=O ZINC000246434529 1197470017 /nfs/dbraw/zinc/47/00/17/1197470017.db2.gz NEBWWKSCUOWQIZ-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1=O ZINC000246434529 1197470019 /nfs/dbraw/zinc/47/00/19/1197470019.db2.gz NEBWWKSCUOWQIZ-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC000246434529 1197470020 /nfs/dbraw/zinc/47/00/20/1197470020.db2.gz NEBWWKSCUOWQIZ-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC000246434529 1197470022 /nfs/dbraw/zinc/47/00/22/1197470022.db2.gz NEBWWKSCUOWQIZ-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000246450268 1197470509 /nfs/dbraw/zinc/47/05/09/1197470509.db2.gz ORHSJYTUIIYHNT-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000246450268 1197470511 /nfs/dbraw/zinc/47/05/11/1197470511.db2.gz ORHSJYTUIIYHNT-IRXDYDNUSA-N 2 2 380.533 0.546 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000246689794 1197473267 /nfs/dbraw/zinc/47/32/67/1197473267.db2.gz BMMWYAGHBZYIEG-OTWHNJEPSA-N 2 2 392.544 0.642 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000246689794 1197473268 /nfs/dbraw/zinc/47/32/68/1197473268.db2.gz BMMWYAGHBZYIEG-OTWHNJEPSA-N 2 2 392.544 0.642 20 0 GCADLP CCC[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212006023 1197473271 /nfs/dbraw/zinc/47/32/71/1197473271.db2.gz VRGNFMJZTSPSRA-HNNXBMFYSA-N 2 2 397.439 0.955 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000246733806 1197474328 /nfs/dbraw/zinc/47/43/28/1197474328.db2.gz OTYGDXSLTIXDFE-DOTOQJQBSA-N 2 2 399.499 0.513 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000246733806 1197474329 /nfs/dbraw/zinc/47/43/29/1197474329.db2.gz OTYGDXSLTIXDFE-DOTOQJQBSA-N 2 2 399.499 0.513 20 0 GCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000247320802 1197475542 /nfs/dbraw/zinc/47/55/42/1197475542.db2.gz GIWNEZJBQZLFKJ-OTWHNJEPSA-N 2 2 376.501 0.499 20 0 GCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000247320802 1197475545 /nfs/dbraw/zinc/47/55/45/1197475545.db2.gz GIWNEZJBQZLFKJ-OTWHNJEPSA-N 2 2 376.501 0.499 20 0 GCADLP C[NH+]1CCO[C@H](CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000247320802 1197475547 /nfs/dbraw/zinc/47/55/47/1197475547.db2.gz GIWNEZJBQZLFKJ-OTWHNJEPSA-N 2 2 376.501 0.499 20 0 GCADLP C[NH+]1CCO[C@H](CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000247320802 1197475549 /nfs/dbraw/zinc/47/55/49/1197475549.db2.gz GIWNEZJBQZLFKJ-OTWHNJEPSA-N 2 2 376.501 0.499 20 0 GCADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000247911630 1197477637 /nfs/dbraw/zinc/47/76/37/1197477637.db2.gz AJABIKWWGVTVRG-BJLQDIEVSA-N 2 2 376.501 0.814 20 0 GCADLP C[N@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000247911630 1197477639 /nfs/dbraw/zinc/47/76/39/1197477639.db2.gz AJABIKWWGVTVRG-BJLQDIEVSA-N 2 2 376.501 0.814 20 0 GCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000261688937 1197511660 /nfs/dbraw/zinc/51/16/60/1197511660.db2.gz DVKKVDVIQCSEAQ-KRWDZBQOSA-N 2 2 388.541 0.772 20 0 GCADLP CS(=O)(=O)C1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000262027357 1197522743 /nfs/dbraw/zinc/52/27/43/1197522743.db2.gz BCKCNUPPSOUGSD-QGZVFWFLSA-N 2 2 379.526 0.934 20 0 GCADLP CS(=O)(=O)C1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000262027357 1197522748 /nfs/dbraw/zinc/52/27/48/1197522748.db2.gz BCKCNUPPSOUGSD-QGZVFWFLSA-N 2 2 379.526 0.934 20 0 GCADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000262046633 1197523603 /nfs/dbraw/zinc/52/36/03/1197523603.db2.gz ZBZOSJVSWLTZFJ-INIZCTEOSA-N 2 2 377.489 0.459 20 0 GCADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000262046633 1197523606 /nfs/dbraw/zinc/52/36/06/1197523606.db2.gz ZBZOSJVSWLTZFJ-INIZCTEOSA-N 2 2 377.489 0.459 20 0 GCADLP CC(C)[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262563406 1197535079 /nfs/dbraw/zinc/53/50/79/1197535079.db2.gz ZGCMWSCMQKIIDG-MTNOOBJLSA-N 2 2 380.533 0.543 20 0 GCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533867515 1197574395 /nfs/dbraw/zinc/57/43/95/1197574395.db2.gz VCFRRDCMWYSSGF-OAHLLOKOSA-N 2 2 391.497 0.216 20 0 GCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533867515 1197574399 /nfs/dbraw/zinc/57/43/99/1197574399.db2.gz VCFRRDCMWYSSGF-OAHLLOKOSA-N 2 2 391.497 0.216 20 0 GCADLP C[C@H](NC(=O)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000672008575 1199000461 /nfs/dbraw/zinc/00/04/61/1199000461.db2.gz KLDDFTFYUBNUPP-MAUKXSAKSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@H](NC(=O)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000672008575 1199000467 /nfs/dbraw/zinc/00/04/67/1199000467.db2.gz KLDDFTFYUBNUPP-MAUKXSAKSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000672008573 1199000791 /nfs/dbraw/zinc/00/07/91/1199000791.db2.gz KLDDFTFYUBNUPP-CRAIPNDOSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000672008573 1199000793 /nfs/dbraw/zinc/00/07/93/1199000793.db2.gz KLDDFTFYUBNUPP-CRAIPNDOSA-N 2 2 380.533 0.402 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010153 1199002886 /nfs/dbraw/zinc/00/28/86/1199002886.db2.gz UITUJQSKQAFGSL-LPHOPBHVSA-N 3 2 393.576 0.460 20 0 GCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010153 1199002887 /nfs/dbraw/zinc/00/28/87/1199002887.db2.gz UITUJQSKQAFGSL-LPHOPBHVSA-N 3 2 393.576 0.460 20 0 GCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)cn1 ZINC001083795047 1199008689 /nfs/dbraw/zinc/00/86/89/1199008689.db2.gz CNZPLTBSZVNHBQ-WCIQWLHISA-N 2 2 383.496 0.427 20 0 GCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)cn1 ZINC001083795047 1199008692 /nfs/dbraw/zinc/00/86/92/1199008692.db2.gz CNZPLTBSZVNHBQ-WCIQWLHISA-N 2 2 383.496 0.427 20 0 GCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)cn1 ZINC001083795047 1199008696 /nfs/dbraw/zinc/00/86/96/1199008696.db2.gz CNZPLTBSZVNHBQ-WCIQWLHISA-N 2 2 383.496 0.427 20 0 GCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H](O)C2)cn1 ZINC001083795047 1199008698 /nfs/dbraw/zinc/00/86/98/1199008698.db2.gz CNZPLTBSZVNHBQ-WCIQWLHISA-N 2 2 383.496 0.427 20 0 GCADLP Cc1ccc([C@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000465803736 1199071388 /nfs/dbraw/zinc/07/13/88/1199071388.db2.gz DFVYOWACUOACPP-ICSRJNTNSA-N 2 2 378.517 0.980 20 0 GCADLP Cc1ccc([C@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000465803735 1199071559 /nfs/dbraw/zinc/07/15/59/1199071559.db2.gz DFVYOWACUOACPP-AZUAARDMSA-N 2 2 378.517 0.980 20 0 GCADLP CC[N@H+](CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099842 1199088861 /nfs/dbraw/zinc/08/88/61/1199088861.db2.gz YWVLJNDRENYBRP-SFHVURJKSA-N 3 2 379.549 0.214 20 0 GCADLP CC[N@@H+](CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099842 1199088866 /nfs/dbraw/zinc/08/88/66/1199088866.db2.gz YWVLJNDRENYBRP-SFHVURJKSA-N 3 2 379.549 0.214 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099842 1199088868 /nfs/dbraw/zinc/08/88/68/1199088868.db2.gz YWVLJNDRENYBRP-SFHVURJKSA-N 3 2 379.549 0.214 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099842 1199088875 /nfs/dbraw/zinc/08/88/75/1199088875.db2.gz YWVLJNDRENYBRP-SFHVURJKSA-N 3 2 379.549 0.214 20 0 GCADLP CC[N@H+](CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099841 1199089098 /nfs/dbraw/zinc/08/90/98/1199089098.db2.gz YWVLJNDRENYBRP-GOSISDBHSA-N 3 2 379.549 0.214 20 0 GCADLP CC[N@@H+](CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099841 1199089101 /nfs/dbraw/zinc/08/91/01/1199089101.db2.gz YWVLJNDRENYBRP-GOSISDBHSA-N 3 2 379.549 0.214 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099841 1199089103 /nfs/dbraw/zinc/08/91/03/1199089103.db2.gz YWVLJNDRENYBRP-GOSISDBHSA-N 3 2 379.549 0.214 20 0 GCADLP CC[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099841 1199089108 /nfs/dbraw/zinc/08/91/08/1199089108.db2.gz YWVLJNDRENYBRP-GOSISDBHSA-N 3 2 379.549 0.214 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000656075227 1199090591 /nfs/dbraw/zinc/09/05/91/1199090591.db2.gz FQFUNJOLYWMRFF-UHFFFAOYSA-N 2 2 380.533 0.642 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000656086245 1199098133 /nfs/dbraw/zinc/09/81/33/1199098133.db2.gz TURMLPLMGQWZLL-UHFFFAOYSA-N 2 2 382.549 0.888 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCOCc3ccccc3)C2)CC1 ZINC000672162665 1199148359 /nfs/dbraw/zinc/14/83/59/1199148359.db2.gz ZFNJVNJVHFPSGF-SFHVURJKSA-N 2 2 388.512 0.604 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCOCc3ccccc3)C2)CC1 ZINC000672162665 1199148363 /nfs/dbraw/zinc/14/83/63/1199148363.db2.gz ZFNJVNJVHFPSGF-SFHVURJKSA-N 2 2 388.512 0.604 20 0 GCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672164257 1199150271 /nfs/dbraw/zinc/15/02/71/1199150271.db2.gz YVGSQLVGEBHBMN-IBGZPJMESA-N 2 2 388.512 0.558 20 0 GCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672164257 1199150274 /nfs/dbraw/zinc/15/02/74/1199150274.db2.gz YVGSQLVGEBHBMN-IBGZPJMESA-N 2 2 388.512 0.558 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000123312016 1199151372 /nfs/dbraw/zinc/15/13/72/1199151372.db2.gz NNXUZCCAQXRXRO-UHFFFAOYSA-N 2 2 387.532 0.868 20 0 GCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000672166243 1199151702 /nfs/dbraw/zinc/15/17/02/1199151702.db2.gz VUFXWXLCQVVYNV-KRWDZBQOSA-N 2 2 377.489 0.664 20 0 GCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000465894867 1199156683 /nfs/dbraw/zinc/15/66/83/1199156683.db2.gz BMTZAJDZMWOKRN-RTBURBONSA-N 3 2 382.597 0.680 20 0 GCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000465894867 1199156685 /nfs/dbraw/zinc/15/66/85/1199156685.db2.gz BMTZAJDZMWOKRN-RTBURBONSA-N 3 2 382.597 0.680 20 0 GCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672203827 1199158144 /nfs/dbraw/zinc/15/81/44/1199158144.db2.gz NVRSNGMHZNYNCJ-RBUKOAKNSA-N 3 2 393.576 0.604 20 0 GCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672203827 1199158146 /nfs/dbraw/zinc/15/81/46/1199158146.db2.gz NVRSNGMHZNYNCJ-RBUKOAKNSA-N 3 2 393.576 0.604 20 0 GCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672203827 1199158149 /nfs/dbraw/zinc/15/81/49/1199158149.db2.gz NVRSNGMHZNYNCJ-RBUKOAKNSA-N 3 2 393.576 0.604 20 0 GCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672203827 1199158151 /nfs/dbraw/zinc/15/81/51/1199158151.db2.gz NVRSNGMHZNYNCJ-RBUKOAKNSA-N 3 2 393.576 0.604 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000672278695 1199186633 /nfs/dbraw/zinc/18/66/33/1199186633.db2.gz HZOXUWWVGPHIBX-KBAYOESNSA-N 2 2 380.533 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000672278695 1199186637 /nfs/dbraw/zinc/18/66/37/1199186637.db2.gz HZOXUWWVGPHIBX-KBAYOESNSA-N 2 2 380.533 0.687 20 0 GCADLP Cc1ccc(N2CCC(NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)[nH+]c1 ZINC000465955539 1199225139 /nfs/dbraw/zinc/22/51/39/1199225139.db2.gz NKIQVPXNNWWYSM-KRWDZBQOSA-N 2 2 388.516 0.998 20 0 GCADLP Cc1ccc(N2CCC(NC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)[nH+]c1 ZINC000465955539 1199225142 /nfs/dbraw/zinc/22/51/42/1199225142.db2.gz NKIQVPXNNWWYSM-KRWDZBQOSA-N 2 2 388.516 0.998 20 0 GCADLP CCc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672550201 1199267533 /nfs/dbraw/zinc/26/75/33/1199267533.db2.gz NAJJLNYNTLHDNR-INIZCTEOSA-N 2 2 377.489 0.480 20 0 GCADLP CCc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672550201 1199267542 /nfs/dbraw/zinc/26/75/42/1199267542.db2.gz NAJJLNYNTLHDNR-INIZCTEOSA-N 2 2 377.489 0.480 20 0 GCADLP CCc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672550202 1199267724 /nfs/dbraw/zinc/26/77/24/1199267724.db2.gz NAJJLNYNTLHDNR-MRXNPFEDSA-N 2 2 377.489 0.480 20 0 GCADLP CCc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672550202 1199267728 /nfs/dbraw/zinc/26/77/28/1199267728.db2.gz NAJJLNYNTLHDNR-MRXNPFEDSA-N 2 2 377.489 0.480 20 0 GCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672598517 1199279211 /nfs/dbraw/zinc/27/92/11/1199279211.db2.gz ZYAIAGRNUVNRCS-KZNAEPCWSA-N 2 2 380.533 0.737 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638395 1199288725 /nfs/dbraw/zinc/28/87/25/1199288725.db2.gz GOBFMRUIUUBESA-IEBWSBKVSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638395 1199288727 /nfs/dbraw/zinc/28/87/27/1199288727.db2.gz GOBFMRUIUUBESA-IEBWSBKVSA-N 3 2 391.560 0.358 20 0 GCADLP COc1cccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672638494 1199288755 /nfs/dbraw/zinc/28/87/55/1199288755.db2.gz QZPGWJKWSCFFDH-KRWDZBQOSA-N 2 2 388.512 0.938 20 0 GCADLP COc1cccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672638494 1199288759 /nfs/dbraw/zinc/28/87/59/1199288759.db2.gz QZPGWJKWSCFFDH-KRWDZBQOSA-N 2 2 388.512 0.938 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638397 1199289069 /nfs/dbraw/zinc/28/90/69/1199289069.db2.gz GOBFMRUIUUBESA-PKOBYXMFSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638397 1199289072 /nfs/dbraw/zinc/28/90/72/1199289072.db2.gz GOBFMRUIUUBESA-PKOBYXMFSA-N 3 2 391.560 0.358 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638644 1199290768 /nfs/dbraw/zinc/29/07/68/1199290768.db2.gz GEEFLIURIGZHEI-ROUUACIJSA-N 3 2 393.576 0.509 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638644 1199290773 /nfs/dbraw/zinc/29/07/73/1199290773.db2.gz GEEFLIURIGZHEI-ROUUACIJSA-N 3 2 393.576 0.509 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638230 1199291454 /nfs/dbraw/zinc/29/14/54/1199291454.db2.gz RBDGFKPQBPTDSG-ZWKOTPCHSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638230 1199291459 /nfs/dbraw/zinc/29/14/59/1199291459.db2.gz RBDGFKPQBPTDSG-ZWKOTPCHSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638230 1199291464 /nfs/dbraw/zinc/29/14/64/1199291464.db2.gz RBDGFKPQBPTDSG-ZWKOTPCHSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638230 1199291469 /nfs/dbraw/zinc/29/14/69/1199291469.db2.gz RBDGFKPQBPTDSG-ZWKOTPCHSA-N 3 2 393.576 0.652 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3nc(C4CC4)cs3)C2)CC1 ZINC000672639564 1199292136 /nfs/dbraw/zinc/29/21/36/1199292136.db2.gz QQOMPCRNRPZJML-CQSZACIVSA-N 2 2 391.541 0.921 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3nc(C4CC4)cs3)C2)CC1 ZINC000672639564 1199292140 /nfs/dbraw/zinc/29/21/40/1199292140.db2.gz QQOMPCRNRPZJML-CQSZACIVSA-N 2 2 391.541 0.921 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638646 1199292155 /nfs/dbraw/zinc/29/21/55/1199292155.db2.gz GEEFLIURIGZHEI-ZWKOTPCHSA-N 3 2 393.576 0.509 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638646 1199292161 /nfs/dbraw/zinc/29/21/61/1199292161.db2.gz GEEFLIURIGZHEI-ZWKOTPCHSA-N 3 2 393.576 0.509 20 0 GCADLP CCc1noc(CC)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639096 1199293136 /nfs/dbraw/zinc/29/31/36/1199293136.db2.gz YVKPFGUVYQEHOU-AWEZNQCLSA-N 2 2 391.516 0.700 20 0 GCADLP CCc1noc(CC)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639096 1199293139 /nfs/dbraw/zinc/29/31/39/1199293139.db2.gz YVKPFGUVYQEHOU-AWEZNQCLSA-N 2 2 391.516 0.700 20 0 GCADLP CN(C)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672639181 1199293736 /nfs/dbraw/zinc/29/37/36/1199293736.db2.gz IRQDDSGINKJXJA-INIZCTEOSA-N 2 2 388.516 0.049 20 0 GCADLP CN(C)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672639181 1199293744 /nfs/dbraw/zinc/29/37/44/1199293744.db2.gz IRQDDSGINKJXJA-INIZCTEOSA-N 2 2 388.516 0.049 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(C[C@H]3CCOC3)C3CC3)C2)CC1 ZINC000672638869 1199294263 /nfs/dbraw/zinc/29/42/63/1199294263.db2.gz ZPFMXNRJIJBYEY-HZPDHXFCSA-N 2 2 378.517 0.299 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(C[C@H]3CCOC3)C3CC3)C2)CC1 ZINC000672638869 1199294266 /nfs/dbraw/zinc/29/42/66/1199294266.db2.gz ZPFMXNRJIJBYEY-HZPDHXFCSA-N 2 2 378.517 0.299 20 0 GCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640209 1199295229 /nfs/dbraw/zinc/29/52/29/1199295229.db2.gz XHBDRGUPXDJMGT-ROUUACIJSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640209 1199295233 /nfs/dbraw/zinc/29/52/33/1199295233.db2.gz XHBDRGUPXDJMGT-ROUUACIJSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640209 1199295237 /nfs/dbraw/zinc/29/52/37/1199295237.db2.gz XHBDRGUPXDJMGT-ROUUACIJSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640209 1199295240 /nfs/dbraw/zinc/29/52/40/1199295240.db2.gz XHBDRGUPXDJMGT-ROUUACIJSA-N 3 2 393.576 0.461 20 0 GCADLP Cc1nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000672639968 1199295297 /nfs/dbraw/zinc/29/52/97/1199295297.db2.gz PUAZBZMXRBDJAQ-CQSZACIVSA-N 2 2 379.530 0.661 20 0 GCADLP Cc1nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000672639968 1199295302 /nfs/dbraw/zinc/29/53/02/1199295302.db2.gz PUAZBZMXRBDJAQ-CQSZACIVSA-N 2 2 379.530 0.661 20 0 GCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672639982 1199296097 /nfs/dbraw/zinc/29/60/97/1199296097.db2.gz QNGOXGDOOBQMNR-IXDOHACOSA-N 2 2 379.549 0.212 20 0 GCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672639982 1199296099 /nfs/dbraw/zinc/29/60/99/1199296099.db2.gz QNGOXGDOOBQMNR-IXDOHACOSA-N 2 2 379.549 0.212 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641014 1199297383 /nfs/dbraw/zinc/29/73/83/1199297383.db2.gz JUPMTSRJVFNUKW-HOTGVXAUSA-N 3 2 381.565 0.364 20 0 GCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641014 1199297386 /nfs/dbraw/zinc/29/73/86/1199297386.db2.gz JUPMTSRJVFNUKW-HOTGVXAUSA-N 3 2 381.565 0.364 20 0 GCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640960 1199297430 /nfs/dbraw/zinc/29/74/30/1199297430.db2.gz HPQOGHXPGSIGNW-QGZVFWFLSA-N 3 2 379.549 0.215 20 0 GCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640960 1199297434 /nfs/dbraw/zinc/29/74/34/1199297434.db2.gz HPQOGHXPGSIGNW-QGZVFWFLSA-N 3 2 379.549 0.215 20 0 GCADLP CC(C)c1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672640948 1199297887 /nfs/dbraw/zinc/29/78/87/1199297887.db2.gz MMVKWSNVZOCXER-AWEZNQCLSA-N 2 2 377.489 0.699 20 0 GCADLP CC(C)c1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672640948 1199297888 /nfs/dbraw/zinc/29/78/88/1199297888.db2.gz MMVKWSNVZOCXER-AWEZNQCLSA-N 2 2 377.489 0.699 20 0 GCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641399 1199298044 /nfs/dbraw/zinc/29/80/44/1199298044.db2.gz QVAHPHFBEOFLQM-GOSISDBHSA-N 3 2 393.576 0.606 20 0 GCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641399 1199298048 /nfs/dbraw/zinc/29/80/48/1199298048.db2.gz QVAHPHFBEOFLQM-GOSISDBHSA-N 3 2 393.576 0.606 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641015 1199298528 /nfs/dbraw/zinc/29/85/28/1199298528.db2.gz JUPMTSRJVFNUKW-HZPDHXFCSA-N 3 2 381.565 0.364 20 0 GCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641015 1199298531 /nfs/dbraw/zinc/29/85/31/1199298531.db2.gz JUPMTSRJVFNUKW-HZPDHXFCSA-N 3 2 381.565 0.364 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641029 1199298863 /nfs/dbraw/zinc/29/88/63/1199298863.db2.gz KDNCJZSXYOZXFK-LNLFQRSKSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641029 1199298865 /nfs/dbraw/zinc/29/88/65/1199298865.db2.gz KDNCJZSXYOZXFK-LNLFQRSKSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641029 1199298870 /nfs/dbraw/zinc/29/88/70/1199298870.db2.gz KDNCJZSXYOZXFK-LNLFQRSKSA-N 3 2 391.560 0.214 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641029 1199298873 /nfs/dbraw/zinc/29/88/73/1199298873.db2.gz KDNCJZSXYOZXFK-LNLFQRSKSA-N 3 2 391.560 0.214 20 0 GCADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)Cc2ccccc21 ZINC000672642348 1199301087 /nfs/dbraw/zinc/30/10/87/1199301087.db2.gz HALAKBWIWYZZPR-GOSISDBHSA-N 2 2 399.539 0.750 20 0 GCADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)Cc2ccccc21 ZINC000672642348 1199301092 /nfs/dbraw/zinc/30/10/92/1199301092.db2.gz HALAKBWIWYZZPR-GOSISDBHSA-N 2 2 399.539 0.750 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642565 1199301286 /nfs/dbraw/zinc/30/12/86/1199301286.db2.gz CQOQSDZSMXSPEP-MJGOQNOKSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642565 1199301288 /nfs/dbraw/zinc/30/12/88/1199301288.db2.gz CQOQSDZSMXSPEP-MJGOQNOKSA-N 3 2 391.560 0.358 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000672643416 1199303830 /nfs/dbraw/zinc/30/38/30/1199303830.db2.gz XNMZHIMLSGHCLQ-OWLYRPNTSA-N 2 2 392.544 0.591 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000672643416 1199303835 /nfs/dbraw/zinc/30/38/35/1199303835.db2.gz XNMZHIMLSGHCLQ-OWLYRPNTSA-N 2 2 392.544 0.591 20 0 GCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641798 1199304078 /nfs/dbraw/zinc/30/40/78/1199304078.db2.gz XKQLQOFDQNIGIG-IAGOWNOFSA-N 3 2 379.549 0.071 20 0 GCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641798 1199304083 /nfs/dbraw/zinc/30/40/83/1199304083.db2.gz XKQLQOFDQNIGIG-IAGOWNOFSA-N 3 2 379.549 0.071 20 0 GCADLP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641798 1199304090 /nfs/dbraw/zinc/30/40/90/1199304090.db2.gz XKQLQOFDQNIGIG-IAGOWNOFSA-N 3 2 379.549 0.071 20 0 GCADLP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641798 1199304095 /nfs/dbraw/zinc/30/40/95/1199304095.db2.gz XKQLQOFDQNIGIG-IAGOWNOFSA-N 3 2 379.549 0.071 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)C2)CC1 ZINC000672643225 1199304407 /nfs/dbraw/zinc/30/44/07/1199304407.db2.gz VDMMGPMWTLHOCT-QMCVQRASSA-N 2 2 378.517 0.201 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)C2)CC1 ZINC000672643225 1199304413 /nfs/dbraw/zinc/30/44/13/1199304413.db2.gz VDMMGPMWTLHOCT-QMCVQRASSA-N 2 2 378.517 0.201 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643007 1199305021 /nfs/dbraw/zinc/30/50/21/1199305021.db2.gz MLHWMPUOEILGLU-PMPSAXMXSA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643007 1199305023 /nfs/dbraw/zinc/30/50/23/1199305023.db2.gz MLHWMPUOEILGLU-PMPSAXMXSA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000672643007 1199305028 /nfs/dbraw/zinc/30/50/28/1199305028.db2.gz MLHWMPUOEILGLU-PMPSAXMXSA-N 3 2 377.533 0.013 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000672643007 1199305031 /nfs/dbraw/zinc/30/50/31/1199305031.db2.gz MLHWMPUOEILGLU-PMPSAXMXSA-N 3 2 377.533 0.013 20 0 GCADLP Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642705 1199305268 /nfs/dbraw/zinc/30/52/68/1199305268.db2.gz FGDJJRPCUKOXAK-CJNGLKHVSA-N 2 2 391.516 0.623 20 0 GCADLP Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642705 1199305274 /nfs/dbraw/zinc/30/52/74/1199305274.db2.gz FGDJJRPCUKOXAK-CJNGLKHVSA-N 2 2 391.516 0.623 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001002835638 1199307649 /nfs/dbraw/zinc/30/76/49/1199307649.db2.gz QUNBWZTUTMNAGQ-AHCXZYCDSA-N 2 2 382.468 0.899 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001002835633 1199308043 /nfs/dbraw/zinc/30/80/43/1199308043.db2.gz QQYIEXGCKKZMMM-AHCXZYCDSA-N 2 2 382.468 0.899 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672655320 1199310109 /nfs/dbraw/zinc/31/01/09/1199310109.db2.gz KUZYYNZWDSOZQE-MSOLQXFVSA-N 2 2 380.533 0.690 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672655320 1199310113 /nfs/dbraw/zinc/31/01/13/1199310113.db2.gz KUZYYNZWDSOZQE-MSOLQXFVSA-N 2 2 380.533 0.690 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672677228 1199314823 /nfs/dbraw/zinc/31/48/23/1199314823.db2.gz OXVBDDXHUIMPRN-NVXWUHKLSA-N 2 2 388.516 0.010 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672677228 1199314825 /nfs/dbraw/zinc/31/48/25/1199314825.db2.gz OXVBDDXHUIMPRN-NVXWUHKLSA-N 2 2 388.516 0.010 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672677229 1199315049 /nfs/dbraw/zinc/31/50/49/1199315049.db2.gz OXVBDDXHUIMPRN-RDJZCZTQSA-N 2 2 388.516 0.010 20 0 GCADLP CN(C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672677229 1199315054 /nfs/dbraw/zinc/31/50/54/1199315054.db2.gz OXVBDDXHUIMPRN-RDJZCZTQSA-N 2 2 388.516 0.010 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672771956 1199331693 /nfs/dbraw/zinc/33/16/93/1199331693.db2.gz DEKYWHZRNPRIMG-UHFFFAOYSA-N 2 2 390.532 0.432 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672771956 1199331701 /nfs/dbraw/zinc/33/17/01/1199331701.db2.gz DEKYWHZRNPRIMG-UHFFFAOYSA-N 2 2 390.532 0.432 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672869732 1199355754 /nfs/dbraw/zinc/35/57/54/1199355754.db2.gz DXAJANAYGBGELG-NVXWUHKLSA-N 2 2 380.533 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672869732 1199355758 /nfs/dbraw/zinc/35/57/58/1199355758.db2.gz DXAJANAYGBGELG-NVXWUHKLSA-N 2 2 380.533 0.687 20 0 GCADLP C[NH+]1CCC(NC(=O)[C@H]2CCSC23CN(C(=O)Cc2c[nH+]c[nH]2)C3)CC1 ZINC001272970700 1199373052 /nfs/dbraw/zinc/37/30/52/1199373052.db2.gz KEKJEAFYQVSYFZ-OAHLLOKOSA-N 2 2 377.514 0.497 20 0 GCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC2)C1 ZINC000672957139 1199377410 /nfs/dbraw/zinc/37/74/10/1199377410.db2.gz ZNDRAOMQOIJRRK-QGZVFWFLSA-N 2 2 384.484 0.189 20 0 GCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC2)C1 ZINC000672957139 1199377417 /nfs/dbraw/zinc/37/74/17/1199377417.db2.gz ZNDRAOMQOIJRRK-QGZVFWFLSA-N 2 2 384.484 0.189 20 0 GCADLP CN(C(=O)C(=O)NCC[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673113514 1199430141 /nfs/dbraw/zinc/43/01/41/1199430141.db2.gz XMHHLRYISDIDIH-MSOLQXFVSA-N 2 2 380.533 0.689 20 0 GCADLP CN(C(=O)C(=O)NCC[C@@H]1CCCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673113514 1199430144 /nfs/dbraw/zinc/43/01/44/1199430144.db2.gz XMHHLRYISDIDIH-MSOLQXFVSA-N 2 2 380.533 0.689 20 0 GCADLP O=C(N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)[C@@H]1CCS(=O)(=O)N1 ZINC001272982339 1199459482 /nfs/dbraw/zinc/45/94/82/1199459482.db2.gz QPWITKLBQRCZEJ-UAGQMJEPSA-N 2 2 381.502 0.126 20 0 GCADLP COC(C)(C)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673221519 1199486764 /nfs/dbraw/zinc/48/67/64/1199486764.db2.gz PMGOFPVLERVOTO-RDJZCZTQSA-N 2 2 382.549 0.933 20 0 GCADLP COC(C)(C)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673221519 1199486766 /nfs/dbraw/zinc/48/67/66/1199486766.db2.gz PMGOFPVLERVOTO-RDJZCZTQSA-N 2 2 382.549 0.933 20 0 GCADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673287224 1199517986 /nfs/dbraw/zinc/51/79/86/1199517986.db2.gz WXSWPBKFUCCRKG-LJQANCHMSA-N 2 2 388.512 0.859 20 0 GCADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673287224 1199517989 /nfs/dbraw/zinc/51/79/89/1199517989.db2.gz WXSWPBKFUCCRKG-LJQANCHMSA-N 2 2 388.512 0.859 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CCCO1 ZINC000673287264 1199518983 /nfs/dbraw/zinc/51/89/83/1199518983.db2.gz XINBZZDEKRLMTD-VQIMIIECSA-N 2 2 388.512 0.906 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CCCO1 ZINC000673287264 1199518988 /nfs/dbraw/zinc/51/89/88/1199518988.db2.gz XINBZZDEKRLMTD-VQIMIIECSA-N 2 2 388.512 0.906 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCCO1 ZINC000673287264 1199518995 /nfs/dbraw/zinc/51/89/95/1199518995.db2.gz XINBZZDEKRLMTD-VQIMIIECSA-N 2 2 388.512 0.906 20 0 GCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCCO1 ZINC000673287264 1199518999 /nfs/dbraw/zinc/51/89/99/1199518999.db2.gz XINBZZDEKRLMTD-VQIMIIECSA-N 2 2 388.512 0.906 20 0 GCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673288311 1199519029 /nfs/dbraw/zinc/51/90/29/1199519029.db2.gz JUUYJCGKRFBMPI-MJGOQNOKSA-N 2 2 388.512 0.859 20 0 GCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CCCO1 ZINC000673287262 1199519482 /nfs/dbraw/zinc/51/94/82/1199519482.db2.gz XINBZZDEKRLMTD-LPHOPBHVSA-N 2 2 388.512 0.906 20 0 GCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CCCO1 ZINC000673287262 1199519488 /nfs/dbraw/zinc/51/94/88/1199519488.db2.gz XINBZZDEKRLMTD-LPHOPBHVSA-N 2 2 388.512 0.906 20 0 GCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCCO1 ZINC000673287262 1199519494 /nfs/dbraw/zinc/51/94/94/1199519494.db2.gz XINBZZDEKRLMTD-LPHOPBHVSA-N 2 2 388.512 0.906 20 0 GCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCCO1 ZINC000673287262 1199519499 /nfs/dbraw/zinc/51/94/99/1199519499.db2.gz XINBZZDEKRLMTD-LPHOPBHVSA-N 2 2 388.512 0.906 20 0 GCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673288309 1199519663 /nfs/dbraw/zinc/51/96/63/1199519663.db2.gz JUUYJCGKRFBMPI-HKUYNNGSSA-N 2 2 388.512 0.859 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673284430 1199520971 /nfs/dbraw/zinc/52/09/71/1199520971.db2.gz XEGHCSUHSGJMNR-QFBILLFUSA-N 2 2 386.496 0.470 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673284430 1199520980 /nfs/dbraw/zinc/52/09/80/1199520980.db2.gz XEGHCSUHSGJMNR-QFBILLFUSA-N 2 2 386.496 0.470 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCO1 ZINC000673301673 1199527988 /nfs/dbraw/zinc/52/79/88/1199527988.db2.gz GSZZXSSWEJCUHX-IAGOWNOFSA-N 2 2 389.500 0.394 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCO1 ZINC000673301673 1199527991 /nfs/dbraw/zinc/52/79/91/1199527991.db2.gz GSZZXSSWEJCUHX-IAGOWNOFSA-N 2 2 389.500 0.394 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000466206080 1199551849 /nfs/dbraw/zinc/55/18/49/1199551849.db2.gz VHPDFQGPXQQXDW-UHFFFAOYSA-N 2 2 391.516 0.718 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000466206080 1199551852 /nfs/dbraw/zinc/55/18/52/1199551852.db2.gz VHPDFQGPXQQXDW-UHFFFAOYSA-N 2 2 391.516 0.718 20 0 GCADLP COCCC(C)(C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673408051 1199599239 /nfs/dbraw/zinc/59/92/39/1199599239.db2.gz NKRHKGFPCJERJK-KRWDZBQOSA-N 2 2 382.549 0.792 20 0 GCADLP COCCC(C)(C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673408051 1199599243 /nfs/dbraw/zinc/59/92/43/1199599243.db2.gz NKRHKGFPCJERJK-KRWDZBQOSA-N 2 2 382.549 0.792 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001003645191 1199609320 /nfs/dbraw/zinc/60/93/20/1199609320.db2.gz KGRSMZLTWJQAHW-AHCXZYCDSA-N 2 2 382.468 0.899 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCO1 ZINC000673428101 1199630468 /nfs/dbraw/zinc/63/04/68/1199630468.db2.gz XAZNMQVQNANDBI-SJORKVTESA-N 2 2 377.489 0.664 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCO1 ZINC000673428101 1199630474 /nfs/dbraw/zinc/63/04/74/1199630474.db2.gz XAZNMQVQNANDBI-SJORKVTESA-N 2 2 377.489 0.664 20 0 GCADLP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673469358 1199685638 /nfs/dbraw/zinc/68/56/38/1199685638.db2.gz GUFOWMNYVHZVJX-QRQLOZEOSA-N 2 2 394.560 0.933 20 0 GCADLP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673469358 1199685641 /nfs/dbraw/zinc/68/56/41/1199685641.db2.gz GUFOWMNYVHZVJX-QRQLOZEOSA-N 2 2 394.560 0.933 20 0 GCADLP CC(C)[N@@H+]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000069777132 1199731777 /nfs/dbraw/zinc/73/17/77/1199731777.db2.gz QAGYVZJKEGOAFY-UHFFFAOYSA-N 2 2 375.521 0.724 20 0 GCADLP CC(C)[N@H+]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000069777132 1199731784 /nfs/dbraw/zinc/73/17/84/1199731784.db2.gz QAGYVZJKEGOAFY-UHFFFAOYSA-N 2 2 375.521 0.724 20 0 GCADLP COC1(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000428876328 1199810622 /nfs/dbraw/zinc/81/06/22/1199810622.db2.gz KTHKCQNOPRZFGB-UHFFFAOYSA-N 2 2 398.529 0.319 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001004212836 1199816229 /nfs/dbraw/zinc/81/62/29/1199816229.db2.gz NGXJJOSLOJJBQV-OVYGPGRDSA-N 2 2 375.473 0.159 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001004212836 1199816234 /nfs/dbraw/zinc/81/62/34/1199816234.db2.gz NGXJJOSLOJJBQV-OVYGPGRDSA-N 2 2 375.473 0.159 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265873202 1199824968 /nfs/dbraw/zinc/82/49/68/1199824968.db2.gz ZDRDPAUPYXUSNW-LJQANCHMSA-N 2 2 388.512 0.604 20 0 GCADLP CNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265873202 1199824972 /nfs/dbraw/zinc/82/49/72/1199824972.db2.gz ZDRDPAUPYXUSNW-LJQANCHMSA-N 2 2 388.512 0.604 20 0 GCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000922872869 1199887998 /nfs/dbraw/zinc/88/79/98/1199887998.db2.gz OKTFMACFAVZGQO-SFHVURJKSA-N 2 2 397.564 0.193 20 0 GCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000671415321 1199917926 /nfs/dbraw/zinc/91/79/26/1199917926.db2.gz UFVPIOLMEKAACE-ISARSNTHSA-N 2 2 388.512 0.773 20 0 GCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000671415321 1199917928 /nfs/dbraw/zinc/91/79/28/1199917928.db2.gz UFVPIOLMEKAACE-ISARSNTHSA-N 2 2 388.512 0.773 20 0 GCADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000671415321 1199917929 /nfs/dbraw/zinc/91/79/29/1199917929.db2.gz UFVPIOLMEKAACE-ISARSNTHSA-N 2 2 388.512 0.773 20 0 GCADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000671415321 1199917930 /nfs/dbraw/zinc/91/79/30/1199917930.db2.gz UFVPIOLMEKAACE-ISARSNTHSA-N 2 2 388.512 0.773 20 0 GCADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1S(N)(=O)=O ZINC000673652672 1199918304 /nfs/dbraw/zinc/91/83/04/1199918304.db2.gz QEUCCJUIVZPSFN-UHFFFAOYSA-N 2 2 394.541 0.931 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668758 1199925858 /nfs/dbraw/zinc/92/58/58/1199925858.db2.gz IWJOLZLDXFKVQK-UGKGYDQZSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668758 1199925859 /nfs/dbraw/zinc/92/58/59/1199925859.db2.gz IWJOLZLDXFKVQK-UGKGYDQZSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668758 1199925861 /nfs/dbraw/zinc/92/58/61/1199925861.db2.gz IWJOLZLDXFKVQK-UGKGYDQZSA-N 3 2 386.540 0.908 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668758 1199925862 /nfs/dbraw/zinc/92/58/62/1199925862.db2.gz IWJOLZLDXFKVQK-UGKGYDQZSA-N 3 2 386.540 0.908 20 0 GCADLP CCC(O)(CC)CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625468719 1199962989 /nfs/dbraw/zinc/96/29/89/1199962989.db2.gz UBMKXJPUZQQZCC-QGZVFWFLSA-N 2 2 382.549 0.623 20 0 GCADLP CCC(O)(CC)CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625468719 1199962992 /nfs/dbraw/zinc/96/29/92/1199962992.db2.gz UBMKXJPUZQQZCC-QGZVFWFLSA-N 2 2 382.549 0.623 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673872755 1199963550 /nfs/dbraw/zinc/96/35/50/1199963550.db2.gz YLTPAHBZUNWIDV-UHFFFAOYSA-N 2 2 385.472 0.964 20 0 GCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673872073 1199963851 /nfs/dbraw/zinc/96/38/51/1199963851.db2.gz IHKJDSXNXSMZTF-QZTJIDSGSA-N 2 2 392.504 0.278 20 0 GCADLP O=C(CC[NH+]1CCC(N2CCOCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000625554474 1200029707 /nfs/dbraw/zinc/02/97/07/1200029707.db2.gz WSEWLEHFRLVQBM-UHFFFAOYSA-N 2 2 387.528 0.917 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625559449 1200036458 /nfs/dbraw/zinc/03/64/58/1200036458.db2.gz CARVNJRRAPWVEW-HNNXBMFYSA-N 2 2 376.505 0.257 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625559449 1200036473 /nfs/dbraw/zinc/03/64/73/1200036473.db2.gz CARVNJRRAPWVEW-HNNXBMFYSA-N 2 2 376.505 0.257 20 0 GCADLP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133457253 1200079018 /nfs/dbraw/zinc/07/90/18/1200079018.db2.gz HEPXRXFMTJRCOU-QGZVFWFLSA-N 2 2 386.500 0.467 20 0 GCADLP O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133457253 1200079028 /nfs/dbraw/zinc/07/90/28/1200079028.db2.gz HEPXRXFMTJRCOU-QGZVFWFLSA-N 2 2 386.500 0.467 20 0 GCADLP CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000946818543 1200173825 /nfs/dbraw/zinc/17/38/25/1200173825.db2.gz GSGIPGRBDUIXPG-KCYZZUKISA-N 2 2 386.456 0.071 20 0 GCADLP COC1CC[NH+](CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000674328561 1200222287 /nfs/dbraw/zinc/22/22/87/1200222287.db2.gz OLORXBRMVCFQBV-GOSISDBHSA-N 2 2 386.562 0.604 20 0 GCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001005338725 1200260747 /nfs/dbraw/zinc/26/07/47/1200260747.db2.gz PHDNSKZPBSBEMX-WCXIOVBPSA-N 2 2 375.473 0.310 20 0 GCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001005338725 1200260754 /nfs/dbraw/zinc/26/07/54/1200260754.db2.gz PHDNSKZPBSBEMX-WCXIOVBPSA-N 2 2 375.473 0.310 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000670481538 1200310223 /nfs/dbraw/zinc/31/02/23/1200310223.db2.gz RQLXTCSIIXZECA-OAHLLOKOSA-N 3 2 393.576 0.697 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000670481538 1200310230 /nfs/dbraw/zinc/31/02/30/1200310230.db2.gz RQLXTCSIIXZECA-OAHLLOKOSA-N 3 2 393.576 0.697 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005501976 1200323523 /nfs/dbraw/zinc/32/35/23/1200323523.db2.gz OCJSZTPJMSZZEY-IEWDOMPSSA-N 2 2 392.544 0.686 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005501976 1200323530 /nfs/dbraw/zinc/32/35/30/1200323530.db2.gz OCJSZTPJMSZZEY-IEWDOMPSSA-N 2 2 392.544 0.686 20 0 GCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@@H]2C1 ZINC000670526892 1200404458 /nfs/dbraw/zinc/40/44/58/1200404458.db2.gz FGXJZHOEUCDFJT-QZTJIDSGSA-N 2 2 392.544 0.690 20 0 GCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@@H]2C1 ZINC000670526892 1200404463 /nfs/dbraw/zinc/40/44/63/1200404463.db2.gz FGXJZHOEUCDFJT-QZTJIDSGSA-N 2 2 392.544 0.690 20 0 GCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000675709785 1200455161 /nfs/dbraw/zinc/45/51/61/1200455161.db2.gz DFAKZSROJQFFOD-ROUUACIJSA-N 2 2 381.565 0.955 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675819023 1200461578 /nfs/dbraw/zinc/46/15/78/1200461578.db2.gz JTIIZTGFFLXPAI-PKOBYXMFSA-N 2 2 395.573 0.459 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675819023 1200461584 /nfs/dbraw/zinc/46/15/84/1200461584.db2.gz JTIIZTGFFLXPAI-PKOBYXMFSA-N 2 2 395.573 0.459 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOc1cccnc1 ZINC000804078141 1200482771 /nfs/dbraw/zinc/48/27/71/1200482771.db2.gz VHEXMNAPSNNMRU-UHFFFAOYSA-N 2 2 377.489 0.061 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOc1cccnc1 ZINC000804078141 1200482775 /nfs/dbraw/zinc/48/27/75/1200482775.db2.gz VHEXMNAPSNNMRU-UHFFFAOYSA-N 2 2 377.489 0.061 20 0 GCADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243186 1200514929 /nfs/dbraw/zinc/51/49/29/1200514929.db2.gz FFFWUJSQKURJKM-MJGOQNOKSA-N 3 2 390.532 0.612 20 0 GCADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243186 1200514934 /nfs/dbraw/zinc/51/49/34/1200514934.db2.gz FFFWUJSQKURJKM-MJGOQNOKSA-N 3 2 390.532 0.612 20 0 GCADLP O=C(NC1CC1)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000676419551 1200556812 /nfs/dbraw/zinc/55/68/12/1200556812.db2.gz VECXTNIJBQAWJY-LJQANCHMSA-N 2 2 386.496 0.602 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)n1 ZINC000560215913 1200636594 /nfs/dbraw/zinc/63/65/94/1200636594.db2.gz QJNNYMXCGWQDPD-SFHVURJKSA-N 2 2 398.511 0.769 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)n1 ZINC000560215913 1200636604 /nfs/dbraw/zinc/63/66/04/1200636604.db2.gz QJNNYMXCGWQDPD-SFHVURJKSA-N 2 2 398.511 0.769 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000582032367 1200691355 /nfs/dbraw/zinc/69/13/55/1200691355.db2.gz FJDRIBKPGUZRCU-HNNXBMFYSA-N 2 2 375.477 0.880 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000582032367 1200691363 /nfs/dbraw/zinc/69/13/63/1200691363.db2.gz FJDRIBKPGUZRCU-HNNXBMFYSA-N 2 2 375.477 0.880 20 0 GCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000570074084 1200863484 /nfs/dbraw/zinc/86/34/84/1200863484.db2.gz KMAODUDVKJLIKJ-IAGOWNOFSA-N 2 2 398.467 0.965 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530815959 1200878704 /nfs/dbraw/zinc/87/87/04/1200878704.db2.gz JYFXEPBIJONARX-NRFANRHFSA-N 2 2 399.495 0.791 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530815959 1200878711 /nfs/dbraw/zinc/87/87/11/1200878711.db2.gz JYFXEPBIJONARX-NRFANRHFSA-N 2 2 399.495 0.791 20 0 GCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329814504 1201050589 /nfs/dbraw/zinc/05/05/89/1201050589.db2.gz DTIIUPBODBLJRB-INIZCTEOSA-N 2 2 378.521 1.409 20 0 GCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000923518407 1201061241 /nfs/dbraw/zinc/06/12/41/1201061241.db2.gz LMWAKLYDIIXTPI-RBUKOAKNSA-N 2 2 386.496 0.317 20 0 GCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000923518407 1201061247 /nfs/dbraw/zinc/06/12/47/1201061247.db2.gz LMWAKLYDIIXTPI-RBUKOAKNSA-N 2 2 386.496 0.317 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(OC)nc3C)C[C@H]2OC)CC[N@@H+]1C ZINC001081699401 1201301859 /nfs/dbraw/zinc/30/18/59/1201301859.db2.gz UQLGJXSWXGLRGO-BSDSXHPESA-N 2 2 391.516 0.839 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(OC)nc3C)C[C@H]2OC)CC[N@H+]1C ZINC001081699401 1201301867 /nfs/dbraw/zinc/30/18/67/1201301867.db2.gz UQLGJXSWXGLRGO-BSDSXHPESA-N 2 2 391.516 0.839 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(OC)nc3C)C[C@H]2OC)CC[NH+]1C ZINC001081699401 1201301873 /nfs/dbraw/zinc/30/18/73/1201301873.db2.gz UQLGJXSWXGLRGO-BSDSXHPESA-N 2 2 391.516 0.839 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(OC)nc3C)C[C@H]2OC)CC[NH+]1C ZINC001081699401 1201301877 /nfs/dbraw/zinc/30/18/77/1201301877.db2.gz UQLGJXSWXGLRGO-BSDSXHPESA-N 2 2 391.516 0.839 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2c(C)nsc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846563 1201305584 /nfs/dbraw/zinc/30/55/84/1201305584.db2.gz AJVWXRWXCAHXBQ-GAEVZRCVSA-N 2 2 382.530 0.794 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2c(C)nsc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846563 1201305588 /nfs/dbraw/zinc/30/55/88/1201305588.db2.gz AJVWXRWXCAHXBQ-GAEVZRCVSA-N 2 2 382.530 0.794 20 0 GCADLP CO[C@@H]1C[NH+](Cc2c(C)nsc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081846563 1201305595 /nfs/dbraw/zinc/30/55/95/1201305595.db2.gz AJVWXRWXCAHXBQ-GAEVZRCVSA-N 2 2 382.530 0.794 20 0 GCADLP CO[C@@H]1C[NH+](Cc2c(C)nsc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081846563 1201305600 /nfs/dbraw/zinc/30/56/00/1201305600.db2.gz AJVWXRWXCAHXBQ-GAEVZRCVSA-N 2 2 382.530 0.794 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001082572729 1201337523 /nfs/dbraw/zinc/33/75/23/1201337523.db2.gz VJJJJMNUIIZVTP-RGCMKSIDSA-N 2 2 388.472 0.280 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001082572729 1201337527 /nfs/dbraw/zinc/33/75/27/1201337527.db2.gz VJJJJMNUIIZVTP-RGCMKSIDSA-N 2 2 388.472 0.280 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001082656990 1201342469 /nfs/dbraw/zinc/34/24/69/1201342469.db2.gz FMEOSCQRQDSZCJ-AFYVEPGGSA-N 2 2 388.512 0.898 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082751075 1201348023 /nfs/dbraw/zinc/34/80/23/1201348023.db2.gz FWSAVCPYUATUEZ-KBUPBQIOSA-N 2 2 385.472 0.282 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N4CCC(C)CC4)C[C@@H]32)CC[N@@H+]1C ZINC001083085783 1201382498 /nfs/dbraw/zinc/38/24/98/1201382498.db2.gz LJPJLQNPVWCPIY-AKHDSKFASA-N 2 2 392.544 0.497 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N4CCC(C)CC4)C[C@@H]32)CC[N@H+]1C ZINC001083085783 1201382502 /nfs/dbraw/zinc/38/25/02/1201382502.db2.gz LJPJLQNPVWCPIY-AKHDSKFASA-N 2 2 392.544 0.497 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N4CCC(C)CC4)C[C@@H]32)CC[NH+]1C ZINC001083085783 1201382510 /nfs/dbraw/zinc/38/25/10/1201382510.db2.gz LJPJLQNPVWCPIY-AKHDSKFASA-N 2 2 392.544 0.497 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N4CCC(C)CC4)C[C@@H]32)CC[NH+]1C ZINC001083085783 1201382525 /nfs/dbraw/zinc/38/25/25/1201382525.db2.gz LJPJLQNPVWCPIY-AKHDSKFASA-N 2 2 392.544 0.497 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC001084355760 1201410467 /nfs/dbraw/zinc/41/04/67/1201410467.db2.gz GGXFCYNTNCNFQZ-JOCBIADPSA-N 2 2 378.517 0.155 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC001084355760 1201410468 /nfs/dbraw/zinc/41/04/68/1201410468.db2.gz GGXFCYNTNCNFQZ-JOCBIADPSA-N 2 2 378.517 0.155 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001084355760 1201410471 /nfs/dbraw/zinc/41/04/71/1201410471.db2.gz GGXFCYNTNCNFQZ-JOCBIADPSA-N 2 2 378.517 0.155 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001084355760 1201410472 /nfs/dbraw/zinc/41/04/72/1201410472.db2.gz GGXFCYNTNCNFQZ-JOCBIADPSA-N 2 2 378.517 0.155 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@H]32)O1 ZINC001084447493 1201412764 /nfs/dbraw/zinc/41/27/64/1201412764.db2.gz PZSZXGLNYZMWJQ-SVYNMNNPSA-N 2 2 385.468 0.975 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@H]32)O1 ZINC001084447493 1201412772 /nfs/dbraw/zinc/41/27/72/1201412772.db2.gz PZSZXGLNYZMWJQ-SVYNMNNPSA-N 2 2 385.468 0.975 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc5nonc5c4)C[C@H]32)O1 ZINC001084447493 1201412788 /nfs/dbraw/zinc/41/27/88/1201412788.db2.gz PZSZXGLNYZMWJQ-SVYNMNNPSA-N 2 2 385.468 0.975 20 0 GCADLP CN(c1cc(Cl)nc(N)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000731663365 1201494765 /nfs/dbraw/zinc/49/47/65/1201494765.db2.gz SPGHIPPULKIVDS-UHFFFAOYSA-N 2 2 381.912 0.387 20 0 GCADLP CC(C)[C@@](C)(CNC(=O)CC[NH+]1CCOCC1)NC(=O)CC[NH+]1CCOCC1 ZINC000733989610 1201636446 /nfs/dbraw/zinc/63/64/46/1201636446.db2.gz OSNMNGSSMGCPLH-HXUWFJFHSA-N 2 2 398.548 0.078 20 0 GCADLP CC(C)[C@](C)(CNC(=O)CC[NH+]1CCOCC1)NC(=O)CC[NH+]1CCOCC1 ZINC000733989608 1201636638 /nfs/dbraw/zinc/63/66/38/1201636638.db2.gz OSNMNGSSMGCPLH-FQEVSTJZSA-N 2 2 398.548 0.078 20 0 GCADLP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085242553 1201647662 /nfs/dbraw/zinc/64/76/62/1201647662.db2.gz WRSXKWMWVNKOLA-KBUPBQIOSA-N 2 2 381.477 0.452 20 0 GCADLP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085242553 1201647664 /nfs/dbraw/zinc/64/76/64/1201647664.db2.gz WRSXKWMWVNKOLA-KBUPBQIOSA-N 2 2 381.477 0.452 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCCC3)O1 ZINC001085242365 1201648113 /nfs/dbraw/zinc/64/81/13/1201648113.db2.gz OPUFAJPRIHBKRK-QBPKDAKJSA-N 2 2 390.532 0.851 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCCC3)O1 ZINC001085242365 1201648121 /nfs/dbraw/zinc/64/81/21/1201648121.db2.gz OPUFAJPRIHBKRK-QBPKDAKJSA-N 2 2 390.532 0.851 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)n2C)O1 ZINC001085242196 1201648269 /nfs/dbraw/zinc/64/82/69/1201648269.db2.gz HHJBVLHVHHFTKF-MWQQHZPXSA-N 2 2 390.532 0.929 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)n2C)O1 ZINC001085242196 1201648279 /nfs/dbraw/zinc/64/82/79/1201648279.db2.gz HHJBVLHVHHFTKF-MWQQHZPXSA-N 2 2 390.532 0.929 20 0 GCADLP CC(C)CN1C(=O)C(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738117563 1201734190 /nfs/dbraw/zinc/73/41/90/1201734190.db2.gz RVNRSDFIPJLKGV-UHFFFAOYSA-N 2 2 380.489 0.825 20 0 GCADLP C[NH+]1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000742473210 1201797709 /nfs/dbraw/zinc/79/77/09/1201797709.db2.gz XILHKICZBOMWSF-UHFFFAOYSA-N 2 2 382.402 0.585 20 0 GCADLP C[NH+]1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000742473210 1201797712 /nfs/dbraw/zinc/79/77/12/1201797712.db2.gz XILHKICZBOMWSF-UHFFFAOYSA-N 2 2 382.402 0.585 20 0 GCADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC[C@H]([NH3+])C2)C[NH2+]1 ZINC001156227036 1201927322 /nfs/dbraw/zinc/92/73/22/1201927322.db2.gz OSHDGRGCRRZVKH-GHJWDPDVSA-N 2 2 387.440 0.458 20 0 GCADLP CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169072951 1201932037 /nfs/dbraw/zinc/93/20/37/1201932037.db2.gz VKLKDSUADFFODZ-CQSZACIVSA-N 2 2 381.502 0.937 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001109113246 1201996736 /nfs/dbraw/zinc/99/67/36/1201996736.db2.gz GVWVGOBQBGKAIS-UGUYLWEFSA-N 2 2 381.521 0.136 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001109113246 1201996739 /nfs/dbraw/zinc/99/67/39/1201996739.db2.gz GVWVGOBQBGKAIS-UGUYLWEFSA-N 2 2 381.521 0.136 20 0 GCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001109113246 1201996741 /nfs/dbraw/zinc/99/67/41/1201996741.db2.gz GVWVGOBQBGKAIS-UGUYLWEFSA-N 2 2 381.521 0.136 20 0 GCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001109113246 1201996743 /nfs/dbraw/zinc/99/67/43/1201996743.db2.gz GVWVGOBQBGKAIS-UGUYLWEFSA-N 2 2 381.521 0.136 20 0 GCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289241 1202013575 /nfs/dbraw/zinc/01/35/75/1202013575.db2.gz HILXQDXFSHDTKI-KBXIAJHMSA-N 2 2 379.505 0.556 20 0 GCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289241 1202013577 /nfs/dbraw/zinc/01/35/77/1202013577.db2.gz HILXQDXFSHDTKI-KBXIAJHMSA-N 2 2 379.505 0.556 20 0 GCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293648 1202014827 /nfs/dbraw/zinc/01/48/27/1202014827.db2.gz FPDGNFAZWKKIEP-OWSLCNJRSA-N 2 2 378.517 0.202 20 0 GCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293648 1202014829 /nfs/dbraw/zinc/01/48/29/1202014829.db2.gz FPDGNFAZWKKIEP-OWSLCNJRSA-N 2 2 378.517 0.202 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001109304422 1202018863 /nfs/dbraw/zinc/01/88/63/1202018863.db2.gz ZWFSXKVHXTZVAB-SUJAAXHWSA-N 2 2 393.532 0.672 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001109304422 1202018866 /nfs/dbraw/zinc/01/88/66/1202018866.db2.gz ZWFSXKVHXTZVAB-SUJAAXHWSA-N 2 2 393.532 0.672 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC(C)(C)C)CC[NH+]1C ZINC001109304422 1202018868 /nfs/dbraw/zinc/01/88/68/1202018868.db2.gz ZWFSXKVHXTZVAB-SUJAAXHWSA-N 2 2 393.532 0.672 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC(C)(C)C)CC[NH+]1C ZINC001109304422 1202018870 /nfs/dbraw/zinc/01/88/70/1202018870.db2.gz ZWFSXKVHXTZVAB-SUJAAXHWSA-N 2 2 393.532 0.672 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCCO2)CCC1 ZINC001109403723 1202039083 /nfs/dbraw/zinc/03/90/83/1202039083.db2.gz UZCATYYITQBAPO-QZWWFDLISA-N 2 2 378.517 0.487 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCCO2)CCC1 ZINC001109403723 1202039087 /nfs/dbraw/zinc/03/90/87/1202039087.db2.gz UZCATYYITQBAPO-QZWWFDLISA-N 2 2 378.517 0.487 20 0 GCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1)C1CCC1 ZINC001109410849 1202039506 /nfs/dbraw/zinc/03/95/06/1202039506.db2.gz YJCOWEYNELSHST-BDXSIMOUSA-N 2 2 378.517 0.487 20 0 GCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1)C1CCC1 ZINC001109410849 1202039508 /nfs/dbraw/zinc/03/95/08/1202039508.db2.gz YJCOWEYNELSHST-BDXSIMOUSA-N 2 2 378.517 0.487 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1)C1CCC1 ZINC001109410849 1202039511 /nfs/dbraw/zinc/03/95/11/1202039511.db2.gz YJCOWEYNELSHST-BDXSIMOUSA-N 2 2 378.517 0.487 20 0 GCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1)C1CCC1 ZINC001109410849 1202039513 /nfs/dbraw/zinc/03/95/13/1202039513.db2.gz YJCOWEYNELSHST-BDXSIMOUSA-N 2 2 378.517 0.487 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)COCCOCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000769147288 1202047909 /nfs/dbraw/zinc/04/79/09/1202047909.db2.gz WYCOXLXPAVHMAZ-FZDBZEDMSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)COCCOCC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000769147288 1202047911 /nfs/dbraw/zinc/04/79/11/1202047911.db2.gz WYCOXLXPAVHMAZ-FZDBZEDMSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COCCOCC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000769147288 1202047915 /nfs/dbraw/zinc/04/79/15/1202047915.db2.gz WYCOXLXPAVHMAZ-FZDBZEDMSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COCCOCC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000769147288 1202047916 /nfs/dbraw/zinc/04/79/16/1202047916.db2.gz WYCOXLXPAVHMAZ-FZDBZEDMSA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@@H](C)C[NH+]1C ZINC000769147290 1202048191 /nfs/dbraw/zinc/04/81/91/1202048191.db2.gz WYCOXLXPAVHMAZ-MHORFTMASA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)[C@@H](C)C[NH+]1C ZINC000769147290 1202048193 /nfs/dbraw/zinc/04/81/93/1202048193.db2.gz WYCOXLXPAVHMAZ-MHORFTMASA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)[C@@H](C)C[N@H+]1C ZINC000769147290 1202048195 /nfs/dbraw/zinc/04/81/95/1202048195.db2.gz WYCOXLXPAVHMAZ-MHORFTMASA-N 2 2 398.548 0.122 20 0 GCADLP C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)[C@@H](C)C[N@@H+]1C ZINC000769147290 1202048202 /nfs/dbraw/zinc/04/82/02/1202048202.db2.gz WYCOXLXPAVHMAZ-MHORFTMASA-N 2 2 398.548 0.122 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769186626 1202050396 /nfs/dbraw/zinc/05/03/96/1202050396.db2.gz GUPTYGLTONRAPL-MRXNPFEDSA-N 2 2 397.564 0.728 20 0 GCADLP Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449142 1202052148 /nfs/dbraw/zinc/05/21/48/1202052148.db2.gz HBWTXXBFNNNEFH-PVAVHDDUSA-N 2 2 376.505 0.395 20 0 GCADLP Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449142 1202052150 /nfs/dbraw/zinc/05/21/50/1202052150.db2.gz HBWTXXBFNNNEFH-PVAVHDDUSA-N 2 2 376.505 0.395 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109465991 1202056662 /nfs/dbraw/zinc/05/66/62/1202056662.db2.gz DBYRIWYCPJALNT-KBXIAJHMSA-N 2 2 381.521 0.672 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109465991 1202056663 /nfs/dbraw/zinc/05/66/63/1202056663.db2.gz DBYRIWYCPJALNT-KBXIAJHMSA-N 2 2 381.521 0.672 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109465991 1202056665 /nfs/dbraw/zinc/05/66/65/1202056665.db2.gz DBYRIWYCPJALNT-KBXIAJHMSA-N 2 2 381.521 0.672 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109465991 1202056667 /nfs/dbraw/zinc/05/66/67/1202056667.db2.gz DBYRIWYCPJALNT-KBXIAJHMSA-N 2 2 381.521 0.672 20 0 GCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001109466063 1202057088 /nfs/dbraw/zinc/05/70/88/1202057088.db2.gz HVJVQMMREPCBPK-NCOADZHNSA-N 2 2 380.533 0.733 20 0 GCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001109466063 1202057093 /nfs/dbraw/zinc/05/70/93/1202057093.db2.gz HVJVQMMREPCBPK-NCOADZHNSA-N 2 2 380.533 0.733 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001109466063 1202057095 /nfs/dbraw/zinc/05/70/95/1202057095.db2.gz HVJVQMMREPCBPK-NCOADZHNSA-N 2 2 380.533 0.733 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001109466063 1202057099 /nfs/dbraw/zinc/05/70/99/1202057099.db2.gz HVJVQMMREPCBPK-NCOADZHNSA-N 2 2 380.533 0.733 20 0 GCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538701 1202076002 /nfs/dbraw/zinc/07/60/02/1202076002.db2.gz OQHLXBRBTMHELM-JCUSOQDJSA-N 2 2 376.501 0.049 20 0 GCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538701 1202076004 /nfs/dbraw/zinc/07/60/04/1202076004.db2.gz OQHLXBRBTMHELM-JCUSOQDJSA-N 2 2 376.501 0.049 20 0 GCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538701 1202076008 /nfs/dbraw/zinc/07/60/08/1202076008.db2.gz OQHLXBRBTMHELM-JCUSOQDJSA-N 2 2 376.501 0.049 20 0 GCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538701 1202076009 /nfs/dbraw/zinc/07/60/09/1202076009.db2.gz OQHLXBRBTMHELM-JCUSOQDJSA-N 2 2 376.501 0.049 20 0 GCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549099 1202077077 /nfs/dbraw/zinc/07/70/77/1202077077.db2.gz JFTYWMFDEZVQKY-NCOADZHNSA-N 2 2 380.489 0.098 20 0 GCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549099 1202077079 /nfs/dbraw/zinc/07/70/79/1202077079.db2.gz JFTYWMFDEZVQKY-NCOADZHNSA-N 2 2 380.489 0.098 20 0 GCADLP C[N@H+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O)C1CCCCC1 ZINC001109561828 1202081110 /nfs/dbraw/zinc/08/11/10/1202081110.db2.gz QNSSNBHBBYXGHV-PMPSAXMXSA-N 2 2 379.505 0.557 20 0 GCADLP C[N@@H+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O)C1CCCCC1 ZINC001109561828 1202081113 /nfs/dbraw/zinc/08/11/13/1202081113.db2.gz QNSSNBHBBYXGHV-PMPSAXMXSA-N 2 2 379.505 0.557 20 0 GCADLP C[NH+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O)C1CCCCC1 ZINC001109561828 1202081115 /nfs/dbraw/zinc/08/11/15/1202081115.db2.gz QNSSNBHBBYXGHV-PMPSAXMXSA-N 2 2 379.505 0.557 20 0 GCADLP C[NH+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O)C1CCCCC1 ZINC001109561828 1202081119 /nfs/dbraw/zinc/08/11/19/1202081119.db2.gz QNSSNBHBBYXGHV-PMPSAXMXSA-N 2 2 379.505 0.557 20 0 GCADLP CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654988 1202098931 /nfs/dbraw/zinc/09/89/31/1202098931.db2.gz DERQFPIWUVBXGM-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654988 1202098933 /nfs/dbraw/zinc/09/89/33/1202098933.db2.gz DERQFPIWUVBXGM-SQNIBIBYSA-N 2 2 382.549 0.981 20 0 GCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)CC1 ZINC001109671598 1202103348 /nfs/dbraw/zinc/10/33/48/1202103348.db2.gz SEZRZVRPKWADOB-PMPSAXMXSA-N 2 2 377.489 0.038 20 0 GCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)CC1 ZINC001109671598 1202103350 /nfs/dbraw/zinc/10/33/50/1202103350.db2.gz SEZRZVRPKWADOB-PMPSAXMXSA-N 2 2 377.489 0.038 20 0 GCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001109843062 1202133746 /nfs/dbraw/zinc/13/37/46/1202133746.db2.gz AIASDXAMWMAGQG-OWSLCNJRSA-N 2 2 378.517 0.489 20 0 GCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001109843062 1202133748 /nfs/dbraw/zinc/13/37/48/1202133748.db2.gz AIASDXAMWMAGQG-OWSLCNJRSA-N 2 2 378.517 0.489 20 0 GCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849336 1202135428 /nfs/dbraw/zinc/13/54/28/1202135428.db2.gz NOYUMSRXLKGPRB-BDXSIMOUSA-N 2 2 380.533 0.686 20 0 GCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849336 1202135429 /nfs/dbraw/zinc/13/54/29/1202135429.db2.gz NOYUMSRXLKGPRB-BDXSIMOUSA-N 2 2 380.533 0.686 20 0 GCADLP CCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849408 1202135481 /nfs/dbraw/zinc/13/54/81/1202135481.db2.gz QPJFXHXDUJHSRL-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849408 1202135482 /nfs/dbraw/zinc/13/54/82/1202135482.db2.gz QPJFXHXDUJHSRL-MHORFTMASA-N 2 2 380.533 0.735 20 0 GCADLP CC(C)N1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109849571 1202135637 /nfs/dbraw/zinc/13/56/37/1202135637.db2.gz XQTAQBJEPVYWFN-OWSLCNJRSA-N 2 2 378.517 0.440 20 0 GCADLP CC(C)N1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109849571 1202135640 /nfs/dbraw/zinc/13/56/40/1202135640.db2.gz XQTAQBJEPVYWFN-OWSLCNJRSA-N 2 2 378.517 0.440 20 0 GCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849153 1202135873 /nfs/dbraw/zinc/13/58/73/1202135873.db2.gz FSNSYQLGNNAPIG-MHORFTMASA-N 2 2 380.533 0.687 20 0 GCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849153 1202135876 /nfs/dbraw/zinc/13/58/76/1202135876.db2.gz FSNSYQLGNNAPIG-MHORFTMASA-N 2 2 380.533 0.687 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000771546203 1202145120 /nfs/dbraw/zinc/14/51/20/1202145120.db2.gz LOZDOTRTHWFLFO-SFHVURJKSA-N 2 2 381.565 0.907 20 0 GCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[N@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000771546203 1202145121 /nfs/dbraw/zinc/14/51/21/1202145121.db2.gz LOZDOTRTHWFLFO-SFHVURJKSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1 ZINC001109977413 1202165360 /nfs/dbraw/zinc/16/53/60/1202165360.db2.gz IINQZIAGTKRYJU-BDXSIMOUSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1 ZINC001109977413 1202165362 /nfs/dbraw/zinc/16/53/62/1202165362.db2.gz IINQZIAGTKRYJU-BDXSIMOUSA-N 2 2 380.533 0.545 20 0 GCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981093 1202166648 /nfs/dbraw/zinc/16/66/48/1202166648.db2.gz LTDBNGIIZVKPNB-ILXRZTDVSA-N 2 2 377.489 0.040 20 0 GCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981093 1202166650 /nfs/dbraw/zinc/16/66/50/1202166650.db2.gz LTDBNGIIZVKPNB-ILXRZTDVSA-N 2 2 377.489 0.040 20 0 GCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001110021474 1202175921 /nfs/dbraw/zinc/17/59/21/1202175921.db2.gz DUVRYEOERDAWKT-WCVJEAGWSA-N 2 2 381.521 0.672 20 0 GCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001110021474 1202175923 /nfs/dbraw/zinc/17/59/23/1202175923.db2.gz DUVRYEOERDAWKT-WCVJEAGWSA-N 2 2 381.521 0.672 20 0 GCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001110021474 1202175926 /nfs/dbraw/zinc/17/59/26/1202175926.db2.gz DUVRYEOERDAWKT-WCVJEAGWSA-N 2 2 381.521 0.672 20 0 GCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001110021474 1202175927 /nfs/dbraw/zinc/17/59/27/1202175927.db2.gz DUVRYEOERDAWKT-WCVJEAGWSA-N 2 2 381.521 0.672 20 0 GCADLP COCCCNC(=O)C1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790368522 1205463766 /nfs/dbraw/zinc/46/37/66/1205463766.db2.gz JNDDJNXIZQJYAI-HXUWFJFHSA-N 2 2 394.516 0.725 20 0 GCADLP COCCCNC(=O)C1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790368518 1205463810 /nfs/dbraw/zinc/46/38/10/1205463810.db2.gz JNDDJNXIZQJYAI-FQEVSTJZSA-N 2 2 394.516 0.725 20 0 GCADLP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000792277000 1205486126 /nfs/dbraw/zinc/48/61/26/1205486126.db2.gz NFMFHIBWYWUQNL-UHFFFAOYSA-N 2 2 398.548 0.844 20 0 GCADLP C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000793631857 1205501277 /nfs/dbraw/zinc/50/12/77/1205501277.db2.gz OOVYUSODDYRHQC-YJBOKZPZSA-N 2 2 388.512 0.641 20 0 GCADLP C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000793631857 1205501278 /nfs/dbraw/zinc/50/12/78/1205501278.db2.gz OOVYUSODDYRHQC-YJBOKZPZSA-N 2 2 388.512 0.641 20 0 GCADLP C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793678346 1205502398 /nfs/dbraw/zinc/50/23/98/1205502398.db2.gz FFZGSAZNVKQIEQ-IAGOWNOFSA-N 2 2 388.512 0.855 20 0 GCADLP C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793678346 1205502400 /nfs/dbraw/zinc/50/24/00/1205502400.db2.gz FFZGSAZNVKQIEQ-IAGOWNOFSA-N 2 2 388.512 0.855 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000793696655 1205504050 /nfs/dbraw/zinc/50/40/50/1205504050.db2.gz HFGHNIBOZLCKBA-KRWDZBQOSA-N 3 2 381.565 0.461 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000793696655 1205504051 /nfs/dbraw/zinc/50/40/51/1205504051.db2.gz HFGHNIBOZLCKBA-KRWDZBQOSA-N 3 2 381.565 0.461 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129898050 1205524504 /nfs/dbraw/zinc/52/45/04/1205524504.db2.gz LHYVWMXKXBJRDO-AHCXZYCDSA-N 2 2 385.472 0.573 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129898050 1205524505 /nfs/dbraw/zinc/52/45/05/1205524505.db2.gz LHYVWMXKXBJRDO-AHCXZYCDSA-N 2 2 385.472 0.573 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccc(Cl)nc3)C2)CC1 ZINC000806211295 1205551869 /nfs/dbraw/zinc/55/18/69/1205551869.db2.gz WDWJMPBGECFVKV-OAHLLOKOSA-N 2 2 393.919 0.678 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccc(Cl)nc3)C2)CC1 ZINC000806211295 1205551871 /nfs/dbraw/zinc/55/18/71/1205551871.db2.gz WDWJMPBGECFVKV-OAHLLOKOSA-N 2 2 393.919 0.678 20 0 GCADLP CN(C(=O)C(=O)Nc1cnnn1C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000810399499 1205636951 /nfs/dbraw/zinc/63/69/51/1205636951.db2.gz RWEGAPGMTBUWSQ-CVEARBPZSA-N 2 2 391.520 0.549 20 0 GCADLP CN(C(=O)C(=O)Nc1cnnn1C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000810399499 1205636952 /nfs/dbraw/zinc/63/69/52/1205636952.db2.gz RWEGAPGMTBUWSQ-CVEARBPZSA-N 2 2 391.520 0.549 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000812021463 1205660299 /nfs/dbraw/zinc/66/02/99/1205660299.db2.gz XMHIJAVWWLJKLO-INIZCTEOSA-N 2 2 379.505 0.932 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000812021463 1205660300 /nfs/dbraw/zinc/66/03/00/1205660300.db2.gz XMHIJAVWWLJKLO-INIZCTEOSA-N 2 2 379.505 0.932 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)CC2)CC1 ZINC000747773476 1205662260 /nfs/dbraw/zinc/66/22/60/1205662260.db2.gz LYJVYTHRRIKUFY-UHFFFAOYSA-N 2 2 398.504 0.762 20 0 GCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]2C1 ZINC000812340353 1205664196 /nfs/dbraw/zinc/66/41/96/1205664196.db2.gz FVKOXVAWWJGKBO-MSOLQXFVSA-N 2 2 385.512 0.921 20 0 GCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]2C1 ZINC000812340353 1205664198 /nfs/dbraw/zinc/66/41/98/1205664198.db2.gz FVKOXVAWWJGKBO-MSOLQXFVSA-N 2 2 385.512 0.921 20 0 GCADLP C[NH+]1CCN(C[C@H]2Cn3ccnc3C[N@@H+]([C@H]3CCN4C(=O)CC[C@@H]4C3)C2)CC1 ZINC001172179853 1205714438 /nfs/dbraw/zinc/71/44/38/1205714438.db2.gz VOAIOXBHZVPGKB-GBESFXJTSA-N 2 2 386.544 0.716 20 0 GCADLP C[NH+]1CCN(C[C@H]2Cn3ccnc3C[N@H+]([C@H]3CCN4C(=O)CC[C@@H]4C3)C2)CC1 ZINC001172179853 1205714439 /nfs/dbraw/zinc/71/44/39/1205714439.db2.gz VOAIOXBHZVPGKB-GBESFXJTSA-N 2 2 386.544 0.716 20 0 GCADLP C[NH+]1CCN(C[C@H]2Cn3ccnc3C[N@@H+]([C@H]3CCN4C(=O)CC[C@H]4C3)C2)CC1 ZINC001172179852 1205714581 /nfs/dbraw/zinc/71/45/81/1205714581.db2.gz VOAIOXBHZVPGKB-FHWLQOOXSA-N 2 2 386.544 0.716 20 0 GCADLP C[NH+]1CCN(C[C@H]2Cn3ccnc3C[N@H+]([C@H]3CCN4C(=O)CC[C@H]4C3)C2)CC1 ZINC001172179852 1205714582 /nfs/dbraw/zinc/71/45/82/1205714582.db2.gz VOAIOXBHZVPGKB-FHWLQOOXSA-N 2 2 386.544 0.716 20 0 GCADLP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172261923 1205715398 /nfs/dbraw/zinc/71/53/98/1205715398.db2.gz ZHQQCJZNYJATLB-VVLHAWIVSA-N 2 2 392.452 0.635 20 0 GCADLP CC(C)OC(=O)CC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172750528 1205717402 /nfs/dbraw/zinc/71/74/02/1205717402.db2.gz HOLJLSDQKVYIGM-KBMXLJTQSA-N 2 2 393.488 0.522 20 0 GCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193205 1205744707 /nfs/dbraw/zinc/74/47/07/1205744707.db2.gz UKJGOKXXOPOBPO-OWSLCNJRSA-N 2 2 380.489 0.409 20 0 GCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193205 1205744709 /nfs/dbraw/zinc/74/47/09/1205744709.db2.gz UKJGOKXXOPOBPO-OWSLCNJRSA-N 2 2 380.489 0.409 20 0 GCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2c[nH+]c[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001176836374 1205755972 /nfs/dbraw/zinc/75/59/72/1205755972.db2.gz HETQCCPSAOCPGR-AHMROAQXSA-N 3 2 397.520 0.248 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)/C=C/c3nccs3)CC2)C1=O ZINC001177521099 1205771109 /nfs/dbraw/zinc/77/11/09/1205771109.db2.gz BCEVFISSVRKXHQ-SNAWJCMRSA-N 2 2 391.541 0.853 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)/C=C/c3nccs3)CC2)C1=O ZINC001177521099 1205771111 /nfs/dbraw/zinc/77/11/11/1205771111.db2.gz BCEVFISSVRKXHQ-SNAWJCMRSA-N 2 2 391.541 0.853 20 0 GCADLP [NH3+][C@@H]1NCN(C(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)[C@@H]2NCN[C@H]21 ZINC001178592955 1205789684 /nfs/dbraw/zinc/78/96/84/1205789684.db2.gz ANSATRMJIKDMSK-TYPHKJRUSA-N 2 2 392.507 0.227 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001178692319 1205792074 /nfs/dbraw/zinc/79/20/74/1205792074.db2.gz MHGQRXGYCCXAQZ-INIZCTEOSA-N 2 2 388.516 0.177 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001178692319 1205792075 /nfs/dbraw/zinc/79/20/75/1205792075.db2.gz MHGQRXGYCCXAQZ-INIZCTEOSA-N 2 2 388.516 0.177 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1=O ZINC001178693308 1205792355 /nfs/dbraw/zinc/79/23/55/1205792355.db2.gz ZGMZNFAMUXMFRW-KRWDZBQOSA-N 3 2 379.549 0.168 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1=O ZINC001178693308 1205792357 /nfs/dbraw/zinc/79/23/57/1205792357.db2.gz ZGMZNFAMUXMFRW-KRWDZBQOSA-N 3 2 379.549 0.168 20 0 GCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001178693308 1205792359 /nfs/dbraw/zinc/79/23/59/1205792359.db2.gz ZGMZNFAMUXMFRW-KRWDZBQOSA-N 3 2 379.549 0.168 20 0 GCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC001178693308 1205792361 /nfs/dbraw/zinc/79/23/61/1205792361.db2.gz ZGMZNFAMUXMFRW-KRWDZBQOSA-N 3 2 379.549 0.168 20 0 GCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179012533 1205799619 /nfs/dbraw/zinc/79/96/19/1205799619.db2.gz NMTXTIQSLCAFRM-SFHVURJKSA-N 2 2 394.516 0.025 20 0 GCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179012533 1205799620 /nfs/dbraw/zinc/79/96/20/1205799620.db2.gz NMTXTIQSLCAFRM-SFHVURJKSA-N 2 2 394.516 0.025 20 0 GCADLP CC[NH+](CC)CC(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001180386717 1205823532 /nfs/dbraw/zinc/82/35/32/1205823532.db2.gz AOWGPAOOLJTKIP-QGZVFWFLSA-N 2 2 393.532 0.537 20 0 GCADLP CCOC(CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)OCC ZINC001181792666 1205849901 /nfs/dbraw/zinc/84/99/01/1205849901.db2.gz UYDUTSYXWNHESH-UHFFFAOYSA-N 2 2 398.548 0.472 20 0 GCADLP CCOC(CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)OCC ZINC001181792666 1205849903 /nfs/dbraw/zinc/84/99/03/1205849903.db2.gz UYDUTSYXWNHESH-UHFFFAOYSA-N 2 2 398.548 0.472 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181975285 1205853194 /nfs/dbraw/zinc/85/31/94/1205853194.db2.gz CEUMMXVVWUWCLZ-UWVAXJGDSA-N 2 2 381.517 0.972 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001181975285 1205853197 /nfs/dbraw/zinc/85/31/97/1205853197.db2.gz CEUMMXVVWUWCLZ-UWVAXJGDSA-N 2 2 381.517 0.972 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182013015 1205854590 /nfs/dbraw/zinc/85/45/90/1205854590.db2.gz XPHCKCWGTGIQLN-QKLQHJQFSA-N 2 2 379.501 0.583 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)n2cc(C[NH3+])cnc2=N)C1 ZINC001182304542 1205863972 /nfs/dbraw/zinc/86/39/72/1205863972.db2.gz BMKGKJHZKILNEI-CQSZACIVSA-N 2 2 378.477 0.793 20 0 GCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)n2cc(C[NH3+])cnc2=N)C1 ZINC001182304542 1205863976 /nfs/dbraw/zinc/86/39/76/1205863976.db2.gz BMKGKJHZKILNEI-CQSZACIVSA-N 2 2 378.477 0.793 20 0 GCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 ZINC001182550655 1205875591 /nfs/dbraw/zinc/87/55/91/1205875591.db2.gz SNMVDNFINGHMCM-ZDUSSCGKSA-N 2 2 393.469 0.420 20 0 GCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCC[NH+]3CC3CC3)C2)C1 ZINC001182553415 1205875838 /nfs/dbraw/zinc/87/58/38/1205875838.db2.gz NGZXFQIXZPSCMU-RXVVDRJESA-N 2 2 392.544 0.548 20 0 GCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCC[NH+]3CC3CC3)C2)C1 ZINC001182553415 1205875839 /nfs/dbraw/zinc/87/58/39/1205875839.db2.gz NGZXFQIXZPSCMU-RXVVDRJESA-N 2 2 392.544 0.548 20 0 GCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@@H+]3CC3CC3)C2)C1 ZINC001182553415 1205875840 /nfs/dbraw/zinc/87/58/40/1205875840.db2.gz NGZXFQIXZPSCMU-RXVVDRJESA-N 2 2 392.544 0.548 20 0 GCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@H+]3CC3CC3)C2)C1 ZINC001182553415 1205875841 /nfs/dbraw/zinc/87/58/41/1205875841.db2.gz NGZXFQIXZPSCMU-RXVVDRJESA-N 2 2 392.544 0.548 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)C1=O ZINC001182749420 1205878990 /nfs/dbraw/zinc/87/89/90/1205878990.db2.gz JOMYTFPTAOEKMN-HNNXBMFYSA-N 2 2 394.516 0.025 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)C1=O ZINC001182749420 1205878991 /nfs/dbraw/zinc/87/89/91/1205878991.db2.gz JOMYTFPTAOEKMN-HNNXBMFYSA-N 2 2 394.516 0.025 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000774726532 1205905742 /nfs/dbraw/zinc/90/57/42/1205905742.db2.gz OMQMPASZIGOXPU-QGZVFWFLSA-N 2 2 397.564 0.633 20 0 GCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000774726532 1205905743 /nfs/dbraw/zinc/90/57/43/1205905743.db2.gz OMQMPASZIGOXPU-QGZVFWFLSA-N 2 2 397.564 0.633 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCC[C@H]3CO)CC2)C1=O ZINC001184159975 1205906228 /nfs/dbraw/zinc/90/62/28/1205906228.db2.gz FTBDIEFWRFDGAM-ZWKOTPCHSA-N 2 2 394.560 0.482 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCC[C@H]3CO)CC2)C1=O ZINC001184159975 1205906229 /nfs/dbraw/zinc/90/62/29/1205906229.db2.gz FTBDIEFWRFDGAM-ZWKOTPCHSA-N 2 2 394.560 0.482 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001185242914 1205918485 /nfs/dbraw/zinc/91/84/85/1205918485.db2.gz ABXVQAQWIGDAAD-IBGZPJMESA-N 2 2 376.501 0.260 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001185242914 1205918487 /nfs/dbraw/zinc/91/84/87/1205918487.db2.gz ABXVQAQWIGDAAD-IBGZPJMESA-N 2 2 376.501 0.260 20 0 GCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]([NH+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001185250089 1205918806 /nfs/dbraw/zinc/91/88/06/1205918806.db2.gz CJYAERYPEMAUBI-WTGUMLROSA-N 2 2 387.528 0.518 20 0 GCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]([NH+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001185250089 1205918807 /nfs/dbraw/zinc/91/88/07/1205918807.db2.gz CJYAERYPEMAUBI-WTGUMLROSA-N 2 2 387.528 0.518 20 0 GCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001185250089 1205918809 /nfs/dbraw/zinc/91/88/09/1205918809.db2.gz CJYAERYPEMAUBI-WTGUMLROSA-N 2 2 387.528 0.518 20 0 GCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001185250089 1205918811 /nfs/dbraw/zinc/91/88/11/1205918811.db2.gz CJYAERYPEMAUBI-WTGUMLROSA-N 2 2 387.528 0.518 20 0 GCADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4C[N@H+](C)CCN4C)C3)O2)CC1 ZINC001185251765 1205919397 /nfs/dbraw/zinc/91/93/97/1205919397.db2.gz PHIPNGFKBPDRNC-SVFBPWRDSA-N 2 2 393.576 0.020 20 0 GCADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4C[N@@H+](C)CCN4C)C3)O2)CC1 ZINC001185251765 1205919398 /nfs/dbraw/zinc/91/93/98/1205919398.db2.gz PHIPNGFKBPDRNC-SVFBPWRDSA-N 2 2 393.576 0.020 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001185251765 1205919399 /nfs/dbraw/zinc/91/93/99/1205919399.db2.gz PHIPNGFKBPDRNC-SVFBPWRDSA-N 2 2 393.576 0.020 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001185251765 1205919400 /nfs/dbraw/zinc/91/94/00/1205919400.db2.gz PHIPNGFKBPDRNC-SVFBPWRDSA-N 2 2 393.576 0.020 20 0 GCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC2(CC1)C(=O)NCC[NH+]2Cc1ccccc1 ZINC001186037098 1205933576 /nfs/dbraw/zinc/93/35/76/1205933576.db2.gz DZAWAHGEKLLCTR-GOSISDBHSA-N 2 2 386.496 0.046 20 0 GCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC2(CC1)C(=O)NCC[NH+]2Cc1ccccc1 ZINC001186037098 1205933578 /nfs/dbraw/zinc/93/35/78/1205933578.db2.gz DZAWAHGEKLLCTR-GOSISDBHSA-N 2 2 386.496 0.046 20 0 GCADLP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001186037098 1205933580 /nfs/dbraw/zinc/93/35/80/1205933580.db2.gz DZAWAHGEKLLCTR-GOSISDBHSA-N 2 2 386.496 0.046 20 0 GCADLP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001186037098 1205933582 /nfs/dbraw/zinc/93/35/82/1205933582.db2.gz DZAWAHGEKLLCTR-GOSISDBHSA-N 2 2 386.496 0.046 20 0 GCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC2(CC1)C(=O)NCC[NH+]2Cc1ccccc1 ZINC001186037099 1205933679 /nfs/dbraw/zinc/93/36/79/1205933679.db2.gz DZAWAHGEKLLCTR-SFHVURJKSA-N 2 2 386.496 0.046 20 0 GCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC2(CC1)C(=O)NCC[NH+]2Cc1ccccc1 ZINC001186037099 1205933680 /nfs/dbraw/zinc/93/36/80/1205933680.db2.gz DZAWAHGEKLLCTR-SFHVURJKSA-N 2 2 386.496 0.046 20 0 GCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001186037099 1205933681 /nfs/dbraw/zinc/93/36/81/1205933681.db2.gz DZAWAHGEKLLCTR-SFHVURJKSA-N 2 2 386.496 0.046 20 0 GCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001186037099 1205933682 /nfs/dbraw/zinc/93/36/82/1205933682.db2.gz DZAWAHGEKLLCTR-SFHVURJKSA-N 2 2 386.496 0.046 20 0 GCADLP Cc1ccc(N(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001186039305 1205933700 /nfs/dbraw/zinc/93/37/00/1205933700.db2.gz WWBFFDYGXAEFTH-TXPKVOOTSA-N 2 2 375.473 0.096 20 0 GCADLP Cc1ccc(N(C(=O)C[N@H+]2CC[C@H](O)C2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001186039305 1205933701 /nfs/dbraw/zinc/93/37/01/1205933701.db2.gz WWBFFDYGXAEFTH-TXPKVOOTSA-N 2 2 375.473 0.096 20 0 GCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1)C1CC1 ZINC001188322730 1205979247 /nfs/dbraw/zinc/97/92/47/1205979247.db2.gz LOKNAAGWNISWFU-CYGHRXIMSA-N 2 2 378.517 0.249 20 0 GCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1)C1CC1 ZINC001188322730 1205979248 /nfs/dbraw/zinc/97/92/48/1205979248.db2.gz LOKNAAGWNISWFU-CYGHRXIMSA-N 2 2 378.517 0.249 20 0 GCADLP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1)C1CC1 ZINC001188322730 1205979251 /nfs/dbraw/zinc/97/92/51/1205979251.db2.gz LOKNAAGWNISWFU-CYGHRXIMSA-N 2 2 378.517 0.249 20 0 GCADLP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1)C1CC1 ZINC001188322730 1205979255 /nfs/dbraw/zinc/97/92/55/1205979255.db2.gz LOKNAAGWNISWFU-CYGHRXIMSA-N 2 2 378.517 0.249 20 0 GCADLP COCCN1CC[N@H+](C)C2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)C1=O ZINC001164644862 719282144 /nfs/dbraw/zinc/28/21/44/719282144.db2.gz UWYPWZGWYDHWDP-UHFFFAOYSA-N 2 2 375.517 0.903 20 0 GCADLP COCCN1CC[N@@H+](C)C2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)C1=O ZINC001164644862 719282148 /nfs/dbraw/zinc/28/21/48/719282148.db2.gz UWYPWZGWYDHWDP-UHFFFAOYSA-N 2 2 375.517 0.903 20 0 GCADLP COCCN1CC[N@H+](C)C2(CCN(c3ncc(C)c(C4C[NH2+]C4)n3)CC2)C1=O ZINC001164644325 719285497 /nfs/dbraw/zinc/28/54/97/719285497.db2.gz IQOXVTBENVNTMI-UHFFFAOYSA-N 2 2 388.516 0.231 20 0 GCADLP COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C)c(C4C[NH2+]C4)n3)CC2)C1=O ZINC001164644325 719285500 /nfs/dbraw/zinc/28/55/00/719285500.db2.gz IQOXVTBENVNTMI-UHFFFAOYSA-N 2 2 388.516 0.231 20 0 GCADLP CC(C)[N@H+](C)Cc1nn(-c2ccc(N3CC[NH+](C)CC3)nn2)c2c1CC[NH2+]C2 ZINC001164685947 719605093 /nfs/dbraw/zinc/60/50/93/719605093.db2.gz XEYTXONFJKUCJM-UHFFFAOYSA-N 3 2 384.532 0.900 20 0 GCADLP CC(C)[N@@H+](C)Cc1nn(-c2ccc(N3CC[NH+](C)CC3)nn2)c2c1CC[NH2+]C2 ZINC001164685947 719605104 /nfs/dbraw/zinc/60/51/04/719605104.db2.gz XEYTXONFJKUCJM-UHFFFAOYSA-N 3 2 384.532 0.900 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4OCCN(c5ncccn5)[C@H]4C3)[nH+]2)CC1 ZINC001164690842 719800076 /nfs/dbraw/zinc/80/00/76/719800076.db2.gz ATHCOLSLDNBMGO-IRXDYDNUSA-N 2 2 381.484 0.717 20 0 GCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(C2C[NH2+]C2)n1 ZINC001164702815 719880728 /nfs/dbraw/zinc/88/07/28/719880728.db2.gz QZIKJPDKBNKOHX-JXFKEZNVSA-N 2 2 389.500 0.705 20 0 GCADLP Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cn1 ZINC001164712315 720073147 /nfs/dbraw/zinc/07/31/47/720073147.db2.gz OOSGSTJAMSMVDK-IAGOWNOFSA-N 2 2 381.484 0.951 20 0 GCADLP CCN(C)c1cc(C)[nH+]c(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164720360 720209710 /nfs/dbraw/zinc/20/97/10/720209710.db2.gz ZILYBQVOSLQXFD-FQEVSTJZSA-N 2 2 390.532 0.906 20 0 GCADLP CCN(C)c1cc(C)[nH+]c(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164720360 720209719 /nfs/dbraw/zinc/20/97/19/720209719.db2.gz ZILYBQVOSLQXFD-FQEVSTJZSA-N 2 2 390.532 0.906 20 0 GCADLP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164744169 720725729 /nfs/dbraw/zinc/72/57/29/720725729.db2.gz RIWQEJRLBPBHJQ-HZPDHXFCSA-N 2 2 383.456 0.445 20 0 GCADLP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164744169 720725739 /nfs/dbraw/zinc/72/57/39/720725739.db2.gz RIWQEJRLBPBHJQ-HZPDHXFCSA-N 2 2 383.456 0.445 20 0 GCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC001164751748 720960953 /nfs/dbraw/zinc/96/09/53/720960953.db2.gz SZQVXNSAJVLOSS-UHFFFAOYSA-N 3 2 399.499 0.333 20 0 GCADLP C[NH+]1CCN(c2nccc(N3CCc4[nH+]cc(Cn5cccn5)n4CC3)n2)CC1 ZINC001164861144 721033173 /nfs/dbraw/zinc/03/31/73/721033173.db2.gz DEZGWCSHSYXVPO-UHFFFAOYSA-N 2 2 393.499 0.732 20 0 GCADLP C[NH+]1CCN(c2cccc(N3C[C@H]4OCCN(c5cnccn5)[C@@H]4C3)[nH+]2)CC1 ZINC001164765380 721263194 /nfs/dbraw/zinc/26/31/94/721263194.db2.gz KSFRUXVHXHCGPV-IAGOWNOFSA-N 2 2 381.484 0.717 20 0 GCADLP Cn1cc(N2C[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3C2=O)cn1 ZINC001164980233 722095132 /nfs/dbraw/zinc/09/51/32/722095132.db2.gz LTKKJZDVFQSHIP-RDJZCZTQSA-N 2 2 381.484 0.666 20 0 GCADLP Cc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc(N(C)C)[nH+]1 ZINC001164996072 722229890 /nfs/dbraw/zinc/22/98/90/722229890.db2.gz CPNYJGJFZFJNQH-UHFFFAOYSA-N 2 2 382.516 0.998 20 0 GCADLP Cc1nc(N(C)C)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)[nH+]1 ZINC001164996072 722229891 /nfs/dbraw/zinc/22/98/91/722229891.db2.gz CPNYJGJFZFJNQH-UHFFFAOYSA-N 2 2 382.516 0.998 20 0 GCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cc1c[nH+]cn1C ZINC001571272488 945664354 /nfs/dbraw/zinc/66/43/54/945664354.db2.gz UQUZFQIPAMLSIJ-NEPJUHHUSA-N 2 2 386.485 0.983 20 0 GCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571276139 945725296 /nfs/dbraw/zinc/72/52/96/945725296.db2.gz HXGUGIWRDFIAGX-CZUORRHYSA-N 2 2 386.460 0.020 20 0 GCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571276139 945725300 /nfs/dbraw/zinc/72/53/00/945725300.db2.gz HXGUGIWRDFIAGX-CZUORRHYSA-N 2 2 386.460 0.020 20 0 GCADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821627335 945755305 /nfs/dbraw/zinc/75/53/05/945755305.db2.gz XLFDWBNNTHWBEV-SFHVURJKSA-N 2 2 398.515 0.541 20 0 GCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821627335 945755314 /nfs/dbraw/zinc/75/53/14/945755314.db2.gz XLFDWBNNTHWBEV-SFHVURJKSA-N 2 2 398.515 0.541 20 0 GCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571293980 946122636 /nfs/dbraw/zinc/12/26/36/946122636.db2.gz XKKUFAYFCQEBMZ-GDBMZVCRSA-N 2 2 389.435 0.027 20 0 GCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571293980 946122640 /nfs/dbraw/zinc/12/26/40/946122640.db2.gz XKKUFAYFCQEBMZ-GDBMZVCRSA-N 2 2 389.435 0.027 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574427717 948912224 /nfs/dbraw/zinc/91/22/24/948912224.db2.gz MENNPNZBWPDBQM-CYBMUJFWSA-N 2 2 383.460 0.963 20 0 GCADLP C[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926929 949030907 /nfs/dbraw/zinc/03/09/07/949030907.db2.gz ZVZDPMQVDLLYMC-AWEZNQCLSA-N 2 2 380.456 0.732 20 0 GCADLP C[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926929 949030895 /nfs/dbraw/zinc/03/08/95/949030895.db2.gz ZVZDPMQVDLLYMC-AWEZNQCLSA-N 2 2 380.456 0.732 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711874 949561165 /nfs/dbraw/zinc/56/11/65/949561165.db2.gz NJQDOQBJJSHGPH-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711874 949561187 /nfs/dbraw/zinc/56/11/87/949561187.db2.gz NJQDOQBJJSHGPH-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001573819013 949744842 /nfs/dbraw/zinc/74/48/42/949744842.db2.gz QYOVBPKJNUGTRL-HNNXBMFYSA-N 2 2 383.460 0.913 20 0 GCADLP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171033 949749508 /nfs/dbraw/zinc/74/95/08/949749508.db2.gz OXTUJWRLUGYYGQ-YOEHRIQHSA-N 2 2 384.488 0.818 20 0 GCADLP C[C@@H](CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574484637 949892736 /nfs/dbraw/zinc/89/27/36/949892736.db2.gz LCMFPINNLRZGDK-KBPBESRZSA-N 2 2 381.444 0.934 20 0 GCADLP C[C@H](CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cc[nH+]c1 ZINC001574490420 949995244 /nfs/dbraw/zinc/99/52/44/949995244.db2.gz RGNONSIAINFISQ-WBMJQRKESA-N 2 2 381.444 0.838 20 0 GCADLP C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574494759 950184051 /nfs/dbraw/zinc/18/40/51/950184051.db2.gz NVYICVINXMRETA-CZUORRHYSA-N 2 2 384.444 0.281 20 0 GCADLP C[C@@H](CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cc[nH+]c1 ZINC001574494842 950188593 /nfs/dbraw/zinc/18/85/93/950188593.db2.gz PDJCRGLVDHKHLZ-LRDDRELGSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575906964 950319828 /nfs/dbraw/zinc/31/98/28/950319828.db2.gz LFDJZFWHNNPYCJ-DYVFJYSZSA-N 2 2 380.456 0.922 20 0 GCADLP C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574508519 950481069 /nfs/dbraw/zinc/48/10/69/950481069.db2.gz PCIMTJAYWAJODO-IHRRRGAJSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574508527 950482950 /nfs/dbraw/zinc/48/29/50/950482950.db2.gz PCIMTJAYWAJODO-MGPQQGTHSA-N 2 2 381.444 0.838 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205849 950542204 /nfs/dbraw/zinc/54/22/04/950542204.db2.gz QIWPUXNPVYJFNQ-HUUCEWRRSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205849 950542219 /nfs/dbraw/zinc/54/22/19/950542219.db2.gz QIWPUXNPVYJFNQ-HUUCEWRRSA-N 2 2 384.488 0.936 20 0 GCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576205859 950544663 /nfs/dbraw/zinc/54/46/63/950544663.db2.gz QNJFNNQVAQORCQ-CYBMUJFWSA-N 2 2 387.463 0.896 20 0 GCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576205859 950544678 /nfs/dbraw/zinc/54/46/78/950544678.db2.gz QNJFNNQVAQORCQ-CYBMUJFWSA-N 2 2 387.463 0.896 20 0 GCADLP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)CC1 ZINC001576215410 950700289 /nfs/dbraw/zinc/70/02/89/950700289.db2.gz UTGYBILJZVMBFH-HWWDLCQESA-N 2 2 382.472 0.544 20 0 GCADLP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1c[nH+]cn1C ZINC001575926777 950723183 /nfs/dbraw/zinc/72/31/83/950723183.db2.gz LVWSNIQFZGYPDG-WFASDCNBSA-N 2 2 381.444 0.451 20 0 GCADLP C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001574771347 950917395 /nfs/dbraw/zinc/91/73/95/950917395.db2.gz BSVWQEMKUVLBAI-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001574771347 950917408 /nfs/dbraw/zinc/91/74/08/950917408.db2.gz BSVWQEMKUVLBAI-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574771347 950917425 /nfs/dbraw/zinc/91/74/25/950917425.db2.gz BSVWQEMKUVLBAI-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574771347 950917435 /nfs/dbraw/zinc/91/74/35/950917435.db2.gz BSVWQEMKUVLBAI-MLGOLLRUSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575077507 951671407 /nfs/dbraw/zinc/67/14/07/951671407.db2.gz FTRPZEQILCTBDH-LBPRGKRZSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081134 951719533 /nfs/dbraw/zinc/71/95/33/951719533.db2.gz OMPXOGLFVLJOBK-BLLLJJGKSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081134 951719541 /nfs/dbraw/zinc/71/95/41/951719541.db2.gz OMPXOGLFVLJOBK-BLLLJJGKSA-N 2 2 391.451 0.178 20 0 GCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089130 951745876 /nfs/dbraw/zinc/74/58/76/951745876.db2.gz DSXVZAMFSYIYHL-LBPRGKRZSA-N 2 2 386.435 0.824 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575089474 951751876 /nfs/dbraw/zinc/75/18/76/951751876.db2.gz GDLIGIULQWYTBT-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575089474 951751884 /nfs/dbraw/zinc/75/18/84/951751884.db2.gz GDLIGIULQWYTBT-LRDDRELGSA-N 2 2 391.451 0.273 20 0 GCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575105880 951901665 /nfs/dbraw/zinc/90/16/65/951901665.db2.gz PAWPJGXILRSNAE-GFCCVEGCSA-N 2 2 386.435 0.919 20 0 GCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575202635 952514935 /nfs/dbraw/zinc/51/49/35/952514935.db2.gz WOJCZJLLELLIEQ-WBMJQRKESA-N 2 2 384.444 0.035 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571146259 952647943 /nfs/dbraw/zinc/64/79/43/952647943.db2.gz FGLAPHUFENIGIW-HOTGVXAUSA-N 2 2 379.428 0.728 20 0 GCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571146260 952648050 /nfs/dbraw/zinc/64/80/50/952648050.db2.gz FGLAPHUFENIGIW-HZPDHXFCSA-N 2 2 379.428 0.728 20 0 GCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571186631 952908129 /nfs/dbraw/zinc/90/81/29/952908129.db2.gz YYOFSKHDPNFTSO-CHWSQXEVSA-N 2 2 381.444 0.166 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571188352 952913808 /nfs/dbraw/zinc/91/38/08/952913808.db2.gz JDRVNMPYSVZUNX-CQSZACIVSA-N 2 2 381.444 0.600 20 0 GCADLP Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189498 952929378 /nfs/dbraw/zinc/92/93/78/952929378.db2.gz WETQWESMWSPAFD-GXTWGEPZSA-N 2 2 381.444 0.655 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571212484 953088837 /nfs/dbraw/zinc/08/88/37/953088837.db2.gz MJUWNSVAZKVIIN-LPHOPBHVSA-N 2 2 382.472 0.785 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571212484 953088841 /nfs/dbraw/zinc/08/88/41/953088841.db2.gz MJUWNSVAZKVIIN-LPHOPBHVSA-N 2 2 382.472 0.785 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571213587 953096594 /nfs/dbraw/zinc/09/65/94/953096594.db2.gz SBGLEYZNFDZZJW-JOSSKFQKSA-N 2 2 382.472 0.617 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571213587 953096596 /nfs/dbraw/zinc/09/65/96/953096596.db2.gz SBGLEYZNFDZZJW-JOSSKFQKSA-N 2 2 382.472 0.617 20 0 GCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571239704 953242280 /nfs/dbraw/zinc/24/22/80/953242280.db2.gz QNRIJZOXVWKYIP-IAQYHMDHSA-N 2 2 384.419 0.908 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571239969 953244830 /nfs/dbraw/zinc/24/48/30/953244830.db2.gz WCOXLZJICYVFAY-WBMJQRKESA-N 2 2 384.419 0.982 20 0 GCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571239969 953244835 /nfs/dbraw/zinc/24/48/35/953244835.db2.gz WCOXLZJICYVFAY-WBMJQRKESA-N 2 2 384.419 0.982 20 0 GCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571242024 953252097 /nfs/dbraw/zinc/25/20/97/953252097.db2.gz SYKCCALBVLEFMZ-UHFFFAOYSA-N 2 2 384.419 0.956 20 0 GCADLP CN(C(=O)NC1CC[NH+](CC(=O)[O-])CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001604208314 972673040 /nfs/dbraw/zinc/67/30/40/972673040.db2.gz KFVHGFRVYDFXNM-KRWDZBQOSA-N 2 2 381.521 0.345 20 0 GCADLP CN(C(=O)NC1CC[NH+](CC(=O)[O-])CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001604208314 972673047 /nfs/dbraw/zinc/67/30/47/972673047.db2.gz KFVHGFRVYDFXNM-KRWDZBQOSA-N 2 2 381.521 0.345 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)CC1 ZINC001603760139 974200835 /nfs/dbraw/zinc/20/08/35/974200835.db2.gz BZZNEVJZWZMVOY-UHFFFAOYSA-N 2 2 395.548 0.737 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)CC1 ZINC001603760139 974200842 /nfs/dbraw/zinc/20/08/42/974200842.db2.gz BZZNEVJZWZMVOY-UHFFFAOYSA-N 2 2 395.548 0.737 20 0 GCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000653082939 530123846 /nfs/dbraw/zinc/12/38/46/530123846.db2.gz KAFFSMVUURDTMA-AWEZNQCLSA-N 2 2 385.306 0.964 20 0 GCADLP C[NH2+]CCN(C)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419042990 530141736 /nfs/dbraw/zinc/14/17/36/530141736.db2.gz MUMXQLOXTPVKPK-UHFFFAOYSA-N 2 2 382.262 0.699 20 0 GCADLP CC[NH+]1CCC(NC(=O)C[N@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000533520512 530141885 /nfs/dbraw/zinc/14/18/85/530141885.db2.gz CBIHTFGKJUZBPU-INIZCTEOSA-N 2 2 375.535 0.113 20 0 GCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000533520512 530141888 /nfs/dbraw/zinc/14/18/88/530141888.db2.gz CBIHTFGKJUZBPU-INIZCTEOSA-N 2 2 375.535 0.113 20 0 GCADLP CCS(=O)(=O)N1CCC([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000557633978 530198420 /nfs/dbraw/zinc/19/84/20/530198420.db2.gz PRLCNZVCIQQYMF-UHFFFAOYSA-N 2 2 375.535 0.808 20 0 GCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000571642240 530201843 /nfs/dbraw/zinc/20/18/43/530201843.db2.gz CWRLXFXPUQCWGK-UHFFFAOYSA-N 2 2 386.290 0.947 20 0 GCADLP Cc1nn(C)c(C[NH2+]CCCCN2CC[NH+](CCO)CC2)c1Br ZINC000447943163 530177463 /nfs/dbraw/zinc/17/74/63/530177463.db2.gz JHBNDYPJGWJOJD-UHFFFAOYSA-N 2 2 388.354 0.971 20 0 GCADLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCOc3ccc(S(N)(=O)=O)cc3)CC2)S1 ZINC000267079262 530208127 /nfs/dbraw/zinc/20/81/27/530208127.db2.gz QKKBQFKTACHTPX-CYBMUJFWSA-N 2 2 384.527 0.822 20 0 GCADLP C[NH+](C)[C@]1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCSC1 ZINC000531128490 530282255 /nfs/dbraw/zinc/28/22/55/530282255.db2.gz RFCHBJYWIGZUCI-IRXDYDNUSA-N 2 2 388.603 0.931 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000112921514 530261460 /nfs/dbraw/zinc/26/14/60/530261460.db2.gz YQDHAOGBYLQROY-UHFFFAOYSA-N 2 2 388.559 0.511 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000112921514 530261462 /nfs/dbraw/zinc/26/14/62/530261462.db2.gz YQDHAOGBYLQROY-UHFFFAOYSA-N 2 2 388.559 0.511 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(S(N)(=O)=O)s3)CC2)CC1 ZINC000591170874 530406746 /nfs/dbraw/zinc/40/67/46/530406746.db2.gz NPLGXWPWBXHSFT-UHFFFAOYSA-N 2 2 386.543 0.684 20 0 GCADLP CN(C(=O)c1csc(S(N)(=O)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365231241 530497604 /nfs/dbraw/zinc/49/76/04/530497604.db2.gz WKUVOSFDZBHJNK-CQSZACIVSA-N 2 2 386.543 0.636 20 0 GCADLP CN(C(=O)c1csc(S(N)(=O)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365231241 530497606 /nfs/dbraw/zinc/49/76/06/530497606.db2.gz WKUVOSFDZBHJNK-CQSZACIVSA-N 2 2 386.543 0.636 20 0 GCADLP CCN(C(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430596584 530501879 /nfs/dbraw/zinc/50/18/79/530501879.db2.gz JPPGKNHBKDEAOA-HUUCEWRRSA-N 2 2 375.535 0.240 20 0 GCADLP CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)CC[NH+](CC)CC)CC1 ZINC000568107442 530553691 /nfs/dbraw/zinc/55/36/91/530553691.db2.gz MXDRETSYJOWYGW-UHFFFAOYSA-N 2 2 376.567 0.580 20 0 GCADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000569021166 530566037 /nfs/dbraw/zinc/56/60/37/530566037.db2.gz OLFYXKUPVZOLFU-QWHCGFSZSA-N 2 2 393.535 0.190 20 0 GCADLP CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000569021166 530566038 /nfs/dbraw/zinc/56/60/38/530566038.db2.gz OLFYXKUPVZOLFU-QWHCGFSZSA-N 2 2 393.535 0.190 20 0 GCADLP O=S(=O)(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000629579138 530581448 /nfs/dbraw/zinc/58/14/48/530581448.db2.gz ZGCVRDAKRVODGM-ZDUSSCGKSA-N 2 2 379.885 0.804 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000629607623 530594223 /nfs/dbraw/zinc/59/42/23/530594223.db2.gz XAQAAMUAOQEQHG-WFASDCNBSA-N 2 2 386.290 0.600 20 0 GCADLP CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000452046875 530597262 /nfs/dbraw/zinc/59/72/62/530597262.db2.gz JBJSBOSNBYCSJE-UHFFFAOYSA-N 2 2 376.567 0.044 20 0 GCADLP C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[N@@H+]1C1CC1 ZINC000573983018 530585671 /nfs/dbraw/zinc/58/56/71/530585671.db2.gz ZHKAHEALIHTNMM-NWDGAFQWSA-N 2 2 391.519 0.086 20 0 GCADLP C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[N@@H+]1C1CC1 ZINC000573983019 530585839 /nfs/dbraw/zinc/58/58/39/530585839.db2.gz ZHKAHEALIHTNMM-RYUDHWBXSA-N 2 2 391.519 0.086 20 0 GCADLP C[N@@H+]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@@H](C[NH3+])C1 ZINC000577951444 530634058 /nfs/dbraw/zinc/63/40/58/530634058.db2.gz SYUCEHJFSDGTRE-LBPRGKRZSA-N 2 2 394.273 0.260 20 0 GCADLP C[N@H+]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@@H](C[NH3+])C1 ZINC000577951444 530634059 /nfs/dbraw/zinc/63/40/59/530634059.db2.gz SYUCEHJFSDGTRE-LBPRGKRZSA-N 2 2 394.273 0.260 20 0 GCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000468682069 530681801 /nfs/dbraw/zinc/68/18/01/530681801.db2.gz VSQNSOADIRJMHN-UHFFFAOYSA-N 2 2 388.559 0.977 20 0 GCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000617767437 530664488 /nfs/dbraw/zinc/66/44/88/530664488.db2.gz VILMROUHHJKBFL-UHFFFAOYSA-N 2 2 396.966 0.680 20 0 GCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000617767437 530664507 /nfs/dbraw/zinc/66/45/07/530664507.db2.gz VILMROUHHJKBFL-UHFFFAOYSA-N 2 2 396.966 0.680 20 0 GCADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](CC[NH3+])CCO)c1 ZINC000466985024 530671620 /nfs/dbraw/zinc/67/16/20/530671620.db2.gz SDOQFUXXEMPMNK-UHFFFAOYSA-N 2 2 392.909 0.172 20 0 GCADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](CC[NH3+])CCO)c1 ZINC000466985024 530671625 /nfs/dbraw/zinc/67/16/25/530671625.db2.gz SDOQFUXXEMPMNK-UHFFFAOYSA-N 2 2 392.909 0.172 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)S(C)(=O)=O ZINC000152435975 530683685 /nfs/dbraw/zinc/68/36/85/530683685.db2.gz DPOQGFPKOOSLBU-MRXNPFEDSA-N 2 2 376.567 0.436 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)S(C)(=O)=O ZINC000152435975 530683687 /nfs/dbraw/zinc/68/36/87/530683687.db2.gz DPOQGFPKOOSLBU-MRXNPFEDSA-N 2 2 376.567 0.436 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)S(C)(=O)=O ZINC000152435975 530683689 /nfs/dbraw/zinc/68/36/89/530683689.db2.gz DPOQGFPKOOSLBU-MRXNPFEDSA-N 2 2 376.567 0.436 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)S(C)(=O)=O ZINC000152435975 530683692 /nfs/dbraw/zinc/68/36/92/530683692.db2.gz DPOQGFPKOOSLBU-MRXNPFEDSA-N 2 2 376.567 0.436 20 0 GCADLP C[NH+]1CCN(S(=O)(=O)N2CCN(c3cc[nH+]c4ccsc43)CC2)CC1 ZINC000301341605 530679643 /nfs/dbraw/zinc/67/96/43/530679643.db2.gz FSAFCLNFPBUVOK-UHFFFAOYSA-N 2 2 381.527 0.911 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)S(C)(=O)=O ZINC000372990102 530775959 /nfs/dbraw/zinc/77/59/59/530775959.db2.gz MPEZJJRTHUIHMK-MRXNPFEDSA-N 2 2 376.567 0.579 20 0 GCADLP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)S(C)(=O)=O ZINC000372990102 530775960 /nfs/dbraw/zinc/77/59/60/530775960.db2.gz MPEZJJRTHUIHMK-MRXNPFEDSA-N 2 2 376.567 0.579 20 0 GCADLP C[C@@]1(O)CCC[N@H+](CCS(=O)(=O)CC[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000373429599 530780546 /nfs/dbraw/zinc/78/05/46/530780546.db2.gz CVFZJHMPJJSXQM-HDICACEKSA-N 2 2 376.563 0.875 20 0 GCADLP C[C@@]1(O)CCC[N@@H+](CCS(=O)(=O)CC[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000373429599 530780548 /nfs/dbraw/zinc/78/05/48/530780548.db2.gz CVFZJHMPJJSXQM-HDICACEKSA-N 2 2 376.563 0.875 20 0 GCADLP C[C@@]1(O)CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000373429599 530780550 /nfs/dbraw/zinc/78/05/50/530780550.db2.gz CVFZJHMPJJSXQM-HDICACEKSA-N 2 2 376.563 0.875 20 0 GCADLP C[C@@]1(O)CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000373429599 530780551 /nfs/dbraw/zinc/78/05/51/530780551.db2.gz CVFZJHMPJJSXQM-HDICACEKSA-N 2 2 376.563 0.875 20 0 GCADLP Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000583252242 530867451 /nfs/dbraw/zinc/86/74/51/530867451.db2.gz FVQWCWASTOSXMS-ZDUSSCGKSA-N 2 2 398.305 0.980 20 0 GCADLP Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000583252242 530867453 /nfs/dbraw/zinc/86/74/53/530867453.db2.gz FVQWCWASTOSXMS-ZDUSSCGKSA-N 2 2 398.305 0.980 20 0 GCADLP C[NH+](C)CCCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000501497403 530869694 /nfs/dbraw/zinc/86/96/94/530869694.db2.gz UVEAROCNVGYHAX-CABCVRRESA-N 2 2 377.576 0.391 20 0 GCADLP C[NH+](C)CCCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000501497403 530869696 /nfs/dbraw/zinc/86/96/96/530869696.db2.gz UVEAROCNVGYHAX-CABCVRRESA-N 2 2 377.576 0.391 20 0 GCADLP CC(C)S(=O)(=O)N1CCC([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000584405788 530870263 /nfs/dbraw/zinc/87/02/63/530870263.db2.gz AOGQSHHFAFHKMW-INMHGKMJSA-N 2 2 377.551 0.249 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419945595 530964232 /nfs/dbraw/zinc/96/42/32/530964232.db2.gz KHSOCEOLJBVAIZ-SNVBAGLBSA-N 2 2 382.262 0.685 20 0 GCADLP O=S(=O)(CCC[NH+]1CCCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000631786314 530947597 /nfs/dbraw/zinc/94/75/97/530947597.db2.gz VFWSJGZCTDZSBC-INIZCTEOSA-N 2 2 377.576 0.600 20 0 GCADLP CCC(CC)[C@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000631911547 530950466 /nfs/dbraw/zinc/95/04/66/530950466.db2.gz JCIUKYTXJCRTRI-KRWDZBQOSA-N 2 2 376.567 0.642 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419036902 530952526 /nfs/dbraw/zinc/95/25/26/530952526.db2.gz BYKAHYQCDOGODY-UHFFFAOYSA-N 2 2 382.262 0.747 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000522191819 530974082 /nfs/dbraw/zinc/97/40/82/530974082.db2.gz WAPUJSSYWGTUPB-UHFFFAOYSA-N 2 2 388.559 0.422 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000522191819 530974084 /nfs/dbraw/zinc/97/40/84/530974084.db2.gz WAPUJSSYWGTUPB-UHFFFAOYSA-N 2 2 388.559 0.422 20 0 GCADLP CC(C)N(CCCNC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)S(C)(=O)=O ZINC000420361619 530967293 /nfs/dbraw/zinc/96/72/93/530967293.db2.gz IFOQYJOBZAYVRQ-INIZCTEOSA-N 2 2 376.567 0.660 20 0 GCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NCC[NH2+]C3CC3)[nH+]c12 ZINC000642353047 530996512 /nfs/dbraw/zinc/99/65/12/530996512.db2.gz BZRJHLUBRLWRAD-UHFFFAOYSA-N 2 2 394.273 0.890 20 0 GCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CSC[NH2+]3)c2)CC1 ZINC000262626154 531034646 /nfs/dbraw/zinc/03/46/46/531034646.db2.gz DMQIKVJKSWRUHY-OAHLLOKOSA-N 2 2 384.527 0.614 20 0 GCADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@@H](O)CO ZINC000662288793 531019801 /nfs/dbraw/zinc/01/98/01/531019801.db2.gz KLSXUFGFFCXHCY-LLVKDONJSA-N 2 2 378.242 0.531 20 0 GCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@@H](O)CO ZINC000662288793 531019803 /nfs/dbraw/zinc/01/98/03/531019803.db2.gz KLSXUFGFFCXHCY-LLVKDONJSA-N 2 2 378.242 0.531 20 0 GCADLP [NH3+][C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccccc1Br ZINC000662552076 531021861 /nfs/dbraw/zinc/02/18/61/531021861.db2.gz BQVGGRFVCHJYFW-WBMJQRKESA-N 2 2 395.301 0.872 20 0 GCADLP [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccccc1Br ZINC000662552074 531022241 /nfs/dbraw/zinc/02/22/41/531022241.db2.gz BQVGGRFVCHJYFW-MLGOLLRUSA-N 2 2 395.301 0.872 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662678447 531022764 /nfs/dbraw/zinc/02/27/64/531022764.db2.gz FRNCOOXMNNYUBA-OAHLLOKOSA-N 2 2 383.290 0.729 20 0 GCADLP C[N@@H+]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[C@@H](C[NH3+])C1 ZINC000162469834 531001937 /nfs/dbraw/zinc/00/19/37/531001937.db2.gz DYZYVODJUBTZEV-NSHDSACASA-N 2 2 395.257 0.146 20 0 GCADLP C[N@H+]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[C@@H](C[NH3+])C1 ZINC000162469834 531001939 /nfs/dbraw/zinc/00/19/39/531001939.db2.gz DYZYVODJUBTZEV-NSHDSACASA-N 2 2 395.257 0.146 20 0 GCADLP O=C1C[C@@H]([NH2+]Cc2ccc(Br)cn2)CN1CC[NH+]1CCOCC1 ZINC000533252903 531038757 /nfs/dbraw/zinc/03/87/57/531038757.db2.gz RUIOXQGNVABQSH-OAHLLOKOSA-N 2 2 383.290 0.867 20 0 GCADLP C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000547439688 531097575 /nfs/dbraw/zinc/09/75/75/531097575.db2.gz VAJKMXPJZIELRA-UHFFFAOYSA-N 2 2 376.567 0.044 20 0 GCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000430561090 531113444 /nfs/dbraw/zinc/11/34/44/531113444.db2.gz YZOIBQMDIMECGM-YOEHRIQHSA-N 2 2 385.555 0.981 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000680951795 531162773 /nfs/dbraw/zinc/16/27/73/531162773.db2.gz WWSZCXZMBINVLT-QGZVFWFLSA-N 2 2 375.535 0.225 20 0 GCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000680951795 531162777 /nfs/dbraw/zinc/16/27/77/531162777.db2.gz WWSZCXZMBINVLT-QGZVFWFLSA-N 2 2 375.535 0.225 20 0 GCADLP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)c2ccccc2O1 ZINC000359879868 212122161 /nfs/dbraw/zinc/12/21/61/212122161.db2.gz ZMOSQLRRWVTHBX-MRXNPFEDSA-N 2 2 383.514 0.868 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736851903 598973428 /nfs/dbraw/zinc/97/34/28/598973428.db2.gz MIYSFYNTUYAOLG-MRXNPFEDSA-N 2 2 384.488 0.834 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736851903 598973430 /nfs/dbraw/zinc/97/34/30/598973430.db2.gz MIYSFYNTUYAOLG-MRXNPFEDSA-N 2 2 384.488 0.834 20 0 GCADLP CNC(=O)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc23)CC1 ZINC000736873355 599269644 /nfs/dbraw/zinc/26/96/44/599269644.db2.gz ISQNUOLQIJSIMG-UHFFFAOYSA-N 2 2 380.456 0.768 20 0 GCADLP C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736171524 598768109 /nfs/dbraw/zinc/76/81/09/598768109.db2.gz WVZIVBIBYDISBN-ZBFHGGJFSA-N 2 2 399.499 0.919 20 0 GCADLP C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736171524 598768112 /nfs/dbraw/zinc/76/81/12/598768112.db2.gz WVZIVBIBYDISBN-ZBFHGGJFSA-N 2 2 399.499 0.919 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736852100 598769343 /nfs/dbraw/zinc/76/93/43/598769343.db2.gz NJYSZIYHMZIVFA-OAHLLOKOSA-N 2 2 385.472 0.530 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736852100 598769346 /nfs/dbraw/zinc/76/93/46/598769346.db2.gz NJYSZIYHMZIVFA-OAHLLOKOSA-N 2 2 385.472 0.530 20 0 GCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570293 599318806 /nfs/dbraw/zinc/31/88/06/599318806.db2.gz XRSKDNUGTGGHNL-SFHVURJKSA-N 2 2 399.499 0.622 20 0 GCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570293 599318809 /nfs/dbraw/zinc/31/88/09/599318809.db2.gz XRSKDNUGTGGHNL-SFHVURJKSA-N 2 2 399.499 0.622 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570293 599318812 /nfs/dbraw/zinc/31/88/12/599318812.db2.gz XRSKDNUGTGGHNL-SFHVURJKSA-N 2 2 399.499 0.622 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570293 599318815 /nfs/dbraw/zinc/31/88/15/599318815.db2.gz XRSKDNUGTGGHNL-SFHVURJKSA-N 2 2 399.499 0.622 20 0 GCADLP COc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1-c1nn[nH]n1 ZINC000826202954 607568375 /nfs/dbraw/zinc/56/83/75/607568375.db2.gz UAFWZMQNZJPLLV-UHFFFAOYSA-N 2 2 395.471 0.707 20 0 GCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822699049 606067232 /nfs/dbraw/zinc/06/72/32/606067232.db2.gz MNJXQPAYLZLGFA-OAHLLOKOSA-N 2 2 384.444 0.162 20 0 GCADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000821702112 606067239 /nfs/dbraw/zinc/06/72/39/606067239.db2.gz HXFIJKSEWOTTTD-UHFFFAOYSA-N 2 2 384.444 0.810 20 0 GCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1-c1nn[nH]n1 ZINC000826073264 608020180 /nfs/dbraw/zinc/02/01/80/608020180.db2.gz LXYWWSFUURROMF-OAHLLOKOSA-N 2 2 397.487 0.853 20 0 GCADLP Cn1cc(C[NH2+]C2CC[NH+](CCO)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361296 609338746 /nfs/dbraw/zinc/33/87/46/609338746.db2.gz RZSFPRGZMJHTTK-UHFFFAOYSA-N 2 2 382.472 0.814 20 0 GCADLP COc1ccc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cc1-c1nn[nH]n1 ZINC000826206801 609499591 /nfs/dbraw/zinc/49/95/91/609499591.db2.gz LSZIGCSVVRESNC-OAHLLOKOSA-N 2 2 375.433 0.983 20 0 GCADLP COc1ccc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cc1-c1nn[nH]n1 ZINC000826206801 609499593 /nfs/dbraw/zinc/49/95/93/609499593.db2.gz LSZIGCSVVRESNC-OAHLLOKOSA-N 2 2 375.433 0.983 20 0 GCADLP CC[NH+](CC)CCN(C(=S)NC1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000920306588 639919344 /nfs/dbraw/zinc/91/93/44/639919344.db2.gz CJTZYKVSZXJRGM-MRXNPFEDSA-N 2 2 390.619 0.786 20 0 GCADLP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000923490528 640139308 /nfs/dbraw/zinc/13/93/08/640139308.db2.gz VBYLBOISKUQVOV-HUUCEWRRSA-N 2 2 385.555 0.935 20 0 GCADLP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000923490528 640139314 /nfs/dbraw/zinc/13/93/14/640139314.db2.gz VBYLBOISKUQVOV-HUUCEWRRSA-N 2 2 385.555 0.935 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000775150801 641066996 /nfs/dbraw/zinc/06/69/96/641066996.db2.gz KUAZKTKNCIRNLD-LBPRGKRZSA-N 2 2 391.343 0.971 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]1CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000775152899 641067650 /nfs/dbraw/zinc/06/76/50/641067650.db2.gz OYEMPHCURDUWMV-OCCSQVGLSA-N 2 2 391.343 0.923 20 0 GCADLP CN(C(=O)C(=O)NC[C@H]1CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000775152899 641067657 /nfs/dbraw/zinc/06/76/57/641067657.db2.gz OYEMPHCURDUWMV-OCCSQVGLSA-N 2 2 391.343 0.923 20 0 GCADLP Cn1cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(Br)n1 ZINC000866669151 641313419 /nfs/dbraw/zinc/31/34/19/641313419.db2.gz RSYGAUJCNMDMJD-OLZOCXBDSA-N 2 2 384.278 0.940 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866732010 641319790 /nfs/dbraw/zinc/31/97/90/641319790.db2.gz XAQJPKREGBSAPR-HSZRJFAPSA-N 2 2 376.548 0.813 20 0 GCADLP [NH3+][C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1cccc(Br)c1 ZINC000870939982 641448180 /nfs/dbraw/zinc/44/81/80/641448180.db2.gz DVIGHOXATKPRHH-HOCLYGCPSA-N 2 2 395.301 0.872 20 0 GCADLP O=S(=O)(N1CCOCC1)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873209784 641502577 /nfs/dbraw/zinc/50/25/77/641502577.db2.gz RFMJVYDRCJXEQK-UHFFFAOYSA-N 2 2 386.543 0.088 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876722322 641569192 /nfs/dbraw/zinc/56/91/92/641569192.db2.gz RUTVLDCZNIQZJD-OAHLLOKOSA-N 2 2 383.290 0.729 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CSCCS3)C2)CC1 ZINC000806209669 641642980 /nfs/dbraw/zinc/64/29/80/641642980.db2.gz GEEOVLWSPCWRND-DZGCQCFKSA-N 2 2 386.587 0.236 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CSCCS3)C2)CC1 ZINC000806209669 641642984 /nfs/dbraw/zinc/64/29/84/641642984.db2.gz GEEOVLWSPCWRND-DZGCQCFKSA-N 2 2 386.587 0.236 20 0 GCADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811877784 641763159 /nfs/dbraw/zinc/76/31/59/641763159.db2.gz DZAMOECUIWGWFW-OAHLLOKOSA-N 2 2 376.567 0.915 20 0 GCADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811877784 641763161 /nfs/dbraw/zinc/76/31/61/641763161.db2.gz DZAMOECUIWGWFW-OAHLLOKOSA-N 2 2 376.567 0.915 20 0 GCADLP C[NH+]1CC[C@H]1CNC(=O)c1oc(C(=O)NC[C@H]2CC[N@H+]2C)cc1Br ZINC000928554274 641948877 /nfs/dbraw/zinc/94/88/77/641948877.db2.gz GOJKOZOHOSSNRO-MNOVXSKESA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@H]1CNC(=O)c1oc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1Br ZINC000928554274 641948878 /nfs/dbraw/zinc/94/88/78/641948878.db2.gz GOJKOZOHOSSNRO-MNOVXSKESA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@@H]1CNC(=O)c1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+]2C)o1 ZINC000928554274 641948882 /nfs/dbraw/zinc/94/88/82/641948882.db2.gz GOJKOZOHOSSNRO-MNOVXSKESA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+]1CC[C@@H]1CNC(=O)c1cc(Br)c(C(=O)NC[C@@H]2CC[N@H+]2C)o1 ZINC000928554274 641948885 /nfs/dbraw/zinc/94/88/85/641948885.db2.gz GOJKOZOHOSSNRO-MNOVXSKESA-N 2 2 399.289 0.910 20 0 GCADLP C[NH+](C)Cc1csc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000929464086 641959606 /nfs/dbraw/zinc/95/96/06/641959606.db2.gz KFPNFEQYEJZKQO-MRXNPFEDSA-N 2 2 385.559 0.374 20 0 GCADLP CN(C(=O)CSC(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000823151918 642022692 /nfs/dbraw/zinc/02/26/92/642022692.db2.gz HTMBZLSKEZWFCH-UHFFFAOYSA-N 2 2 378.489 0.639 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000159700522 642052921 /nfs/dbraw/zinc/05/29/21/642052921.db2.gz FDKCSDIHZASHDA-XSLAGTTESA-N 2 2 376.563 0.587 20 0 GCADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000159700522 642052922 /nfs/dbraw/zinc/05/29/22/642052922.db2.gz FDKCSDIHZASHDA-XSLAGTTESA-N 2 2 376.563 0.587 20 0 GCADLP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000841214135 642291882 /nfs/dbraw/zinc/29/18/82/642291882.db2.gz ZULOEJKIQICGNW-LLVKDONJSA-N 2 2 398.305 0.603 20 0 GCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000843347299 642367918 /nfs/dbraw/zinc/36/79/18/642367918.db2.gz QHOQTLQJQIFZCG-ZDUSSCGKSA-N 2 2 375.441 0.970 20 0 GCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000843347299 642367922 /nfs/dbraw/zinc/36/79/22/642367922.db2.gz QHOQTLQJQIFZCG-ZDUSSCGKSA-N 2 2 375.441 0.970 20 0 GCADLP C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)[C@@H]1CC[NH3+] ZINC000652354477 1192202868 /nfs/dbraw/zinc/20/28/68/1192202868.db2.gz ZNODPJBALQRLIA-XJKSGUPXSA-N 2 2 380.514 0.672 20 0 GCADLP C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)[C@@H]1CC[NH3+] ZINC000652354477 1192202872 /nfs/dbraw/zinc/20/28/72/1192202872.db2.gz ZNODPJBALQRLIA-XJKSGUPXSA-N 2 2 380.514 0.672 20 0 GCADLP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000661987172 1192211616 /nfs/dbraw/zinc/21/16/16/1192211616.db2.gz NVQUOOAJERYXCG-KRWDZBQOSA-N 2 2 384.521 0.228 20 0 GCADLP O=C(CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662153108 1192248504 /nfs/dbraw/zinc/24/85/04/1192248504.db2.gz NYDZHJSDISARIB-IBGZPJMESA-N 2 2 392.569 0.923 20 0 GCADLP O=C(CN1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662153108 1192248506 /nfs/dbraw/zinc/24/85/06/1192248506.db2.gz NYDZHJSDISARIB-IBGZPJMESA-N 2 2 392.569 0.923 20 0 GCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663221851 1192254397 /nfs/dbraw/zinc/25/43/97/1192254397.db2.gz SEGAQSLPPGBBSP-HZPDHXFCSA-N 2 2 386.504 0.994 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(F)c3F)C2)CC1 ZINC000636707675 1192275171 /nfs/dbraw/zinc/27/51/71/1192275171.db2.gz QVJZBDXNZNJGMA-AWEZNQCLSA-N 2 2 380.439 0.866 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(F)c3F)C2)CC1 ZINC000636707675 1192275175 /nfs/dbraw/zinc/27/51/75/1192275175.db2.gz QVJZBDXNZNJGMA-AWEZNQCLSA-N 2 2 380.439 0.866 20 0 GCADLP COCCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000636707921 1192275219 /nfs/dbraw/zinc/27/52/19/1192275219.db2.gz WTQWJOWMTJCNAX-KRWDZBQOSA-N 2 2 380.533 0.546 20 0 GCADLP COCCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000636707921 1192275222 /nfs/dbraw/zinc/27/52/22/1192275222.db2.gz WTQWJOWMTJCNAX-KRWDZBQOSA-N 2 2 380.533 0.546 20 0 GCADLP CC[C@H]([NH2+]C)C(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000662442939 1192296146 /nfs/dbraw/zinc/29/61/46/1192296146.db2.gz WBCNASIFHYZIBZ-FQEVSTJZSA-N 2 2 390.528 0.886 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662671023 1192325658 /nfs/dbraw/zinc/32/56/58/1192325658.db2.gz KCMXUYQMIKPYCX-HNNXBMFYSA-N 2 2 383.378 0.554 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)CO1 ZINC000663546529 1192383071 /nfs/dbraw/zinc/38/30/71/1192383071.db2.gz NVXWHKIQPMYCBP-IRXDYDNUSA-N 2 2 390.532 0.742 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)CO1 ZINC000663546529 1192383075 /nfs/dbraw/zinc/38/30/75/1192383075.db2.gz NVXWHKIQPMYCBP-IRXDYDNUSA-N 2 2 390.532 0.742 20 0 GCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC2)cc[nH+]1 ZINC000643532425 1192382102 /nfs/dbraw/zinc/38/21/02/1192382102.db2.gz YVFIYYMJFAMKOC-UHFFFAOYSA-N 2 2 386.500 0.426 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)CO1 ZINC000663587970 1192404067 /nfs/dbraw/zinc/40/40/67/1192404067.db2.gz CLCXBSMKQFOMKZ-DLBZAZTESA-N 2 2 390.532 0.742 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)CO1 ZINC000663587970 1192404070 /nfs/dbraw/zinc/40/40/70/1192404070.db2.gz CLCXBSMKQFOMKZ-DLBZAZTESA-N 2 2 390.532 0.742 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663620118 1192421630 /nfs/dbraw/zinc/42/16/30/1192421630.db2.gz IRXBXQPKANJFMU-KRWDZBQOSA-N 2 2 381.521 0.047 20 0 GCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000637202198 1192430471 /nfs/dbraw/zinc/43/04/71/1192430471.db2.gz ICJXCLGCCFSTPC-FQEVSTJZSA-N 2 2 380.533 0.918 20 0 GCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000637202198 1192430473 /nfs/dbraw/zinc/43/04/73/1192430473.db2.gz ICJXCLGCCFSTPC-FQEVSTJZSA-N 2 2 380.533 0.918 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)CC1 ZINC000050803110 1192501872 /nfs/dbraw/zinc/50/18/72/1192501872.db2.gz YWWWKANVWBYNJO-UHFFFAOYSA-N 2 2 391.516 0.526 20 0 GCADLP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000187167476 1192519086 /nfs/dbraw/zinc/51/90/86/1192519086.db2.gz MCBZQQPMZCFOAL-FQEVSTJZSA-N 2 2 390.528 0.951 20 0 GCADLP O=C(NCC[N@H+]1CCCOCC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000187167476 1192519088 /nfs/dbraw/zinc/51/90/88/1192519088.db2.gz MCBZQQPMZCFOAL-FQEVSTJZSA-N 2 2 390.528 0.951 20 0 GCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000637376683 1192519738 /nfs/dbraw/zinc/51/97/38/1192519738.db2.gz UIIYNYCWZJFLFR-INIZCTEOSA-N 2 2 379.530 0.915 20 0 GCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000637376683 1192519742 /nfs/dbraw/zinc/51/97/42/1192519742.db2.gz UIIYNYCWZJFLFR-INIZCTEOSA-N 2 2 379.530 0.915 20 0 GCADLP CC(C)[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000432543257 1192548651 /nfs/dbraw/zinc/54/86/51/1192548651.db2.gz SRTDDJAYCMJZGI-AQNXPRMDSA-N 2 2 398.592 0.627 20 0 GCADLP CC(C)[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000432543260 1192548771 /nfs/dbraw/zinc/54/87/71/1192548771.db2.gz SRTDDJAYCMJZGI-ZCNNSNEGSA-N 2 2 398.592 0.627 20 0 GCADLP CC(C)[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000432543260 1192548772 /nfs/dbraw/zinc/54/87/72/1192548772.db2.gz SRTDDJAYCMJZGI-ZCNNSNEGSA-N 2 2 398.592 0.627 20 0 GCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000418615028 1192617324 /nfs/dbraw/zinc/61/73/24/1192617324.db2.gz LHPQNOGOTBLUFT-UONOGXRCSA-N 2 2 381.443 0.233 20 0 GCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000418615028 1192617328 /nfs/dbraw/zinc/61/73/28/1192617328.db2.gz LHPQNOGOTBLUFT-UONOGXRCSA-N 2 2 381.443 0.233 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418774335 1192642142 /nfs/dbraw/zinc/64/21/42/1192642142.db2.gz VDZDSBJNHTZGJT-MJGOQNOKSA-N 2 2 376.501 0.907 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824903 1192656779 /nfs/dbraw/zinc/65/67/79/1192656779.db2.gz DOEDZGZJGJQBOW-MOPGFXCFSA-N 2 2 388.512 0.604 20 0 GCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824903 1192656782 /nfs/dbraw/zinc/65/67/82/1192656782.db2.gz DOEDZGZJGJQBOW-MOPGFXCFSA-N 2 2 388.512 0.604 20 0 GCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418834625 1192660785 /nfs/dbraw/zinc/66/07/85/1192660785.db2.gz OWXWQDIYNGFQMF-KRWDZBQOSA-N 2 2 376.501 0.447 20 0 GCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418834625 1192660789 /nfs/dbraw/zinc/66/07/89/1192660789.db2.gz OWXWQDIYNGFQMF-KRWDZBQOSA-N 2 2 376.501 0.447 20 0 GCADLP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000418835971 1192661150 /nfs/dbraw/zinc/66/11/50/1192661150.db2.gz QOPDIYSEFHPMQV-RTBURBONSA-N 2 2 388.512 0.637 20 0 GCADLP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000418835971 1192661157 /nfs/dbraw/zinc/66/11/57/1192661157.db2.gz QOPDIYSEFHPMQV-RTBURBONSA-N 2 2 388.512 0.637 20 0 GCADLP COc1cccc([C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]2CCCC2)c1 ZINC000418881292 1192678113 /nfs/dbraw/zinc/67/81/13/1192678113.db2.gz WYIVKHPKIYERBG-OAHLLOKOSA-N 2 2 384.427 0.659 20 0 GCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418910329 1192687011 /nfs/dbraw/zinc/68/70/11/1192687011.db2.gz ULDXTZZJLYLXLY-YOEHRIQHSA-N 2 2 385.468 0.777 20 0 GCADLP C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000418910176 1192687103 /nfs/dbraw/zinc/68/71/03/1192687103.db2.gz JWZKXRSEPLZISX-UHFFFAOYSA-N 2 2 388.512 0.593 20 0 GCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418932788 1192694802 /nfs/dbraw/zinc/69/48/02/1192694802.db2.gz AJXOZRAWQDYEHI-NUEKZKHPSA-N 2 2 376.526 0.727 20 0 GCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418932788 1192694804 /nfs/dbraw/zinc/69/48/04/1192694804.db2.gz AJXOZRAWQDYEHI-NUEKZKHPSA-N 2 2 376.526 0.727 20 0 GCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)cc(OC)c1 ZINC000418961911 1192702856 /nfs/dbraw/zinc/70/28/56/1192702856.db2.gz KFGQVYQQUADFOU-GOEBONIOSA-N 2 2 390.484 0.215 20 0 GCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)cc(OC)c1 ZINC000418961911 1192702857 /nfs/dbraw/zinc/70/28/57/1192702857.db2.gz KFGQVYQQUADFOU-GOEBONIOSA-N 2 2 390.484 0.215 20 0 GCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)cc(OC)c1 ZINC000418961913 1192703181 /nfs/dbraw/zinc/70/31/81/1192703181.db2.gz KFGQVYQQUADFOU-ZBFHGGJFSA-N 2 2 390.484 0.215 20 0 GCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)cc(OC)c1 ZINC000418961913 1192703185 /nfs/dbraw/zinc/70/31/85/1192703185.db2.gz KFGQVYQQUADFOU-ZBFHGGJFSA-N 2 2 390.484 0.215 20 0 GCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000410573492 1192724221 /nfs/dbraw/zinc/72/42/21/1192724221.db2.gz PDMGONXMILOHRP-ADKAHSJRSA-N 2 2 380.533 0.234 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631833 1192774864 /nfs/dbraw/zinc/77/48/64/1192774864.db2.gz OHFOVTKDEVQEAK-ZIFCJYIRSA-N 2 2 394.560 0.744 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631833 1192774869 /nfs/dbraw/zinc/77/48/69/1192774869.db2.gz OHFOVTKDEVQEAK-ZIFCJYIRSA-N 2 2 394.560 0.744 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631833 1192774873 /nfs/dbraw/zinc/77/48/73/1192774873.db2.gz OHFOVTKDEVQEAK-ZIFCJYIRSA-N 2 2 394.560 0.744 20 0 GCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631833 1192774877 /nfs/dbraw/zinc/77/48/77/1192774877.db2.gz OHFOVTKDEVQEAK-ZIFCJYIRSA-N 2 2 394.560 0.744 20 0 GCADLP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419101578 1192786518 /nfs/dbraw/zinc/78/65/18/1192786518.db2.gz HWPPLEFHWDRTDU-CQSZACIVSA-N 2 2 381.908 0.289 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000419107208 1192789018 /nfs/dbraw/zinc/78/90/18/1192789018.db2.gz DZICXTPWVJZJPK-OAHLLOKOSA-N 2 2 387.484 0.026 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419107677 1192790116 /nfs/dbraw/zinc/79/01/16/1192790116.db2.gz PNFWIXPZQHTVTR-KRWDZBQOSA-N 2 2 395.935 0.678 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000419111540 1192791263 /nfs/dbraw/zinc/79/12/63/1192791263.db2.gz DKWCTLSKSVVEAQ-XWTMOSNGSA-N 2 2 380.533 0.435 20 0 GCADLP CCC[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000500804756 1192794697 /nfs/dbraw/zinc/79/46/97/1192794697.db2.gz KWLXLCGXRXRXDH-KRWDZBQOSA-N 2 2 383.537 0.293 20 0 GCADLP CCC[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000500804756 1192794699 /nfs/dbraw/zinc/79/46/99/1192794699.db2.gz KWLXLCGXRXRXDH-KRWDZBQOSA-N 2 2 383.537 0.293 20 0 GCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000419116047 1192801008 /nfs/dbraw/zinc/80/10/08/1192801008.db2.gz ZEEDNFXHCFDELT-MRXNPFEDSA-N 2 2 393.919 0.528 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCOCC1 ZINC000419117658 1192802880 /nfs/dbraw/zinc/80/28/80/1192802880.db2.gz MPNXFOBDSZJPBF-IBGZPJMESA-N 2 2 394.560 0.840 20 0 GCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419140006 1192812332 /nfs/dbraw/zinc/81/23/32/1192812332.db2.gz VGTHHEFZVZNADV-IRXDYDNUSA-N 2 2 390.532 0.342 20 0 GCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000419159457 1192817506 /nfs/dbraw/zinc/81/75/06/1192817506.db2.gz ZDPGMBYRNZVBJF-KRWDZBQOSA-N 2 2 392.500 0.113 20 0 GCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410697660 1192835343 /nfs/dbraw/zinc/83/53/43/1192835343.db2.gz LPTGQEJXBNLUMZ-QGZVFWFLSA-N 2 2 375.517 1.000 20 0 GCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410697660 1192835354 /nfs/dbraw/zinc/83/53/54/1192835354.db2.gz LPTGQEJXBNLUMZ-QGZVFWFLSA-N 2 2 375.517 1.000 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000410719670 1192849043 /nfs/dbraw/zinc/84/90/43/1192849043.db2.gz ZKWMCPCYEIHMSL-GOSISDBHSA-N 2 2 382.549 0.888 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000410719670 1192849049 /nfs/dbraw/zinc/84/90/49/1192849049.db2.gz ZKWMCPCYEIHMSL-GOSISDBHSA-N 2 2 382.549 0.888 20 0 GCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410723656 1192851484 /nfs/dbraw/zinc/85/14/84/1192851484.db2.gz HHDPKEWMGWQBMV-DLBZAZTESA-N 2 2 382.549 0.887 20 0 GCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410723656 1192851490 /nfs/dbraw/zinc/85/14/90/1192851490.db2.gz HHDPKEWMGWQBMV-DLBZAZTESA-N 2 2 382.549 0.887 20 0 GCADLP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410723656 1192851499 /nfs/dbraw/zinc/85/14/99/1192851499.db2.gz HHDPKEWMGWQBMV-DLBZAZTESA-N 2 2 382.549 0.887 20 0 GCADLP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410723656 1192851506 /nfs/dbraw/zinc/85/15/06/1192851506.db2.gz HHDPKEWMGWQBMV-DLBZAZTESA-N 2 2 382.549 0.887 20 0 GCADLP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894019149 1192892185 /nfs/dbraw/zinc/89/21/85/1192892185.db2.gz SSEVLBLMLOJMSY-GDBMZVCRSA-N 2 2 377.489 0.374 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)[C@H](C)C1 ZINC000410937182 1192917033 /nfs/dbraw/zinc/91/70/33/1192917033.db2.gz JWACOUJNFQBLJG-OXQOHEQNSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)[C@H](C)C1 ZINC000410937182 1192917034 /nfs/dbraw/zinc/91/70/34/1192917034.db2.gz JWACOUJNFQBLJG-OXQOHEQNSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)[C@H](C)C1 ZINC000410937182 1192917038 /nfs/dbraw/zinc/91/70/38/1192917038.db2.gz JWACOUJNFQBLJG-OXQOHEQNSA-N 2 2 394.516 0.027 20 0 GCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)[C@H](C)C1 ZINC000410937182 1192917039 /nfs/dbraw/zinc/91/70/39/1192917039.db2.gz JWACOUJNFQBLJG-OXQOHEQNSA-N 2 2 394.516 0.027 20 0 GCADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000246313890 1192922644 /nfs/dbraw/zinc/92/26/44/1192922644.db2.gz DPJIRBMERCAEHQ-KKUMJFAQSA-N 2 2 382.530 0.783 20 0 GCADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000246313890 1192922645 /nfs/dbraw/zinc/92/26/45/1192922645.db2.gz DPJIRBMERCAEHQ-KKUMJFAQSA-N 2 2 382.530 0.783 20 0 GCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)c1 ZINC000579690814 1184091251 /nfs/dbraw/zinc/09/12/51/1184091251.db2.gz BOQPIUFGOGYJIX-SJLPKXTDSA-N 2 2 375.517 0.987 20 0 GCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[C@H]1[NH3+] ZINC000579713007 1184103995 /nfs/dbraw/zinc/10/39/95/1184103995.db2.gz TXCHAGJTCXOZGQ-GDBMZVCRSA-N 2 2 398.504 0.328 20 0 GCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[C@H]1[NH3+] ZINC000579713007 1184104000 /nfs/dbraw/zinc/10/40/00/1184104000.db2.gz TXCHAGJTCXOZGQ-GDBMZVCRSA-N 2 2 398.504 0.328 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000579757035 1184135090 /nfs/dbraw/zinc/13/50/90/1184135090.db2.gz WXVJZMUDHAIFKD-FUHWJXTLSA-N 2 2 380.533 0.545 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000579757035 1184135093 /nfs/dbraw/zinc/13/50/93/1184135093.db2.gz WXVJZMUDHAIFKD-FUHWJXTLSA-N 2 2 380.533 0.545 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000579757037 1184135660 /nfs/dbraw/zinc/13/56/60/1184135660.db2.gz WXVJZMUDHAIFKD-WMZOPIPTSA-N 2 2 380.533 0.545 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000579757037 1184135666 /nfs/dbraw/zinc/13/56/66/1184135666.db2.gz WXVJZMUDHAIFKD-WMZOPIPTSA-N 2 2 380.533 0.545 20 0 GCADLP COC(=O)CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(OC)OC ZINC000274644704 1184140760 /nfs/dbraw/zinc/14/07/60/1184140760.db2.gz LSGMJQXGGRFMBA-QGZVFWFLSA-N 2 2 395.500 0.890 20 0 GCADLP COC(=O)CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(OC)OC ZINC000274644704 1184140761 /nfs/dbraw/zinc/14/07/61/1184140761.db2.gz LSGMJQXGGRFMBA-QGZVFWFLSA-N 2 2 395.500 0.890 20 0 GCADLP CN(C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1)S(C)(=O)=O ZINC000274653130 1184149819 /nfs/dbraw/zinc/14/98/19/1184149819.db2.gz NQEPNWFZDZVFAQ-SFHVURJKSA-N 2 2 396.557 0.761 20 0 GCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000418579200 1184227625 /nfs/dbraw/zinc/22/76/25/1184227625.db2.gz JTBOBOZRCJHHED-CVEARBPZSA-N 2 2 389.504 0.415 20 0 GCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000418579200 1184227633 /nfs/dbraw/zinc/22/76/33/1184227633.db2.gz JTBOBOZRCJHHED-CVEARBPZSA-N 2 2 389.504 0.415 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000520857157 1184274165 /nfs/dbraw/zinc/27/41/65/1184274165.db2.gz JWSHJPKRKCQQJL-UHFFFAOYSA-N 3 2 381.565 0.319 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000520857157 1184274172 /nfs/dbraw/zinc/27/41/72/1184274172.db2.gz JWSHJPKRKCQQJL-UHFFFAOYSA-N 3 2 381.565 0.319 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000245941381 1184366652 /nfs/dbraw/zinc/36/66/52/1184366652.db2.gz VCTCYENGMSMGQB-QZTJIDSGSA-N 2 2 379.549 0.215 20 0 GCADLP C[N@H+](CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000547732371 1184433374 /nfs/dbraw/zinc/43/33/74/1184433374.db2.gz OBRVTKKLSGAGGN-QGZVFWFLSA-N 2 2 380.533 0.690 20 0 GCADLP C[N@@H+](CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000547732371 1184433376 /nfs/dbraw/zinc/43/33/76/1184433376.db2.gz OBRVTKKLSGAGGN-QGZVFWFLSA-N 2 2 380.533 0.690 20 0 GCADLP CN1CC[NH+](CC2CCN(C(=O)NCC(C)(C)[NH+]3CCN(C)CC3)CC2)CC1 ZINC000683373871 1184610731 /nfs/dbraw/zinc/61/07/31/1184610731.db2.gz LIQFONFDCKSRLL-UHFFFAOYSA-N 2 2 394.608 0.681 20 0 GCADLP NC(=O)[C@@H]1CCCN1c1cc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH+]cn1 ZINC001167208367 1184636220 /nfs/dbraw/zinc/63/62/20/1184636220.db2.gz YHWMNURNQCCFFC-WWMYMODYSA-N 2 2 378.480 0.908 20 0 GCADLP NC(=O)[C@@H]1CCCN1c1cc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc[nH+]1 ZINC001167208367 1184636224 /nfs/dbraw/zinc/63/62/24/1184636224.db2.gz YHWMNURNQCCFFC-WWMYMODYSA-N 2 2 378.480 0.908 20 0 GCADLP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)[C@H]3C2)cn1 ZINC001083198453 1184666457 /nfs/dbraw/zinc/66/64/57/1184666457.db2.gz VWXXEWRVWGCVLK-ZAWLATJESA-N 2 2 384.484 0.411 20 0 GCADLP Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)[C@H]3C2)cn1 ZINC001083198453 1184666461 /nfs/dbraw/zinc/66/64/61/1184666461.db2.gz VWXXEWRVWGCVLK-ZAWLATJESA-N 2 2 384.484 0.411 20 0 GCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)CC1 ZINC000970270410 1184769441 /nfs/dbraw/zinc/76/94/41/1184769441.db2.gz RPRKAOOMECNMPX-AHCXZYCDSA-N 2 2 389.500 0.322 20 0 GCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)CC1 ZINC000970270410 1184769443 /nfs/dbraw/zinc/76/94/43/1184769443.db2.gz RPRKAOOMECNMPX-AHCXZYCDSA-N 2 2 389.500 0.322 20 0 GCADLP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000579954446 1184823148 /nfs/dbraw/zinc/82/31/48/1184823148.db2.gz YQBGOLXCERZMRM-GOSISDBHSA-N 3 2 391.560 0.073 20 0 GCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000246369327 1184855273 /nfs/dbraw/zinc/85/52/73/1184855273.db2.gz HFXRHCSRZKSNPQ-ZWKOTPCHSA-N 2 2 389.548 0.970 20 0 GCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000246369327 1184855280 /nfs/dbraw/zinc/85/52/80/1184855280.db2.gz HFXRHCSRZKSNPQ-ZWKOTPCHSA-N 2 2 389.548 0.970 20 0 GCADLP COCCO[C@@H]1C[C@@H](CO)CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000683699542 1184908718 /nfs/dbraw/zinc/90/87/18/1184908718.db2.gz MMFJHQQMBJWDER-ZHALLVOQSA-N 2 2 398.548 0.210 20 0 GCADLP COCCO[C@@H]1C[C@@H](CO)CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000683699542 1184908720 /nfs/dbraw/zinc/90/87/20/1184908720.db2.gz MMFJHQQMBJWDER-ZHALLVOQSA-N 2 2 398.548 0.210 20 0 GCADLP COC(=O)c1ccccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000275682971 1184927014 /nfs/dbraw/zinc/92/70/14/1184927014.db2.gz LHUCXTJFLFZQRK-UHFFFAOYSA-N 2 2 390.484 0.896 20 0 GCADLP COC(=O)c1ccccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275682971 1184927016 /nfs/dbraw/zinc/92/70/16/1184927016.db2.gz LHUCXTJFLFZQRK-UHFFFAOYSA-N 2 2 390.484 0.896 20 0 GCADLP Cc1cnc(CCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000656065969 1184997808 /nfs/dbraw/zinc/99/78/08/1184997808.db2.gz UNEUSASADFPQTH-UHFFFAOYSA-N 2 2 389.544 0.842 20 0 GCADLP Cc1cnc(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000656065969 1184997809 /nfs/dbraw/zinc/99/78/09/1184997809.db2.gz UNEUSASADFPQTH-UHFFFAOYSA-N 2 2 389.544 0.842 20 0 GCADLP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000275786264 1185052847 /nfs/dbraw/zinc/05/28/47/1185052847.db2.gz FXVVBDBMVQHMPF-SFHVURJKSA-N 2 2 388.512 0.910 20 0 GCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000580079659 1185053834 /nfs/dbraw/zinc/05/38/34/1185053834.db2.gz YPEMKYNWIGMAER-IEBWSBKVSA-N 2 2 388.512 0.604 20 0 GCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000683878105 1185172050 /nfs/dbraw/zinc/17/20/50/1185172050.db2.gz JQFXAWFDJBYIPD-OAHLLOKOSA-N 2 2 398.467 0.918 20 0 GCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000683878105 1185172055 /nfs/dbraw/zinc/17/20/55/1185172055.db2.gz JQFXAWFDJBYIPD-OAHLLOKOSA-N 2 2 398.467 0.918 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000580458434 1185236937 /nfs/dbraw/zinc/23/69/37/1185236937.db2.gz PIQYWDKUYRQVKM-SFHVURJKSA-N 2 2 389.544 0.234 20 0 GCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000580458434 1185236940 /nfs/dbraw/zinc/23/69/40/1185236940.db2.gz PIQYWDKUYRQVKM-SFHVURJKSA-N 2 2 389.544 0.234 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275905732 1185265344 /nfs/dbraw/zinc/26/53/44/1185265344.db2.gz IWAQITMXNNUUIA-HOTGVXAUSA-N 2 2 376.505 0.432 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275905732 1185265347 /nfs/dbraw/zinc/26/53/47/1185265347.db2.gz IWAQITMXNNUUIA-HOTGVXAUSA-N 2 2 376.505 0.432 20 0 GCADLP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000564605500 1185277735 /nfs/dbraw/zinc/27/77/35/1185277735.db2.gz OYEVIIDYGIUNFR-WMZOPIPTSA-N 2 2 382.549 0.791 20 0 GCADLP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000564605500 1185277742 /nfs/dbraw/zinc/27/77/42/1185277742.db2.gz OYEVIIDYGIUNFR-WMZOPIPTSA-N 2 2 382.549 0.791 20 0 GCADLP COc1ccc(S(=O)(=O)N2CC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000656254699 1185280954 /nfs/dbraw/zinc/28/09/54/1185280954.db2.gz APEAPJLLUWYROM-KRWDZBQOSA-N 2 2 395.525 0.911 20 0 GCADLP c1ncc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1C[NH+]1CCN2CCOC[C@H]2C1 ZINC000580755125 1185345236 /nfs/dbraw/zinc/34/52/36/1185345236.db2.gz HRZZFSXRVMDPSY-OYRHEFFESA-N 2 2 387.528 0.114 20 0 GCADLP c1ncc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1C[NH+]1CCN2CCOC[C@H]2C1 ZINC000580755125 1185345240 /nfs/dbraw/zinc/34/52/40/1185345240.db2.gz HRZZFSXRVMDPSY-OYRHEFFESA-N 2 2 387.528 0.114 20 0 GCADLP c1ncc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000580755125 1185345243 /nfs/dbraw/zinc/34/52/43/1185345243.db2.gz HRZZFSXRVMDPSY-OYRHEFFESA-N 2 2 387.528 0.114 20 0 GCADLP c1ncc(C[N@H+]2CCN3CCOC[C@H]3C2)cc1C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000580755125 1185345247 /nfs/dbraw/zinc/34/52/47/1185345247.db2.gz HRZZFSXRVMDPSY-OYRHEFFESA-N 2 2 387.528 0.114 20 0 GCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000656300993 1185368136 /nfs/dbraw/zinc/36/81/36/1185368136.db2.gz WUVWYNNJWMXIGJ-KRWDZBQOSA-N 2 2 381.565 0.319 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304306 1185377950 /nfs/dbraw/zinc/37/79/50/1185377950.db2.gz VXOVYTJCIPTCII-ILOCAZANSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304306 1185377956 /nfs/dbraw/zinc/37/79/56/1185377956.db2.gz VXOVYTJCIPTCII-ILOCAZANSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304306 1185377963 /nfs/dbraw/zinc/37/79/63/1185377963.db2.gz VXOVYTJCIPTCII-ILOCAZANSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656304306 1185377971 /nfs/dbraw/zinc/37/79/71/1185377971.db2.gz VXOVYTJCIPTCII-ILOCAZANSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000656304618 1185379042 /nfs/dbraw/zinc/37/90/42/1185379042.db2.gz CWQBDNPFXIATTO-TVFCKZIOSA-N 2 2 382.549 0.837 20 0 GCADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000656304618 1185379049 /nfs/dbraw/zinc/37/90/49/1185379049.db2.gz CWQBDNPFXIATTO-TVFCKZIOSA-N 2 2 382.549 0.837 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000580834645 1185391103 /nfs/dbraw/zinc/39/11/03/1185391103.db2.gz OOLBNMJSKALBLR-JQFCIGGWSA-N 2 2 380.514 0.935 20 0 GCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000580834645 1185391112 /nfs/dbraw/zinc/39/11/12/1185391112.db2.gz OOLBNMJSKALBLR-JQFCIGGWSA-N 2 2 380.514 0.935 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000656315953 1185401206 /nfs/dbraw/zinc/40/12/06/1185401206.db2.gz NRIJLPWRGCTUAC-WDSOQIARSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000656315953 1185401210 /nfs/dbraw/zinc/40/12/10/1185401210.db2.gz NRIJLPWRGCTUAC-WDSOQIARSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315953 1185401213 /nfs/dbraw/zinc/40/12/13/1185401213.db2.gz NRIJLPWRGCTUAC-WDSOQIARSA-N 3 2 391.560 0.404 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315953 1185401216 /nfs/dbraw/zinc/40/12/16/1185401216.db2.gz NRIJLPWRGCTUAC-WDSOQIARSA-N 3 2 391.560 0.404 20 0 GCADLP CN(C)C(=O)N1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000127499529 1185417047 /nfs/dbraw/zinc/41/70/47/1185417047.db2.gz MVUPETGTBGRCBE-UHFFFAOYSA-N 2 2 380.537 0.554 20 0 GCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000656366480 1185478605 /nfs/dbraw/zinc/47/86/05/1185478605.db2.gz JKKDYGKMKDXUAQ-QZTJIDSGSA-N 2 2 396.532 0.108 20 0 GCADLP C[NH+]1CCC(NC(=O)C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)CC1 ZINC000933086031 1185494053 /nfs/dbraw/zinc/49/40/53/1185494053.db2.gz LLDSVPXIEIABGU-UHFFFAOYSA-N 2 2 386.562 0.477 20 0 GCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000581193014 1185526683 /nfs/dbraw/zinc/52/66/83/1185526683.db2.gz DTLUEQMMARUQHH-DOTOQJQBSA-N 2 2 379.526 0.790 20 0 GCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000581193014 1185526691 /nfs/dbraw/zinc/52/66/91/1185526691.db2.gz DTLUEQMMARUQHH-DOTOQJQBSA-N 2 2 379.526 0.790 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000581193016 1185527213 /nfs/dbraw/zinc/52/72/13/1185527213.db2.gz DTLUEQMMARUQHH-NVXWUHKLSA-N 2 2 379.526 0.790 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000581193016 1185527217 /nfs/dbraw/zinc/52/72/17/1185527217.db2.gz DTLUEQMMARUQHH-NVXWUHKLSA-N 2 2 379.526 0.790 20 0 GCADLP CN(C(=O)C(=O)NCc1cncc(O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000933118157 1185550140 /nfs/dbraw/zinc/55/01/40/1185550140.db2.gz UXGGUJJEBPAOLU-MRXNPFEDSA-N 2 2 375.473 0.030 20 0 GCADLP CN(C(=O)C(=O)NCc1cncc(O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000933118157 1185550146 /nfs/dbraw/zinc/55/01/46/1185550146.db2.gz UXGGUJJEBPAOLU-MRXNPFEDSA-N 2 2 375.473 0.030 20 0 GCADLP COc1ccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)cc1S(=O)(=O)N(C)C ZINC000430564435 1185610442 /nfs/dbraw/zinc/61/04/42/1185610442.db2.gz BCMKYSIPAWEJRK-QGZVFWFLSA-N 2 2 384.502 0.601 20 0 GCADLP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000430568435 1185616477 /nfs/dbraw/zinc/61/64/77/1185616477.db2.gz CFMZWIQRKZNDGE-CVEARBPZSA-N 2 2 380.514 0.209 20 0 GCADLP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000430568435 1185616488 /nfs/dbraw/zinc/61/64/88/1185616488.db2.gz CFMZWIQRKZNDGE-CVEARBPZSA-N 2 2 380.514 0.209 20 0 GCADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000430577027 1185628688 /nfs/dbraw/zinc/62/86/88/1185628688.db2.gz BQERNIHGEKLEFE-GOSISDBHSA-N 2 2 396.513 0.363 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000276202590 1185681538 /nfs/dbraw/zinc/68/15/38/1185681538.db2.gz ZEHOVZYEUZPLQC-PBHICJAKSA-N 2 2 389.500 0.964 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000276202590 1185681540 /nfs/dbraw/zinc/68/15/40/1185681540.db2.gz ZEHOVZYEUZPLQC-PBHICJAKSA-N 2 2 389.500 0.964 20 0 GCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000891411359 1185711028 /nfs/dbraw/zinc/71/10/28/1185711028.db2.gz HGUIPCFFXSBUGX-QFBILLFUSA-N 2 2 398.573 0.652 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@H]1C(F)(F)F ZINC000891412277 1185711561 /nfs/dbraw/zinc/71/15/61/1185711561.db2.gz WRXRZJOJAUAMHP-UMVBOHGHSA-N 2 2 396.479 0.973 20 0 GCADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581499325 1185729945 /nfs/dbraw/zinc/72/99/45/1185729945.db2.gz ASPOUYXTDVMRJL-KMFMINBZSA-N 2 2 394.903 0.810 20 0 GCADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581499325 1185729952 /nfs/dbraw/zinc/72/99/52/1185729952.db2.gz ASPOUYXTDVMRJL-KMFMINBZSA-N 2 2 394.903 0.810 20 0 GCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581542768 1185751495 /nfs/dbraw/zinc/75/14/95/1185751495.db2.gz PSLGRRKXHJVVLG-RDJZCZTQSA-N 2 2 383.514 0.737 20 0 GCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581542766 1185751757 /nfs/dbraw/zinc/75/17/57/1185751757.db2.gz PSLGRRKXHJVVLG-DOTOQJQBSA-N 2 2 383.514 0.737 20 0 GCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581542767 1185752066 /nfs/dbraw/zinc/75/20/66/1185752066.db2.gz PSLGRRKXHJVVLG-NVXWUHKLSA-N 2 2 383.514 0.737 20 0 GCADLP C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000430617697 1185786536 /nfs/dbraw/zinc/78/65/36/1185786536.db2.gz OJYRPGPQHZDZAU-GOEBONIOSA-N 2 2 386.504 0.214 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430619192 1185795662 /nfs/dbraw/zinc/79/56/62/1185795662.db2.gz ZSCMVWYYDRYDQL-ZBFHGGJFSA-N 2 2 382.530 0.313 20 0 GCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430619192 1185795666 /nfs/dbraw/zinc/79/56/66/1185795666.db2.gz ZSCMVWYYDRYDQL-ZBFHGGJFSA-N 2 2 382.530 0.313 20 0 GCADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430642681 1185852846 /nfs/dbraw/zinc/85/28/46/1185852846.db2.gz KPOGXCYPUSVKIE-OAHLLOKOSA-N 2 2 390.484 0.786 20 0 GCADLP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430642681 1185852853 /nfs/dbraw/zinc/85/28/53/1185852853.db2.gz KPOGXCYPUSVKIE-OAHLLOKOSA-N 2 2 390.484 0.786 20 0 GCADLP C[C@@H]1CN(CCCCC[N@H+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)C[NH+]1CCO ZINC000581734419 1185871310 /nfs/dbraw/zinc/87/13/10/1185871310.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1CN(CCCCC[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)C[NH+]1CCO ZINC000581734419 1185871316 /nfs/dbraw/zinc/87/13/16/1185871316.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1CN(CCCCC[NH+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)C[N@H+]1CCO ZINC000581734419 1185871322 /nfs/dbraw/zinc/87/13/22/1185871322.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1CN(CCCCC[NH+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)C[N@@H+]1CCO ZINC000581734419 1185871328 /nfs/dbraw/zinc/87/13/28/1185871328.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[N@H+](CCCCCN2C[C@H](C)[NH+](CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000581734419 1185871333 /nfs/dbraw/zinc/87/13/33/1185871333.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[N@@H+](CCCCCN2C[C@H](C)[NH+](CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000581734419 1185871340 /nfs/dbraw/zinc/87/13/40/1185871340.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCCCCN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000581734419 1185871349 /nfs/dbraw/zinc/87/13/49/1185871349.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 2 384.609 0.931 20 0 GCADLP C[C@@H]1C[NH+](CCCCCN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000581734419 1185871355 /nfs/dbraw/zinc/87/13/55/1185871355.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 2 384.609 0.931 20 0 GCADLP CN1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+](C)CC1 ZINC000891502060 1185896715 /nfs/dbraw/zinc/89/67/15/1185896715.db2.gz VBJFAQFNGFOOMW-UHFFFAOYSA-N 2 2 381.565 0.910 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000292996679 1185903502 /nfs/dbraw/zinc/90/35/02/1185903502.db2.gz CPJNDBYAPIVNHU-OAHLLOKOSA-N 2 2 387.488 0.106 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000292996679 1185903505 /nfs/dbraw/zinc/90/35/05/1185903505.db2.gz CPJNDBYAPIVNHU-OAHLLOKOSA-N 2 2 387.488 0.106 20 0 GCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000891537991 1185909480 /nfs/dbraw/zinc/90/94/80/1185909480.db2.gz PTFALFSPHHPLRL-GOSISDBHSA-N 2 2 386.562 0.671 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)CC1 ZINC000891558981 1185918581 /nfs/dbraw/zinc/91/85/81/1185918581.db2.gz CKJRYCSOHYJYTF-KCQAQPDRSA-N 3 2 377.455 0.934 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)CC1 ZINC000891558981 1185918583 /nfs/dbraw/zinc/91/85/83/1185918583.db2.gz CKJRYCSOHYJYTF-KCQAQPDRSA-N 3 2 377.455 0.934 20 0 GCADLP C[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)C[NH+](C)C ZINC000085359521 1185989212 /nfs/dbraw/zinc/98/92/12/1185989212.db2.gz FTXBTLBSDDXHLQ-MRXNPFEDSA-N 2 2 377.537 0.874 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000430768451 1186027466 /nfs/dbraw/zinc/02/74/66/1186027466.db2.gz LBJHDOBSWJUKEF-UHFFFAOYSA-N 2 2 391.520 0.219 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000430768451 1186027468 /nfs/dbraw/zinc/02/74/68/1186027468.db2.gz LBJHDOBSWJUKEF-UHFFFAOYSA-N 2 2 391.520 0.219 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000430785424 1186029776 /nfs/dbraw/zinc/02/97/76/1186029776.db2.gz VOPHNZILAGCFHP-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000430785424 1186029779 /nfs/dbraw/zinc/02/97/79/1186029779.db2.gz VOPHNZILAGCFHP-SFHVURJKSA-N 2 2 394.560 0.936 20 0 GCADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000430877585 1186045943 /nfs/dbraw/zinc/04/59/43/1186045943.db2.gz ZIEBFHOAPHLRKI-UHFFFAOYSA-N 2 2 387.484 0.871 20 0 GCADLP C[C@H](CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733059 1186048503 /nfs/dbraw/zinc/04/85/03/1186048503.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 3 2 377.577 0.258 20 0 GCADLP C[C@H](CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733059 1186048508 /nfs/dbraw/zinc/04/85/08/1186048508.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 3 2 377.577 0.258 20 0 GCADLP C[C@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733059 1186048513 /nfs/dbraw/zinc/04/85/13/1186048513.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 3 2 377.577 0.258 20 0 GCADLP C[C@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733059 1186048518 /nfs/dbraw/zinc/04/85/18/1186048518.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 3 2 377.577 0.258 20 0 GCADLP O=C(CN1CC[NH2+]CC1=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000430913938 1186051278 /nfs/dbraw/zinc/05/12/78/1186051278.db2.gz ZKLDGRWWEVERNI-UHFFFAOYSA-N 2 2 387.484 0.871 20 0 GCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000430939931 1186060004 /nfs/dbraw/zinc/06/00/04/1186060004.db2.gz MYRHAXFGJUETOT-WMZOPIPTSA-N 2 2 394.541 0.330 20 0 GCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000430939931 1186060010 /nfs/dbraw/zinc/06/00/10/1186060010.db2.gz MYRHAXFGJUETOT-WMZOPIPTSA-N 2 2 394.541 0.330 20 0 GCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC[C@H]1[NH3+] ZINC000430963911 1186071508 /nfs/dbraw/zinc/07/15/08/1186071508.db2.gz XBFIMOUGWBPIHO-WMLDXEAASA-N 2 2 398.504 0.328 20 0 GCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC[C@H]1[NH3+] ZINC000430963911 1186071512 /nfs/dbraw/zinc/07/15/12/1186071512.db2.gz XBFIMOUGWBPIHO-WMLDXEAASA-N 2 2 398.504 0.328 20 0 GCADLP CN(C(=O)[C@@]1(C)CCCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000562973230 1186085921 /nfs/dbraw/zinc/08/59/21/1186085921.db2.gz VWBVHIXFUWHJMW-HXUWFJFHSA-N 2 2 380.533 0.642 20 0 GCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000431018811 1186104523 /nfs/dbraw/zinc/10/45/23/1186104523.db2.gz YCDNTBYFAKIVEI-FXAWDEMLSA-N 2 2 390.528 0.948 20 0 GCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000431018811 1186104525 /nfs/dbraw/zinc/10/45/25/1186104525.db2.gz YCDNTBYFAKIVEI-FXAWDEMLSA-N 2 2 390.528 0.948 20 0 GCADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000431041411 1186111689 /nfs/dbraw/zinc/11/16/89/1186111689.db2.gz UMUOYWMXXBIEHO-LJQANCHMSA-N 2 2 377.485 0.782 20 0 GCADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@H](C)O1 ZINC000563012127 1186132870 /nfs/dbraw/zinc/13/28/70/1186132870.db2.gz UNANFZGQFDOQQQ-VIFLUARRSA-N 2 2 382.549 0.130 20 0 GCADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@H](C)O1 ZINC000563012127 1186132873 /nfs/dbraw/zinc/13/28/73/1186132873.db2.gz UNANFZGQFDOQQQ-VIFLUARRSA-N 2 2 382.549 0.130 20 0 GCADLP COCCCNC(=O)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000092362035 1186154606 /nfs/dbraw/zinc/15/46/06/1186154606.db2.gz ABYLIQACJZNARF-UHFFFAOYSA-N 2 2 390.532 0.593 20 0 GCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000610731876 1186155859 /nfs/dbraw/zinc/15/58/59/1186155859.db2.gz NFMTYVBTLJJQBC-LJQANCHMSA-N 2 2 394.608 0.822 20 0 GCADLP CN(C(=O)CCNS(C)(=O)=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849322 1186256368 /nfs/dbraw/zinc/25/63/68/1186256368.db2.gz XLKBCAAWFDHYQV-IAGOWNOFSA-N 2 2 388.578 0.721 20 0 GCADLP CN(C(=O)CCNS(C)(=O)=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849322 1186256372 /nfs/dbraw/zinc/25/63/72/1186256372.db2.gz XLKBCAAWFDHYQV-IAGOWNOFSA-N 2 2 388.578 0.721 20 0 GCADLP CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849643 1186256425 /nfs/dbraw/zinc/25/64/25/1186256425.db2.gz LAVZCPYZNLHPSV-ROUUACIJSA-N 2 2 395.548 0.034 20 0 GCADLP CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849643 1186256430 /nfs/dbraw/zinc/25/64/30/1186256430.db2.gz LAVZCPYZNLHPSV-ROUUACIJSA-N 2 2 395.548 0.034 20 0 GCADLP Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001707912772 1186268960 /nfs/dbraw/zinc/26/89/60/1186268960.db2.gz FYFGMDNHWBESGM-IRXDYDNUSA-N 2 2 392.548 0.997 20 0 GCADLP Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001707912772 1186268965 /nfs/dbraw/zinc/26/89/65/1186268965.db2.gz FYFGMDNHWBESGM-IRXDYDNUSA-N 2 2 392.548 0.997 20 0 GCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151504732 1186290763 /nfs/dbraw/zinc/29/07/63/1186290763.db2.gz PQPIBZUINWEEGF-UHFFFAOYSA-N 2 2 390.532 0.432 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[NH+](CC(C)(C)O)CC3)CC2)CC1 ZINC000151541642 1186291608 /nfs/dbraw/zinc/29/16/08/1186291608.db2.gz IMDVKZMOGYCPMN-UHFFFAOYSA-N 3 2 381.565 0.643 20 0 GCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277199558 1186292737 /nfs/dbraw/zinc/29/27/37/1186292737.db2.gz MKPCPRVIEQPOEJ-RDJZCZTQSA-N 2 2 396.557 0.797 20 0 GCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277199558 1186292742 /nfs/dbraw/zinc/29/27/42/1186292742.db2.gz MKPCPRVIEQPOEJ-RDJZCZTQSA-N 2 2 396.557 0.797 20 0 GCADLP COc1ccc(OC)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363703210 1186316321 /nfs/dbraw/zinc/31/63/21/1186316321.db2.gz DTGGLRVRDNFKTI-CQSZACIVSA-N 2 2 390.484 0.927 20 0 GCADLP COc1ccc(OC)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363703210 1186316326 /nfs/dbraw/zinc/31/63/26/1186316326.db2.gz DTGGLRVRDNFKTI-CQSZACIVSA-N 2 2 390.484 0.927 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000582016527 1186348675 /nfs/dbraw/zinc/34/86/75/1186348675.db2.gz BZLUNLVBCWXDAN-UHFFFAOYSA-N 3 2 395.592 0.852 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000582016527 1186348680 /nfs/dbraw/zinc/34/86/80/1186348680.db2.gz BZLUNLVBCWXDAN-UHFFFAOYSA-N 3 2 395.592 0.852 20 0 GCADLP Nc1cc(N)[nH+]c(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000105405582 1186364138 /nfs/dbraw/zinc/36/41/38/1186364138.db2.gz IHWFMZYDGLIXJS-UHFFFAOYSA-N 2 2 380.518 0.884 20 0 GCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000559549871 1186431986 /nfs/dbraw/zinc/43/19/86/1186431986.db2.gz NRIZBJBYLGDFKY-ZWKOTPCHSA-N 2 2 380.533 0.404 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000559552085 1186434902 /nfs/dbraw/zinc/43/49/02/1186434902.db2.gz RLNDQGBGEMUTCW-OALUTQOASA-N 2 2 394.560 0.650 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000582255385 1186475821 /nfs/dbraw/zinc/47/58/21/1186475821.db2.gz TXDCEZGAOQGVNS-RTBURBONSA-N 2 2 394.560 0.794 20 0 GCADLP CN(CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000582376805 1186507484 /nfs/dbraw/zinc/50/74/84/1186507484.db2.gz HGRHMGPQDBFDHL-UHFFFAOYSA-N 2 2 395.470 0.081 20 0 GCADLP CN(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000582376805 1186507485 /nfs/dbraw/zinc/50/74/85/1186507485.db2.gz HGRHMGPQDBFDHL-UHFFFAOYSA-N 2 2 395.470 0.081 20 0 GCADLP O[C@H](C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)Cn1cccn1 ZINC000582415845 1186525319 /nfs/dbraw/zinc/52/53/19/1186525319.db2.gz MBJYZNKIAHHFJY-DLBZAZTESA-N 2 2 387.488 0.129 20 0 GCADLP CC(C)Nc1nc(NC2CC[NH+](CC3CCCC3)CC2)nc(NCCO)[nH+]1 ZINC000582503719 1186552103 /nfs/dbraw/zinc/55/21/03/1186552103.db2.gz OWQLDLJDKQIDTJ-UHFFFAOYSA-N 2 2 377.537 0.428 20 0 GCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000582538901 1186560568 /nfs/dbraw/zinc/56/05/68/1186560568.db2.gz KEFMIVOSUILOLU-AFQPOQBFSA-N 2 2 392.544 0.686 20 0 GCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000582538901 1186560569 /nfs/dbraw/zinc/56/05/69/1186560569.db2.gz KEFMIVOSUILOLU-AFQPOQBFSA-N 2 2 392.544 0.686 20 0 GCADLP CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000582547256 1186562439 /nfs/dbraw/zinc/56/24/39/1186562439.db2.gz UVCOIDVNWMJZES-QGZVFWFLSA-N 3 2 379.549 0.073 20 0 GCADLP C[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000563206599 1186564291 /nfs/dbraw/zinc/56/42/91/1186564291.db2.gz NUKHYKHAOMBXGT-ATZDWAIDSA-N 2 2 376.476 0.926 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000582563422 1186568286 /nfs/dbraw/zinc/56/82/86/1186568286.db2.gz XCRQJJUTSYIDAL-SJORKVTESA-N 2 2 396.532 0.319 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000582563422 1186568287 /nfs/dbraw/zinc/56/82/87/1186568287.db2.gz XCRQJJUTSYIDAL-SJORKVTESA-N 2 2 396.532 0.319 20 0 GCADLP CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)c(=O)[nH]c1=O ZINC000472256803 1186663592 /nfs/dbraw/zinc/66/35/92/1186663592.db2.gz GWDGQXGWOHVUHG-CYBMUJFWSA-N 2 2 381.477 0.166 20 0 GCADLP CCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)c(=O)[nH]c1=O ZINC000472256803 1186663594 /nfs/dbraw/zinc/66/35/94/1186663594.db2.gz GWDGQXGWOHVUHG-CYBMUJFWSA-N 2 2 381.477 0.166 20 0 GCADLP CN(CCC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000582975953 1186740498 /nfs/dbraw/zinc/74/04/98/1186740498.db2.gz MLLNWPHTPQZDIK-HOTGVXAUSA-N 2 2 382.892 0.635 20 0 GCADLP CN(CCC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000582975953 1186740502 /nfs/dbraw/zinc/74/05/02/1186740502.db2.gz MLLNWPHTPQZDIK-HOTGVXAUSA-N 2 2 382.892 0.635 20 0 GCADLP COc1ccc(C[C@@H](C)[NH3+])cc1S(=O)(=O)Nc1ncc2c(n1)C[NH2+]CC2 ZINC001167644337 1186741525 /nfs/dbraw/zinc/74/15/25/1186741525.db2.gz JYDFMJOXZGMREH-LLVKDONJSA-N 2 2 377.470 0.821 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000162219734 1186746363 /nfs/dbraw/zinc/74/63/63/1186746363.db2.gz ZMUIWFPWNRCQCU-SFHVURJKSA-N 2 2 384.480 0.911 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000162219734 1186746365 /nfs/dbraw/zinc/74/63/65/1186746365.db2.gz ZMUIWFPWNRCQCU-SFHVURJKSA-N 2 2 384.480 0.911 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000472275707 1186751697 /nfs/dbraw/zinc/75/16/97/1186751697.db2.gz KUBHXEBZAGTQMY-AWEZNQCLSA-N 2 2 393.488 0.481 20 0 GCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000472275707 1186751701 /nfs/dbraw/zinc/75/17/01/1186751701.db2.gz KUBHXEBZAGTQMY-AWEZNQCLSA-N 2 2 393.488 0.481 20 0 GCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000583042004 1186756023 /nfs/dbraw/zinc/75/60/23/1186756023.db2.gz RTTZISYWBPFFPC-KRWDZBQOSA-N 2 2 386.537 0.476 20 0 GCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000583042004 1186756026 /nfs/dbraw/zinc/75/60/26/1186756026.db2.gz RTTZISYWBPFFPC-KRWDZBQOSA-N 2 2 386.537 0.476 20 0 GCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000238082449 1186758074 /nfs/dbraw/zinc/75/80/74/1186758074.db2.gz XBNDIDCCMYWWLX-SFHVURJKSA-N 2 2 381.480 0.807 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000583107571 1186771439 /nfs/dbraw/zinc/77/14/39/1186771439.db2.gz YTCOADXWYDSBGB-LJQANCHMSA-N 3 2 390.576 0.934 20 0 GCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000583107571 1186771441 /nfs/dbraw/zinc/77/14/41/1186771441.db2.gz YTCOADXWYDSBGB-LJQANCHMSA-N 3 2 390.576 0.934 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000583138028 1186778998 /nfs/dbraw/zinc/77/89/98/1186778998.db2.gz GPHVDEDBHKYDHR-MSOLQXFVSA-N 2 2 392.544 0.548 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C)CC[N@H+](C)CC3)CC2)CC1 ZINC000888983965 1186781683 /nfs/dbraw/zinc/78/16/83/1186781683.db2.gz WTZJLLGJVSJJJN-UHFFFAOYSA-N 3 2 379.593 0.889 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C)CC[N@@H+](C)CC3)CC2)CC1 ZINC000888983965 1186781690 /nfs/dbraw/zinc/78/16/90/1186781690.db2.gz WTZJLLGJVSJJJN-UHFFFAOYSA-N 3 2 379.593 0.889 20 0 GCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC[C@H]21 ZINC000657741354 1186793651 /nfs/dbraw/zinc/79/36/51/1186793651.db2.gz JRNWDAVLYSYRDQ-FGTMMUONSA-N 2 2 378.517 0.252 20 0 GCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC[C@H]21 ZINC000657741354 1186793652 /nfs/dbraw/zinc/79/36/52/1186793652.db2.gz JRNWDAVLYSYRDQ-FGTMMUONSA-N 2 2 378.517 0.252 20 0 GCADLP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)CC1 ZINC000657741833 1186798686 /nfs/dbraw/zinc/79/86/86/1186798686.db2.gz ZTWTVSLNLGVXCI-OALUTQOASA-N 2 2 392.544 0.500 20 0 GCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743343 1186801014 /nfs/dbraw/zinc/80/10/14/1186801014.db2.gz APNMERHMYIDYIQ-QZTJIDSGSA-N 2 2 380.533 0.500 20 0 GCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743343 1186801017 /nfs/dbraw/zinc/80/10/17/1186801017.db2.gz APNMERHMYIDYIQ-QZTJIDSGSA-N 2 2 380.533 0.500 20 0 GCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)C1 ZINC000657745176 1186808307 /nfs/dbraw/zinc/80/83/07/1186808307.db2.gz ORNHLZBNFMCHGT-XLIONFOSSA-N 2 2 378.517 0.254 20 0 GCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)C1 ZINC000657745176 1186808311 /nfs/dbraw/zinc/80/83/11/1186808311.db2.gz ORNHLZBNFMCHGT-XLIONFOSSA-N 2 2 378.517 0.254 20 0 GCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)C1 ZINC000657745177 1186808557 /nfs/dbraw/zinc/80/85/57/1186808557.db2.gz ORNHLZBNFMCHGT-YLJYHZDGSA-N 2 2 378.517 0.254 20 0 GCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)C1 ZINC000657745177 1186808559 /nfs/dbraw/zinc/80/85/59/1186808559.db2.gz ORNHLZBNFMCHGT-YLJYHZDGSA-N 2 2 378.517 0.254 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657746535 1186809169 /nfs/dbraw/zinc/80/91/69/1186809169.db2.gz XEHZTFQGWZFLIP-GOSISDBHSA-N 2 2 380.533 0.500 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC3(C(=O)OC)CCCCC3)C2)CC1 ZINC000155679386 1186822370 /nfs/dbraw/zinc/82/23/70/1186822370.db2.gz MIAFADKIGDEPOK-KRWDZBQOSA-N 2 2 380.533 0.690 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC3(C(=O)OC)CCCCC3)C2)CC1 ZINC000155679386 1186822375 /nfs/dbraw/zinc/82/23/75/1186822375.db2.gz MIAFADKIGDEPOK-KRWDZBQOSA-N 2 2 380.533 0.690 20 0 GCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000583389480 1186842338 /nfs/dbraw/zinc/84/23/38/1186842338.db2.gz ODQAJFUJZHNQRA-KRWDZBQOSA-N 2 2 382.574 0.874 20 0 GCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000583389480 1186842341 /nfs/dbraw/zinc/84/23/41/1186842341.db2.gz ODQAJFUJZHNQRA-KRWDZBQOSA-N 2 2 382.574 0.874 20 0 GCADLP [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CCCCC1 ZINC000583430931 1186852962 /nfs/dbraw/zinc/85/29/62/1186852962.db2.gz IMJDKKDFKVGAGK-SQNIBIBYSA-N 2 2 380.533 0.770 20 0 GCADLP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000583430660 1186853246 /nfs/dbraw/zinc/85/32/46/1186853246.db2.gz WCIXCZDFCFZQLN-PKOBYXMFSA-N 2 2 382.468 0.843 20 0 GCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H](OC)C[C@@H]3C[NH3+])CC2)cc1 ZINC000583444290 1186857172 /nfs/dbraw/zinc/85/71/72/1186857172.db2.gz VINBIMMPICRGQJ-QUCCMNQESA-N 2 2 390.528 0.778 20 0 GCADLP C[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000329162349 1186869150 /nfs/dbraw/zinc/86/91/50/1186869150.db2.gz ZPGOABPLIIJHNO-MRXNPFEDSA-N 2 2 376.505 0.141 20 0 GCADLP CC(C)Nc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000413527821 1186879018 /nfs/dbraw/zinc/87/90/18/1186879018.db2.gz BXDNCSJFNVGOQC-INIZCTEOSA-N 2 2 385.516 0.651 20 0 GCADLP Cn1cc(N2CC[NH+](C/C=C/C[NH+]3CCN(c4cnn(C)c4)CC3)CC2)cn1 ZINC000174918195 1186885912 /nfs/dbraw/zinc/88/59/12/1186885912.db2.gz QNYDIOCMGJCBPF-ONEGZZNKSA-N 2 2 384.532 0.654 20 0 GCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158422 1186891124 /nfs/dbraw/zinc/89/11/24/1186891124.db2.gz UQKNNICZTZXOTC-QFBILLFUSA-N 3 2 398.573 0.634 20 0 GCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158422 1186891128 /nfs/dbraw/zinc/89/11/28/1186891128.db2.gz UQKNNICZTZXOTC-QFBILLFUSA-N 3 2 398.573 0.634 20 0 GCADLP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000458620764 1186907009 /nfs/dbraw/zinc/90/70/09/1186907009.db2.gz PKEGXGHTXTZSPU-CALCHBBNSA-N 2 2 377.489 0.684 20 0 GCADLP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000458620764 1186907012 /nfs/dbraw/zinc/90/70/12/1186907012.db2.gz PKEGXGHTXTZSPU-CALCHBBNSA-N 2 2 377.489 0.684 20 0 GCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000583718974 1186926446 /nfs/dbraw/zinc/92/64/46/1186926446.db2.gz NUGSLBMLYOBTIS-HZPDHXFCSA-N 2 2 377.489 0.273 20 0 GCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583749254 1186930913 /nfs/dbraw/zinc/93/09/13/1186930913.db2.gz AIHMYUJMAZAWFK-ZWKOTPCHSA-N 2 2 384.484 0.661 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583749254 1186930917 /nfs/dbraw/zinc/93/09/17/1186930917.db2.gz AIHMYUJMAZAWFK-ZWKOTPCHSA-N 2 2 384.484 0.661 20 0 GCADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1C ZINC000247809524 1186968910 /nfs/dbraw/zinc/96/89/10/1186968910.db2.gz ULHZTRUSADJLQV-IRXDYDNUSA-N 2 2 380.558 0.779 20 0 GCADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1C ZINC000247809524 1186968912 /nfs/dbraw/zinc/96/89/12/1186968912.db2.gz ULHZTRUSADJLQV-IRXDYDNUSA-N 2 2 380.558 0.779 20 0 GCADLP COc1ccc([C@H](CNC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)[NH+]2CCCCC2)cc1 ZINC000278543334 1186973145 /nfs/dbraw/zinc/97/31/45/1186973145.db2.gz AIWROIRHBJBJCL-GBESFXJTSA-N 2 2 377.485 0.376 20 0 GCADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)[NH+]2CCCCC2)cc1 ZINC000278543334 1186973146 /nfs/dbraw/zinc/97/31/46/1186973146.db2.gz AIWROIRHBJBJCL-GBESFXJTSA-N 2 2 377.485 0.376 20 0 GCADLP CCC1(O)CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685252229 1186979905 /nfs/dbraw/zinc/97/99/05/1186979905.db2.gz IVBSNPONEGPWCU-LFDOHDQPSA-N 2 2 380.533 0.471 20 0 GCADLP CCC1(O)CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000685252229 1186979907 /nfs/dbraw/zinc/97/99/07/1186979907.db2.gz IVBSNPONEGPWCU-LFDOHDQPSA-N 2 2 380.533 0.471 20 0 GCADLP Cc1c[nH+]ccc1OC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000278614601 1186995314 /nfs/dbraw/zinc/99/53/14/1186995314.db2.gz MUUYHJZLIATGSD-UHFFFAOYSA-N 2 2 398.467 0.681 20 0 GCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)n1C ZINC000584104999 1187000222 /nfs/dbraw/zinc/00/02/22/1187000222.db2.gz YDBTVNAKDGIDQU-UHFFFAOYSA-N 2 2 376.505 0.579 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276385 1187017616 /nfs/dbraw/zinc/01/76/16/1187017616.db2.gz OABCXHMBRWRYND-JTDSTZFVSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276385 1187017619 /nfs/dbraw/zinc/01/76/19/1187017619.db2.gz OABCXHMBRWRYND-JTDSTZFVSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000685276385 1187017623 /nfs/dbraw/zinc/01/76/23/1187017623.db2.gz OABCXHMBRWRYND-JTDSTZFVSA-N 3 2 391.560 0.355 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000685276385 1187017624 /nfs/dbraw/zinc/01/76/24/1187017624.db2.gz OABCXHMBRWRYND-JTDSTZFVSA-N 3 2 391.560 0.355 20 0 GCADLP O=S(=O)(CC[NH2+][C@H]1CCCn2nccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000657841254 1187039423 /nfs/dbraw/zinc/03/94/23/1187039423.db2.gz BDKHVHFXOYAZCL-INIZCTEOSA-N 2 2 390.513 0.855 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(cc[nH]c4=O)c3)C2)CC1 ZINC000657845391 1187042103 /nfs/dbraw/zinc/04/21/03/1187042103.db2.gz NRVUMXATYMVWII-INIZCTEOSA-N 2 2 397.479 0.751 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(cc[nH]c4=O)c3)C2)CC1 ZINC000657845391 1187042104 /nfs/dbraw/zinc/04/21/04/1187042104.db2.gz NRVUMXATYMVWII-INIZCTEOSA-N 2 2 397.479 0.751 20 0 GCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000081334849 1187044755 /nfs/dbraw/zinc/04/47/55/1187044755.db2.gz GWEPWNWAQBDTHN-ROUUACIJSA-N 2 2 380.533 0.357 20 0 GCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000081364189 1187045702 /nfs/dbraw/zinc/04/57/02/1187045702.db2.gz GMRKGZSBESOIBO-ZWKOTPCHSA-N 2 2 380.533 0.357 20 0 GCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000081364189 1187045708 /nfs/dbraw/zinc/04/57/08/1187045708.db2.gz GMRKGZSBESOIBO-ZWKOTPCHSA-N 2 2 380.533 0.357 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000081528883 1187046106 /nfs/dbraw/zinc/04/61/06/1187046106.db2.gz HYQIAGGVERZRFY-SJORKVTESA-N 2 2 380.489 0.751 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000081528878 1187046453 /nfs/dbraw/zinc/04/64/53/1187046453.db2.gz HYQIAGGVERZRFY-IRXDYDNUSA-N 2 2 380.489 0.751 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685339098 1187102852 /nfs/dbraw/zinc/10/28/52/1187102852.db2.gz HBQBYHPAEACSJR-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685339098 1187102855 /nfs/dbraw/zinc/10/28/55/1187102855.db2.gz HBQBYHPAEACSJR-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685339098 1187102857 /nfs/dbraw/zinc/10/28/57/1187102857.db2.gz HBQBYHPAEACSJR-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP C[C@H](NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339098 1187102863 /nfs/dbraw/zinc/10/28/63/1187102863.db2.gz HBQBYHPAEACSJR-PKOBYXMFSA-N 2 2 388.512 0.556 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685362018 1187116483 /nfs/dbraw/zinc/11/64/83/1187116483.db2.gz QIUORKPTWFWNTM-WJFTUGDTSA-N 2 2 392.544 0.687 20 0 GCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685362018 1187116487 /nfs/dbraw/zinc/11/64/87/1187116487.db2.gz QIUORKPTWFWNTM-WJFTUGDTSA-N 2 2 392.544 0.687 20 0 GCADLP CCc1cnccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685396184 1187121240 /nfs/dbraw/zinc/12/12/40/1187121240.db2.gz VBQXVPBNBWFOFO-IBGZPJMESA-N 2 2 387.528 0.887 20 0 GCADLP CCc1cnccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685396184 1187121245 /nfs/dbraw/zinc/12/12/45/1187121245.db2.gz VBQXVPBNBWFOFO-IBGZPJMESA-N 2 2 387.528 0.887 20 0 GCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685520153 1187142708 /nfs/dbraw/zinc/14/27/08/1187142708.db2.gz BQXWFYQFXGFQCO-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685520153 1187142713 /nfs/dbraw/zinc/14/27/13/1187142713.db2.gz BQXWFYQFXGFQCO-IAGOWNOFSA-N 2 2 380.533 0.546 20 0 GCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685520152 1187142845 /nfs/dbraw/zinc/14/28/45/1187142845.db2.gz BQXWFYQFXGFQCO-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685520152 1187142847 /nfs/dbraw/zinc/14/28/47/1187142847.db2.gz BQXWFYQFXGFQCO-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000658539687 1187333655 /nfs/dbraw/zinc/33/36/55/1187333655.db2.gz FHAPEAAJJNBMAW-RTBURBONSA-N 2 2 394.560 0.935 20 0 GCADLP CO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000658539687 1187333656 /nfs/dbraw/zinc/33/36/56/1187333656.db2.gz FHAPEAAJJNBMAW-RTBURBONSA-N 2 2 394.560 0.935 20 0 GCADLP O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001024384468 1187371848 /nfs/dbraw/zinc/37/18/48/1187371848.db2.gz WPJNDJXINDSRKA-MUIFIZLQSA-N 2 2 387.484 0.077 20 0 GCADLP O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001024384468 1187371850 /nfs/dbraw/zinc/37/18/50/1187371850.db2.gz WPJNDJXINDSRKA-MUIFIZLQSA-N 2 2 387.484 0.077 20 0 GCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000413631420 1187446587 /nfs/dbraw/zinc/44/65/87/1187446587.db2.gz XJDAWFXAWCYGSL-GOSISDBHSA-N 2 2 397.564 0.193 20 0 GCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000413631420 1187446590 /nfs/dbraw/zinc/44/65/90/1187446590.db2.gz XJDAWFXAWCYGSL-GOSISDBHSA-N 2 2 397.564 0.193 20 0 GCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000375843982 1187449229 /nfs/dbraw/zinc/44/92/29/1187449229.db2.gz ZAFGVKKIPFGVRO-KRWDZBQOSA-N 2 2 395.548 0.387 20 0 GCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000375843982 1187449232 /nfs/dbraw/zinc/44/92/32/1187449232.db2.gz ZAFGVKKIPFGVRO-KRWDZBQOSA-N 2 2 395.548 0.387 20 0 GCADLP CCCC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000612289469 1187451858 /nfs/dbraw/zinc/45/18/58/1187451858.db2.gz XJZUUPOUBJVHDA-FGTMMUONSA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000612289469 1187451862 /nfs/dbraw/zinc/45/18/62/1187451862.db2.gz XJZUUPOUBJVHDA-FGTMMUONSA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000612289469 1187451867 /nfs/dbraw/zinc/45/18/67/1187451867.db2.gz XJZUUPOUBJVHDA-FGTMMUONSA-N 2 2 398.548 0.219 20 0 GCADLP CCCC[C@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000612289469 1187451870 /nfs/dbraw/zinc/45/18/70/1187451870.db2.gz XJZUUPOUBJVHDA-FGTMMUONSA-N 2 2 398.548 0.219 20 0 GCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000658776622 1187456083 /nfs/dbraw/zinc/45/60/83/1187456083.db2.gz BYCKNRFZCSHDCP-LJQANCHMSA-N 2 2 387.528 0.973 20 0 GCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000658776622 1187456085 /nfs/dbraw/zinc/45/60/85/1187456085.db2.gz BYCKNRFZCSHDCP-LJQANCHMSA-N 2 2 387.528 0.973 20 0 GCADLP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000569833138 1187462621 /nfs/dbraw/zinc/46/26/21/1187462621.db2.gz VLDQFJWUCBTSNW-QZTJIDSGSA-N 2 2 380.533 0.594 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000375907833 1187482750 /nfs/dbraw/zinc/48/27/50/1187482750.db2.gz ZQXYDGXDPXILSY-LJQANCHMSA-N 2 2 387.488 0.249 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000375907833 1187482751 /nfs/dbraw/zinc/48/27/51/1187482751.db2.gz ZQXYDGXDPXILSY-LJQANCHMSA-N 2 2 387.488 0.249 20 0 GCADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000570010929 1187500449 /nfs/dbraw/zinc/50/04/49/1187500449.db2.gz CUQFYVNDKCVRAW-KURKYZTESA-N 2 2 375.517 0.969 20 0 GCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612485732 1187506262 /nfs/dbraw/zinc/50/62/62/1187506262.db2.gz LBTMPTZZLIHPGN-GOSISDBHSA-N 2 2 382.549 0.792 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413802296 1187518179 /nfs/dbraw/zinc/51/81/79/1187518179.db2.gz UMLFWBMPXTUYFR-IAGOWNOFSA-N 2 2 379.505 0.446 20 0 GCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413802297 1187518480 /nfs/dbraw/zinc/51/84/80/1187518480.db2.gz UMLFWBMPXTUYFR-IRXDYDNUSA-N 2 2 379.505 0.446 20 0 GCADLP CC[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000413881769 1187558637 /nfs/dbraw/zinc/55/86/37/1187558637.db2.gz PRPNQJZZGYUBKE-MOPGFXCFSA-N 2 2 396.576 0.789 20 0 GCADLP CC[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000413881769 1187558640 /nfs/dbraw/zinc/55/86/40/1187558640.db2.gz PRPNQJZZGYUBKE-MOPGFXCFSA-N 2 2 396.576 0.789 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](CC)[C@H](C)C3)O2)C[C@H]1C ZINC000612951517 1187625028 /nfs/dbraw/zinc/62/50/28/1187625028.db2.gz FXYNCBZQSKRLOZ-TVFCKZIOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](CC)[C@H](C)C3)O2)C[C@H]1C ZINC000612951517 1187625032 /nfs/dbraw/zinc/62/50/32/1187625032.db2.gz FXYNCBZQSKRLOZ-TVFCKZIOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](CC)[C@H](C)C3)O2)C[C@H]1C ZINC000612951517 1187625033 /nfs/dbraw/zinc/62/50/33/1187625033.db2.gz FXYNCBZQSKRLOZ-TVFCKZIOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](CC)[C@H](C)C3)O2)C[C@H]1C ZINC000612951517 1187625036 /nfs/dbraw/zinc/62/50/36/1187625036.db2.gz FXYNCBZQSKRLOZ-TVFCKZIOSA-N 2 2 380.533 0.639 20 0 GCADLP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000613012364 1187635757 /nfs/dbraw/zinc/63/57/57/1187635757.db2.gz OXSZJXNWZMZXSR-BZUAXINKSA-N 2 2 382.530 0.881 20 0 GCADLP CCCN(CC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000376216784 1187693393 /nfs/dbraw/zinc/69/33/93/1187693393.db2.gz BQVRLAXOFXYGLN-SFHVURJKSA-N 2 2 380.533 0.502 20 0 GCADLP C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000134038662 1187744114 /nfs/dbraw/zinc/74/41/14/1187744114.db2.gz SWRSNDQSUUEBNU-DOTOQJQBSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000134038662 1187744119 /nfs/dbraw/zinc/74/41/19/1187744119.db2.gz SWRSNDQSUUEBNU-DOTOQJQBSA-N 2 2 376.505 0.352 20 0 GCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000376294038 1187751982 /nfs/dbraw/zinc/75/19/82/1187751982.db2.gz QBXNJAOJDKJGFG-QZTJIDSGSA-N 2 2 387.532 0.867 20 0 GCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C2)CC1 ZINC000332697223 1187755686 /nfs/dbraw/zinc/75/56/86/1187755686.db2.gz ZOCPBNRPQCYYLA-ROUUACIJSA-N 2 2 388.512 0.654 20 0 GCADLP C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000376314712 1187757805 /nfs/dbraw/zinc/75/78/05/1187757805.db2.gz CVFRQPMTCNYWSY-DUQJVZAFSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000376314712 1187757811 /nfs/dbraw/zinc/75/78/11/1187757811.db2.gz CVFRQPMTCNYWSY-DUQJVZAFSA-N 2 2 395.548 0.478 20 0 GCADLP COC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000376344626 1187780532 /nfs/dbraw/zinc/78/05/32/1187780532.db2.gz SWSKWEHEMXNVOI-MRXNPFEDSA-N 2 2 381.521 0.933 20 0 GCADLP COC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000376344626 1187780535 /nfs/dbraw/zinc/78/05/35/1187780535.db2.gz SWSKWEHEMXNVOI-MRXNPFEDSA-N 2 2 381.521 0.933 20 0 GCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)c1 ZINC000892609479 1187825608 /nfs/dbraw/zinc/82/56/08/1187825608.db2.gz QEEMRACWSFMOSS-RBUKOAKNSA-N 2 2 375.517 0.480 20 0 GCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)c1 ZINC000892609479 1187825610 /nfs/dbraw/zinc/82/56/10/1187825610.db2.gz QEEMRACWSFMOSS-RBUKOAKNSA-N 2 2 375.517 0.480 20 0 GCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000892611208 1187827450 /nfs/dbraw/zinc/82/74/50/1187827450.db2.gz LAGYXJLHHRQLPV-UHOSZYNNSA-N 2 2 376.501 0.953 20 0 GCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000892611208 1187827452 /nfs/dbraw/zinc/82/74/52/1187827452.db2.gz LAGYXJLHHRQLPV-UHOSZYNNSA-N 2 2 376.501 0.953 20 0 GCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000658978272 1187829104 /nfs/dbraw/zinc/82/91/04/1187829104.db2.gz PHGPPCZICXOSKC-QZTJIDSGSA-N 2 2 378.517 0.396 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000892614259 1187830016 /nfs/dbraw/zinc/83/00/16/1187830016.db2.gz ITTKSPCZJKRHOF-GOSISDBHSA-N 2 2 386.500 0.526 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000892614259 1187830017 /nfs/dbraw/zinc/83/00/17/1187830017.db2.gz ITTKSPCZJKRHOF-GOSISDBHSA-N 2 2 386.500 0.526 20 0 GCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892613731 1187830971 /nfs/dbraw/zinc/83/09/71/1187830971.db2.gz GCFJHKTVGBYMKI-DDBAPUKQSA-N 2 2 385.468 0.750 20 0 GCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892613731 1187830974 /nfs/dbraw/zinc/83/09/74/1187830974.db2.gz GCFJHKTVGBYMKI-DDBAPUKQSA-N 2 2 385.468 0.750 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000659112146 1187891011 /nfs/dbraw/zinc/89/10/11/1187891011.db2.gz HYNSVMNFHKABPR-AWEZNQCLSA-N 2 2 375.473 0.013 20 0 GCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC2)c1 ZINC000659256979 1187920984 /nfs/dbraw/zinc/92/09/84/1187920984.db2.gz VDRMZJSBIYQARG-MRXNPFEDSA-N 2 2 398.467 0.799 20 0 GCADLP CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000588236852 1187926317 /nfs/dbraw/zinc/92/63/17/1187926317.db2.gz PICRPWONHJLXKT-HOTGVXAUSA-N 2 2 394.516 0.073 20 0 GCADLP CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000588236852 1187926320 /nfs/dbraw/zinc/92/63/20/1187926320.db2.gz PICRPWONHJLXKT-HOTGVXAUSA-N 2 2 394.516 0.073 20 0 GCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345081 1187945404 /nfs/dbraw/zinc/94/54/04/1187945404.db2.gz YNZPOWLQCRQITN-MOPGFXCFSA-N 3 2 393.576 0.556 20 0 GCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345081 1187945409 /nfs/dbraw/zinc/94/54/09/1187945409.db2.gz YNZPOWLQCRQITN-MOPGFXCFSA-N 3 2 393.576 0.556 20 0 GCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345057 1187945457 /nfs/dbraw/zinc/94/54/57/1187945457.db2.gz VRMHIKUHLRQYKK-PKOBYXMFSA-N 3 2 393.576 0.602 20 0 GCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345057 1187945459 /nfs/dbraw/zinc/94/54/59/1187945459.db2.gz VRMHIKUHLRQYKK-PKOBYXMFSA-N 3 2 393.576 0.602 20 0 GCADLP CO[C@]1(C)CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345008 1187945627 /nfs/dbraw/zinc/94/56/27/1187945627.db2.gz PJFSAXBNUMQYOY-YLJYHZDGSA-N 2 2 380.533 0.641 20 0 GCADLP CO[C@]1(C)CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659345008 1187945628 /nfs/dbraw/zinc/94/56/28/1187945628.db2.gz PJFSAXBNUMQYOY-YLJYHZDGSA-N 2 2 380.533 0.641 20 0 GCADLP CCO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659344576 1187945867 /nfs/dbraw/zinc/94/58/67/1187945867.db2.gz GSTDOFZRTKNTGK-ZWKOTPCHSA-N 2 2 380.533 0.641 20 0 GCADLP CCO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000659344576 1187945869 /nfs/dbraw/zinc/94/58/69/1187945869.db2.gz GSTDOFZRTKNTGK-ZWKOTPCHSA-N 2 2 380.533 0.641 20 0 GCADLP CN(C(=O)C(=O)N1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344849 1187946394 /nfs/dbraw/zinc/94/63/94/1187946394.db2.gz MRKRTJQMKWJWFJ-QGZVFWFLSA-N 2 2 378.517 0.395 20 0 GCADLP CN(C(=O)C(=O)N1CCOC2(CCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344849 1187946396 /nfs/dbraw/zinc/94/63/96/1187946396.db2.gz MRKRTJQMKWJWFJ-QGZVFWFLSA-N 2 2 378.517 0.395 20 0 GCADLP CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344797 1187946501 /nfs/dbraw/zinc/94/65/01/1187946501.db2.gz KVYRAOOMFXRGFK-NEWSRXKRSA-N 2 2 394.560 0.623 20 0 GCADLP CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344797 1187946504 /nfs/dbraw/zinc/94/65/04/1187946504.db2.gz KVYRAOOMFXRGFK-NEWSRXKRSA-N 2 2 394.560 0.623 20 0 GCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344805 1187946631 /nfs/dbraw/zinc/94/66/31/1187946631.db2.gz KWRFYSGPJMOSHS-SFHVURJKSA-N 3 2 379.549 0.168 20 0 GCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344805 1187946633 /nfs/dbraw/zinc/94/66/33/1187946633.db2.gz KWRFYSGPJMOSHS-SFHVURJKSA-N 3 2 379.549 0.168 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344509 1187946813 /nfs/dbraw/zinc/94/68/13/1187946813.db2.gz ATSZYULPEVIZNO-CGTJXYLNSA-N 2 2 380.533 0.639 20 0 GCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344509 1187946814 /nfs/dbraw/zinc/94/68/14/1187946814.db2.gz ATSZYULPEVIZNO-CGTJXYLNSA-N 2 2 380.533 0.639 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)S1 ZINC000659344597 1187947095 /nfs/dbraw/zinc/94/70/95/1187947095.db2.gz ISSKCFOYLPEOCN-UXLLHSPISA-N 2 2 382.574 0.966 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)S1 ZINC000659344597 1187947097 /nfs/dbraw/zinc/94/70/97/1187947097.db2.gz ISSKCFOYLPEOCN-UXLLHSPISA-N 2 2 382.574 0.966 20 0 GCADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000376587135 1187954574 /nfs/dbraw/zinc/95/45/74/1187954574.db2.gz YZIMIQZDUXOJFO-ROUUACIJSA-N 2 2 387.532 0.867 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000659680305 1187993391 /nfs/dbraw/zinc/99/33/91/1187993391.db2.gz MCTROZNWILQAPJ-APWZRJJASA-N 2 2 388.512 0.721 20 0 GCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659687316 1187997630 /nfs/dbraw/zinc/99/76/30/1187997630.db2.gz STIOQRMGZNJUHO-MRXNPFEDSA-N 2 2 388.516 0.096 20 0 GCADLP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659688189 1187998059 /nfs/dbraw/zinc/99/80/59/1187998059.db2.gz RNEZFRFTZGCNMJ-UHFFFAOYSA-N 2 2 378.517 0.254 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000659698411 1187999189 /nfs/dbraw/zinc/99/91/89/1187999189.db2.gz YYONVACJAHYZOD-APHBMKBZSA-N 2 2 382.892 0.552 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000659698411 1187999193 /nfs/dbraw/zinc/99/91/93/1187999193.db2.gz YYONVACJAHYZOD-APHBMKBZSA-N 2 2 382.892 0.552 20 0 GCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)C2)CC1 ZINC000106525012 1188012365 /nfs/dbraw/zinc/01/23/65/1188012365.db2.gz MBQGCTSDFVJMTD-OALUTQOASA-N 2 2 381.565 0.765 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000659756343 1188021086 /nfs/dbraw/zinc/02/10/86/1188021086.db2.gz QVCDRZNVLLODJM-RYQLBKOJSA-N 3 2 381.565 0.506 20 0 GCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000659756343 1188021089 /nfs/dbraw/zinc/02/10/89/1188021089.db2.gz QVCDRZNVLLODJM-RYQLBKOJSA-N 3 2 381.565 0.506 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000415307276 1188028117 /nfs/dbraw/zinc/02/81/17/1188028117.db2.gz VQBTUVXRYZYEFC-UHFFFAOYSA-N 2 2 387.528 0.960 20 0 GCADLP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000415337245 1188054617 /nfs/dbraw/zinc/05/46/17/1188054617.db2.gz XFYUWFZAADEBOM-UHFFFAOYSA-N 2 2 396.495 0.846 20 0 GCADLP CC(C)[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000909323066 1188055288 /nfs/dbraw/zinc/05/52/88/1188055288.db2.gz HPKNRLWYPBNKGG-LMMKCTJWSA-N 2 2 382.549 0.839 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000415343309 1188057323 /nfs/dbraw/zinc/05/73/23/1188057323.db2.gz LCNICXDEZDNEFN-INIZCTEOSA-N 2 2 389.500 0.072 20 0 GCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000415343309 1188057324 /nfs/dbraw/zinc/05/73/24/1188057324.db2.gz LCNICXDEZDNEFN-INIZCTEOSA-N 2 2 389.500 0.072 20 0 GCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)COc1cccc2[nH]ccc21 ZINC000644569761 1188087967 /nfs/dbraw/zinc/08/79/67/1188087967.db2.gz VDLDPVFQJRVADW-MSOLQXFVSA-N 2 2 388.512 0.904 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021057 1188102742 /nfs/dbraw/zinc/10/27/42/1188102742.db2.gz CTVIKRDLCZKVHG-WDSOQIARSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021057 1188102744 /nfs/dbraw/zinc/10/27/44/1188102744.db2.gz CTVIKRDLCZKVHG-WDSOQIARSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021057 1188102746 /nfs/dbraw/zinc/10/27/46/1188102746.db2.gz CTVIKRDLCZKVHG-WDSOQIARSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021057 1188102748 /nfs/dbraw/zinc/10/27/48/1188102748.db2.gz CTVIKRDLCZKVHG-WDSOQIARSA-N 3 2 379.549 0.396 20 0 GCADLP Cn1nccc1[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000893024796 1188103385 /nfs/dbraw/zinc/10/33/85/1188103385.db2.gz VUYPQKOCWDFKHJ-YJBOKZPZSA-N 2 2 376.505 0.672 20 0 GCADLP Cn1nccc1[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000893024796 1188103386 /nfs/dbraw/zinc/10/33/86/1188103386.db2.gz VUYPQKOCWDFKHJ-YJBOKZPZSA-N 2 2 376.505 0.672 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000415574213 1188109391 /nfs/dbraw/zinc/10/93/91/1188109391.db2.gz CZZYAOZJBXNHNL-DFQSSKMNSA-N 2 2 399.539 0.958 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3=CC[NH2+]CC3)cc2)CC1 ZINC000415599296 1188118990 /nfs/dbraw/zinc/11/89/90/1188118990.db2.gz QIJFTHZZYDPLON-UHFFFAOYSA-N 2 2 385.512 0.799 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)c2)CC1 ZINC000415676416 1188139994 /nfs/dbraw/zinc/13/99/94/1188139994.db2.gz KRTYOHOUDPBIJW-QGZVFWFLSA-N 2 2 387.528 0.960 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)c2)CC1 ZINC000415676412 1188140063 /nfs/dbraw/zinc/14/00/63/1188140063.db2.gz KRTYOHOUDPBIJW-KRWDZBQOSA-N 2 2 387.528 0.960 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415754438 1188158764 /nfs/dbraw/zinc/15/87/64/1188158764.db2.gz ZMLDPMDQOKVLRC-QZTJIDSGSA-N 2 2 385.512 0.440 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415754441 1188158831 /nfs/dbraw/zinc/15/88/31/1188158831.db2.gz ZMLDPMDQOKVLRC-ROUUACIJSA-N 2 2 385.512 0.440 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)c2)CC1 ZINC000415778187 1188162919 /nfs/dbraw/zinc/16/29/19/1188162919.db2.gz JGAAUPVHAFMHBO-PKOBYXMFSA-N 2 2 385.512 0.583 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000415866740 1189388614 /nfs/dbraw/zinc/38/86/14/1189388614.db2.gz OPONSVJUOODQCH-UXLLHSPISA-N 2 2 390.484 0.339 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000415866740 1189388616 /nfs/dbraw/zinc/38/86/16/1189388616.db2.gz OPONSVJUOODQCH-UXLLHSPISA-N 2 2 390.484 0.339 20 0 GCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415873000 1189393827 /nfs/dbraw/zinc/39/38/27/1189393827.db2.gz UCXDJAOJPIKUQV-ZWKOTPCHSA-N 2 2 385.512 0.440 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000378179495 1189435842 /nfs/dbraw/zinc/43/58/42/1189435842.db2.gz JKEZAFIOWULEMR-KRWDZBQOSA-N 2 2 387.484 0.353 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000378179495 1189435845 /nfs/dbraw/zinc/43/58/45/1189435845.db2.gz JKEZAFIOWULEMR-KRWDZBQOSA-N 2 2 387.484 0.353 20 0 GCADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000378442890 1189508573 /nfs/dbraw/zinc/50/85/73/1189508573.db2.gz LIFDEKKLEWQAGF-YESZJQIVSA-N 2 2 396.532 0.955 20 0 GCADLP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000363837291 1189515014 /nfs/dbraw/zinc/51/50/14/1189515014.db2.gz XABWKKFNLLLTGT-MOPGFXCFSA-N 2 2 381.565 0.955 20 0 GCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378537356 1189528880 /nfs/dbraw/zinc/52/88/80/1189528880.db2.gz JOCPGVLXOVTGBP-KRWDZBQOSA-N 2 2 397.516 0.090 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccccc3-n3ccnn3)C2)CC1 ZINC000363895660 1189559161 /nfs/dbraw/zinc/55/91/61/1189559161.db2.gz FTAMDHDSKDSLAF-HNNXBMFYSA-N 2 2 397.483 0.491 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccccc3-n3ccnn3)C2)CC1 ZINC000363895660 1189559162 /nfs/dbraw/zinc/55/91/62/1189559162.db2.gz FTAMDHDSKDSLAF-HNNXBMFYSA-N 2 2 397.483 0.491 20 0 GCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000108873393 1189591426 /nfs/dbraw/zinc/59/14/26/1189591426.db2.gz TYFBUDFJNNQFRH-QZTJIDSGSA-N 2 2 394.560 0.888 20 0 GCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000416981653 1189605274 /nfs/dbraw/zinc/60/52/74/1189605274.db2.gz CVLIDXHMDLGZQQ-LJQANCHMSA-N 2 2 375.517 0.612 20 0 GCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000584673210 1189623606 /nfs/dbraw/zinc/62/36/06/1189623606.db2.gz OGRJLPKDMNGFCC-KRWDZBQOSA-N 2 2 382.549 0.936 20 0 GCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000584673210 1189623610 /nfs/dbraw/zinc/62/36/10/1189623610.db2.gz OGRJLPKDMNGFCC-KRWDZBQOSA-N 2 2 382.549 0.936 20 0 GCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000584673210 1189623613 /nfs/dbraw/zinc/62/36/13/1189623613.db2.gz OGRJLPKDMNGFCC-KRWDZBQOSA-N 2 2 382.549 0.936 20 0 GCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000584673210 1189623615 /nfs/dbraw/zinc/62/36/15/1189623615.db2.gz OGRJLPKDMNGFCC-KRWDZBQOSA-N 2 2 382.549 0.936 20 0 GCADLP C[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C[NH3+])C1 ZINC000417368817 1189654763 /nfs/dbraw/zinc/65/47/63/1189654763.db2.gz PIYOGZCXTSCBLW-IAGOWNOFSA-N 2 2 388.516 0.889 20 0 GCADLP COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000584840217 1189686419 /nfs/dbraw/zinc/68/64/19/1189686419.db2.gz QKLKXOLSJBYJDT-LBPRGKRZSA-N 2 2 384.502 0.744 20 0 GCADLP O=C(NCCN1CC[NH2+]CC1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417602307 1189688124 /nfs/dbraw/zinc/68/81/24/1189688124.db2.gz NVGHPFRARGGOBL-LJQANCHMSA-N 2 2 375.517 0.134 20 0 GCADLP O=C(NCCCN1CC[NH2+]CC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604706 1189688143 /nfs/dbraw/zinc/68/81/43/1189688143.db2.gz VDVHVQFQOBPJJF-FQEVSTJZSA-N 2 2 389.544 0.524 20 0 GCADLP CC(C)([NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417613662 1189690887 /nfs/dbraw/zinc/69/08/87/1189690887.db2.gz ACDYLRFDVJRNDS-CQSZACIVSA-N 2 2 377.493 0.319 20 0 GCADLP CC(C)([NH3+])CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417613662 1189690892 /nfs/dbraw/zinc/69/08/92/1189690892.db2.gz ACDYLRFDVJRNDS-CQSZACIVSA-N 2 2 377.493 0.319 20 0 GCADLP [NH3+]C[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000417626294 1189692758 /nfs/dbraw/zinc/69/27/58/1189692758.db2.gz QXGGPALGNJIJQS-JKSUJKDBSA-N 2 2 389.504 0.319 20 0 GCADLP [NH3+]C[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000417626294 1189692762 /nfs/dbraw/zinc/69/27/62/1189692762.db2.gz QXGGPALGNJIJQS-JKSUJKDBSA-N 2 2 389.504 0.319 20 0 GCADLP [NH3+]C[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000417626292 1189693080 /nfs/dbraw/zinc/69/30/80/1189693080.db2.gz QXGGPALGNJIJQS-HOTGVXAUSA-N 2 2 389.504 0.319 20 0 GCADLP [NH3+]C[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000417626292 1189693083 /nfs/dbraw/zinc/69/30/83/1189693083.db2.gz QXGGPALGNJIJQS-HOTGVXAUSA-N 2 2 389.504 0.319 20 0 GCADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000417627648 1189693217 /nfs/dbraw/zinc/69/32/17/1189693217.db2.gz SNYALKDVANXLMV-JKSUJKDBSA-N 2 2 389.504 0.415 20 0 GCADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000417627648 1189693219 /nfs/dbraw/zinc/69/32/19/1189693219.db2.gz SNYALKDVANXLMV-JKSUJKDBSA-N 2 2 389.504 0.415 20 0 GCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])nc[nH+]1 ZINC000417779177 1189704652 /nfs/dbraw/zinc/70/46/52/1189704652.db2.gz UNOOCFHZEOWITL-ILXRZTDVSA-N 2 2 377.493 0.635 20 0 GCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])[nH+]cn1 ZINC000417779177 1189704654 /nfs/dbraw/zinc/70/46/54/1189704654.db2.gz UNOOCFHZEOWITL-ILXRZTDVSA-N 2 2 377.493 0.635 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)ccn2)CC1 ZINC000660350328 1189729796 /nfs/dbraw/zinc/72/97/96/1189729796.db2.gz XFESSVXOBKVNLX-SFHVURJKSA-N 2 2 388.516 0.450 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000660542716 1189895241 /nfs/dbraw/zinc/89/52/41/1189895241.db2.gz GTUKUXRJNNRCQM-KZNAEPCWSA-N 2 2 378.517 0.252 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000660542716 1189895246 /nfs/dbraw/zinc/89/52/46/1189895246.db2.gz GTUKUXRJNNRCQM-KZNAEPCWSA-N 2 2 378.517 0.252 20 0 GCADLP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)cn1 ZINC000652129079 1189907050 /nfs/dbraw/zinc/90/70/50/1189907050.db2.gz VHYKKUKEKAMIOH-LJQANCHMSA-N 2 2 398.511 0.769 20 0 GCADLP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)cn1 ZINC000652129079 1189907053 /nfs/dbraw/zinc/90/70/53/1189907053.db2.gz VHYKKUKEKAMIOH-LJQANCHMSA-N 2 2 398.511 0.769 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC2)CC1 ZINC000660573186 1189907712 /nfs/dbraw/zinc/90/77/12/1189907712.db2.gz GUQMZDKMPGIJMX-QAPCUYQASA-N 2 2 377.533 0.855 20 0 GCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660632584 1189918214 /nfs/dbraw/zinc/91/82/14/1189918214.db2.gz PDNPBFRYEVLYDV-SFHVURJKSA-N 2 2 380.533 0.644 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660628040 1189918579 /nfs/dbraw/zinc/91/85/79/1189918579.db2.gz ZFXDIMCYSRYUNL-QGZVFWFLSA-N 2 2 381.521 0.045 20 0 GCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000975245513 1189932705 /nfs/dbraw/zinc/93/27/05/1189932705.db2.gz GTVHBEHPBBAVCE-YFHUEUNASA-N 2 2 382.468 0.788 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660711771 1189939562 /nfs/dbraw/zinc/93/95/62/1189939562.db2.gz GSBJRGUYBFWSQZ-PKOBYXMFSA-N 3 2 379.549 0.707 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660711771 1189939564 /nfs/dbraw/zinc/93/95/64/1189939564.db2.gz GSBJRGUYBFWSQZ-PKOBYXMFSA-N 3 2 379.549 0.707 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C2CC2)C2(CO)CCC2)CC1 ZINC000660773010 1189948668 /nfs/dbraw/zinc/94/86/68/1189948668.db2.gz PVWWPOJUDCKVOS-UHFFFAOYSA-N 2 2 399.499 0.391 20 0 GCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C2CC2)C2(CO)CCC2)CC1 ZINC000660773010 1189948670 /nfs/dbraw/zinc/94/86/70/1189948670.db2.gz PVWWPOJUDCKVOS-UHFFFAOYSA-N 2 2 399.499 0.391 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC000660868392 1189960981 /nfs/dbraw/zinc/96/09/81/1189960981.db2.gz ZWZJRFSFSMKMPO-INIZCTEOSA-N 2 2 381.521 0.045 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC000975780180 1189975083 /nfs/dbraw/zinc/97/50/83/1189975083.db2.gz TVUYMXCZVAXSEQ-LAVFITLUSA-N 2 2 389.500 0.360 20 0 GCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC000975780180 1189975084 /nfs/dbraw/zinc/97/50/84/1189975084.db2.gz TVUYMXCZVAXSEQ-LAVFITLUSA-N 2 2 389.500 0.360 20 0 GCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661008401 1189980235 /nfs/dbraw/zinc/98/02/35/1189980235.db2.gz BSSKQAWYOXGZEF-WOJBJXKFSA-N 2 2 388.512 0.869 20 0 GCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661008401 1189980238 /nfs/dbraw/zinc/98/02/38/1189980238.db2.gz BSSKQAWYOXGZEF-WOJBJXKFSA-N 2 2 388.512 0.869 20 0 GCADLP C[C@H](O)CN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661065775 1189986356 /nfs/dbraw/zinc/98/63/56/1189986356.db2.gz FMCBCLGIULSSIM-CGTJXYLNSA-N 2 2 382.549 0.621 20 0 GCADLP C[C@H](O)CN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661065775 1189986359 /nfs/dbraw/zinc/98/63/59/1189986359.db2.gz FMCBCLGIULSSIM-CGTJXYLNSA-N 2 2 382.549 0.621 20 0 GCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662732216 1190012856 /nfs/dbraw/zinc/01/28/56/1190012856.db2.gz ORRSJPQGICALJH-NUJGCVRESA-N 2 2 376.505 0.966 20 0 GCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661232710 1190020493 /nfs/dbraw/zinc/02/04/93/1190020493.db2.gz JXBMVGBVZZEDTA-FGTMMUONSA-N 2 2 378.517 0.395 20 0 GCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661232710 1190020499 /nfs/dbraw/zinc/02/04/99/1190020499.db2.gz JXBMVGBVZZEDTA-FGTMMUONSA-N 2 2 378.517 0.395 20 0 GCADLP C[C@H]([C@H](C)NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000246544972 1193723404 /nfs/dbraw/zinc/72/34/04/1193723404.db2.gz XTDBVOUKVUCYNT-SQGPQFPESA-N 2 2 390.528 0.814 20 0 GCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000512666759 1193730219 /nfs/dbraw/zinc/73/02/19/1193730219.db2.gz MBMGQTNCEWQYEZ-SJORKVTESA-N 2 2 388.578 0.869 20 0 GCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000512666759 1193730223 /nfs/dbraw/zinc/73/02/23/1193730223.db2.gz MBMGQTNCEWQYEZ-SJORKVTESA-N 2 2 388.578 0.869 20 0 GCADLP O=C1NC[C@H]2C[NH+](Cc3cccc(C[N@@H+]4CCN5C(=O)NC[C@H]5C4)c3)CCN12 ZINC000247235824 1193735147 /nfs/dbraw/zinc/73/51/47/1193735147.db2.gz SNFHHISNLFOWEX-ROUUACIJSA-N 2 2 384.484 0.105 20 0 GCADLP O=C1NC[C@H]2C[NH+](Cc3cccc(C[N@H+]4CCN5C(=O)NC[C@H]5C4)c3)CCN12 ZINC000247235824 1193735151 /nfs/dbraw/zinc/73/51/51/1193735151.db2.gz SNFHHISNLFOWEX-ROUUACIJSA-N 2 2 384.484 0.105 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000549877547 1193746799 /nfs/dbraw/zinc/74/67/99/1193746799.db2.gz HCUZARYMGICOMM-GASCZTMLSA-N 2 2 382.549 0.979 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000549877547 1193746801 /nfs/dbraw/zinc/74/68/01/1193746801.db2.gz HCUZARYMGICOMM-GASCZTMLSA-N 2 2 382.549 0.979 20 0 GCADLP CN(C)c1nc(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)cc[nH+]1 ZINC000433149640 1193765778 /nfs/dbraw/zinc/76/57/78/1193765778.db2.gz DPZYBCBIDLBOPP-UHFFFAOYSA-N 3 2 375.521 0.395 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270064 1193778228 /nfs/dbraw/zinc/77/82/28/1193778228.db2.gz COXAQKQGEDPNGA-RHSMWYFYSA-N 2 2 385.468 0.777 20 0 GCADLP CC(C)(CNC(=O)C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC000411976790 1193796395 /nfs/dbraw/zinc/79/63/95/1193796395.db2.gz IWMUUJUIQFDKEP-MSOLQXFVSA-N 2 2 388.512 0.414 20 0 GCADLP CC(C)(CNC(=O)C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC000411976790 1193796400 /nfs/dbraw/zinc/79/64/00/1193796400.db2.gz IWMUUJUIQFDKEP-MSOLQXFVSA-N 2 2 388.512 0.414 20 0 GCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247875388 1193825230 /nfs/dbraw/zinc/82/52/30/1193825230.db2.gz YLJIQUUHKFXQLX-YDZRNGNQSA-N 2 2 381.565 0.906 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131505 1193857285 /nfs/dbraw/zinc/85/72/85/1193857285.db2.gz ZSGGPXJPIMEEQX-APWZRJJASA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131505 1193857291 /nfs/dbraw/zinc/85/72/91/1193857291.db2.gz ZSGGPXJPIMEEQX-APWZRJJASA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131505 1193857296 /nfs/dbraw/zinc/85/72/96/1193857296.db2.gz ZSGGPXJPIMEEQX-APWZRJJASA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131505 1193857300 /nfs/dbraw/zinc/85/73/00/1193857300.db2.gz ZSGGPXJPIMEEQX-APWZRJJASA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131508 1193857444 /nfs/dbraw/zinc/85/74/44/1193857444.db2.gz ZSGGPXJPIMEEQX-VQIMIIECSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131508 1193857447 /nfs/dbraw/zinc/85/74/47/1193857447.db2.gz ZSGGPXJPIMEEQX-VQIMIIECSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131508 1193857451 /nfs/dbraw/zinc/85/74/51/1193857451.db2.gz ZSGGPXJPIMEEQX-VQIMIIECSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131508 1193857454 /nfs/dbraw/zinc/85/74/54/1193857454.db2.gz ZSGGPXJPIMEEQX-VQIMIIECSA-N 3 2 379.549 0.396 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000419381599 1193884038 /nfs/dbraw/zinc/88/40/38/1193884038.db2.gz CNGIRARHQGUFIT-BRWVUGGUSA-N 2 2 394.903 0.648 20 0 GCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000419381599 1193884043 /nfs/dbraw/zinc/88/40/43/1193884043.db2.gz CNGIRARHQGUFIT-BRWVUGGUSA-N 2 2 394.903 0.648 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385171 1193894043 /nfs/dbraw/zinc/89/40/43/1193894043.db2.gz HJASHRYLPJDFOP-PMPSAXMXSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000419385171 1193894049 /nfs/dbraw/zinc/89/40/49/1193894049.db2.gz HJASHRYLPJDFOP-PMPSAXMXSA-N 2 2 380.876 0.388 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000419392475 1193918823 /nfs/dbraw/zinc/91/88/23/1193918823.db2.gz OJFIGDFHODZROZ-ULQDDVLXSA-N 2 2 394.903 0.696 20 0 GCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000419392475 1193918825 /nfs/dbraw/zinc/91/88/25/1193918825.db2.gz OJFIGDFHODZROZ-ULQDDVLXSA-N 2 2 394.903 0.696 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419392547 1193919377 /nfs/dbraw/zinc/91/93/77/1193919377.db2.gz OMPHVLJHRVXEMV-XYPHTWIQSA-N 2 2 394.903 0.648 20 0 GCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419392547 1193919379 /nfs/dbraw/zinc/91/93/79/1193919379.db2.gz OMPHVLJHRVXEMV-XYPHTWIQSA-N 2 2 394.903 0.648 20 0 GCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419393305 1193919567 /nfs/dbraw/zinc/91/95/67/1193919567.db2.gz PUOFVYBZLPKNBE-IXDOHACOSA-N 2 2 394.903 0.681 20 0 GCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c2ccc(Cl)cc2)C1 ZINC000419393305 1193919568 /nfs/dbraw/zinc/91/95/68/1193919568.db2.gz PUOFVYBZLPKNBE-IXDOHACOSA-N 2 2 394.903 0.681 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433571590 1193921167 /nfs/dbraw/zinc/92/11/67/1193921167.db2.gz PRIJTWLGBHAEDO-SFHVURJKSA-N 2 2 387.532 0.915 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433571590 1193921168 /nfs/dbraw/zinc/92/11/68/1193921168.db2.gz PRIJTWLGBHAEDO-SFHVURJKSA-N 2 2 387.532 0.915 20 0 GCADLP [NH3+][C@H](C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CCOCC1 ZINC000261638901 1193922060 /nfs/dbraw/zinc/92/20/60/1193922060.db2.gz DJVBRSYDNJFQTQ-IBGZPJMESA-N 2 2 377.485 0.768 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000419394044 1193930271 /nfs/dbraw/zinc/93/02/71/1193930271.db2.gz RKNBJVZKBRHLDV-CVEARBPZSA-N 2 2 382.892 0.683 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000419394044 1193930275 /nfs/dbraw/zinc/93/02/75/1193930275.db2.gz RKNBJVZKBRHLDV-CVEARBPZSA-N 2 2 382.892 0.683 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC001087464804 1193939481 /nfs/dbraw/zinc/93/94/81/1193939481.db2.gz FQNHOWLLQWWIGH-BNEJOLLZSA-N 2 2 376.476 0.925 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC001087464804 1193939485 /nfs/dbraw/zinc/93/94/85/1193939485.db2.gz FQNHOWLLQWWIGH-BNEJOLLZSA-N 2 2 376.476 0.925 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)CC[NH+]1C ZINC001087464804 1193939487 /nfs/dbraw/zinc/93/94/87/1193939487.db2.gz FQNHOWLLQWWIGH-BNEJOLLZSA-N 2 2 376.476 0.925 20 0 GCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)CC[NH+]1C ZINC001087464804 1193939490 /nfs/dbraw/zinc/93/94/90/1193939490.db2.gz FQNHOWLLQWWIGH-BNEJOLLZSA-N 2 2 376.476 0.925 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000513463671 1193953802 /nfs/dbraw/zinc/95/38/02/1193953802.db2.gz PAMBTGUQSZHGOG-CABCVRRESA-N 2 2 384.521 0.175 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000513463671 1193953803 /nfs/dbraw/zinc/95/38/03/1193953803.db2.gz PAMBTGUQSZHGOG-CABCVRRESA-N 2 2 384.521 0.175 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000513463673 1193953906 /nfs/dbraw/zinc/95/39/06/1193953906.db2.gz PAMBTGUQSZHGOG-HUUCEWRRSA-N 2 2 384.521 0.175 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000513463673 1193953909 /nfs/dbraw/zinc/95/39/09/1193953909.db2.gz PAMBTGUQSZHGOG-HUUCEWRRSA-N 2 2 384.521 0.175 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000513603809 1193966132 /nfs/dbraw/zinc/96/61/32/1193966132.db2.gz RRNNOYPBBKCOIP-RCCFBDPRSA-N 2 2 394.560 0.791 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000513603809 1193966134 /nfs/dbraw/zinc/96/61/34/1193966134.db2.gz RRNNOYPBBKCOIP-RCCFBDPRSA-N 2 2 394.560 0.791 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@H+]3CC=CCC3)cc2)CC1 ZINC000280580243 1194005789 /nfs/dbraw/zinc/00/57/89/1194005789.db2.gz YNMQAJOZPKMYDQ-UHFFFAOYSA-N 2 2 399.495 0.391 20 0 GCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@@H+]3CC=CCC3)cc2)CC1 ZINC000280580243 1194005794 /nfs/dbraw/zinc/00/57/94/1194005794.db2.gz YNMQAJOZPKMYDQ-UHFFFAOYSA-N 2 2 399.495 0.391 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419398868 1194018391 /nfs/dbraw/zinc/01/83/91/1194018391.db2.gz IKJSIEWLQLDJPX-RYRKJORJSA-N 2 2 390.553 0.929 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419398868 1194018397 /nfs/dbraw/zinc/01/83/97/1194018397.db2.gz IKJSIEWLQLDJPX-RYRKJORJSA-N 2 2 390.553 0.929 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419397668 1194018680 /nfs/dbraw/zinc/01/86/80/1194018680.db2.gz YHQJJEGNOHEDJJ-CVEARBPZSA-N 2 2 382.892 0.554 20 0 GCADLP CC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419397668 1194018685 /nfs/dbraw/zinc/01/86/85/1194018685.db2.gz YHQJJEGNOHEDJJ-CVEARBPZSA-N 2 2 382.892 0.554 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419404528 1194020675 /nfs/dbraw/zinc/02/06/75/1194020675.db2.gz TXMQTSLOBPGRDR-RDJZCZTQSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419404528 1194020680 /nfs/dbraw/zinc/02/06/80/1194020680.db2.gz TXMQTSLOBPGRDR-RDJZCZTQSA-N 2 2 376.526 0.541 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419404529 1194021075 /nfs/dbraw/zinc/02/10/75/1194021075.db2.gz TXMQTSLOBPGRDR-WBVHZDCISA-N 2 2 376.526 0.541 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419404529 1194021080 /nfs/dbraw/zinc/02/10/80/1194021080.db2.gz TXMQTSLOBPGRDR-WBVHZDCISA-N 2 2 376.526 0.541 20 0 GCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419455513 1194033090 /nfs/dbraw/zinc/03/30/90/1194033090.db2.gz XDQPVADPTOISLA-GBESFXJTSA-N 2 2 399.539 0.666 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[C@H](C)[NH2+]1 ZINC000419506657 1194047470 /nfs/dbraw/zinc/04/74/70/1194047470.db2.gz NOXBKPZBDDDMCR-HOTGVXAUSA-N 2 2 391.491 0.273 20 0 GCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419508323 1194048159 /nfs/dbraw/zinc/04/81/59/1194048159.db2.gz RECNORFZVDUQRJ-QGZVFWFLSA-N 2 2 391.491 0.322 20 0 GCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419507049 1194048511 /nfs/dbraw/zinc/04/85/11/1194048511.db2.gz OPYOPPKMEDIWEY-DOTOQJQBSA-N 2 2 391.491 0.308 20 0 GCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419512959 1194050950 /nfs/dbraw/zinc/05/09/50/1194050950.db2.gz YMDWDLORUXMNIO-MRXNPFEDSA-N 2 2 391.491 0.132 20 0 GCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513268 1194051877 /nfs/dbraw/zinc/05/18/77/1194051877.db2.gz YWQLNNDULUZDSM-FGTMMUONSA-N 2 2 387.528 0.522 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1c1cccc(F)c1 ZINC000419657038 1194074476 /nfs/dbraw/zinc/07/44/76/1194074476.db2.gz VADVXVSMUIIOGZ-ZWKOTPCHSA-N 2 2 399.470 0.971 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1c1ccccc1F ZINC000419734993 1194090476 /nfs/dbraw/zinc/09/04/76/1194090476.db2.gz VVPKIDJSUMHNAK-QILLFSRXSA-N 2 2 397.454 0.869 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1c1ccccc1F ZINC000419734998 1194090569 /nfs/dbraw/zinc/09/05/69/1194090569.db2.gz VVPKIDJSUMHNAK-UWWQBHOKSA-N 2 2 397.454 0.869 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419848189 1194113808 /nfs/dbraw/zinc/11/38/08/1194113808.db2.gz UCLPRFMNSFPILT-QZTJIDSGSA-N 3 2 381.565 0.508 20 0 GCADLP C[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419848189 1194113812 /nfs/dbraw/zinc/11/38/12/1194113812.db2.gz UCLPRFMNSFPILT-QZTJIDSGSA-N 3 2 381.565 0.508 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000419829267 1194115344 /nfs/dbraw/zinc/11/53/44/1194115344.db2.gz SRZXCPDWBFXDRN-ULQDDVLXSA-N 2 2 388.512 0.732 20 0 GCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419860682 1194123986 /nfs/dbraw/zinc/12/39/86/1194123986.db2.gz CIBPKFZLDXRLOX-UHFFFAOYSA-N 2 2 387.528 0.051 20 0 GCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419861757 1194124395 /nfs/dbraw/zinc/12/43/95/1194124395.db2.gz PTXVHZUTDTXVTI-KRWDZBQOSA-N 2 2 376.476 0.976 20 0 GCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419861757 1194124399 /nfs/dbraw/zinc/12/43/99/1194124399.db2.gz PTXVHZUTDTXVTI-KRWDZBQOSA-N 2 2 376.476 0.976 20 0 GCADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000419895865 1194135996 /nfs/dbraw/zinc/13/59/96/1194135996.db2.gz PVQBGNRYPUBIPO-MOPGFXCFSA-N 2 2 386.496 0.564 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419969379 1194149486 /nfs/dbraw/zinc/14/94/86/1194149486.db2.gz SBLVJEPKKWVOOL-SFHVURJKSA-N 3 2 381.565 0.495 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419969379 1194149490 /nfs/dbraw/zinc/14/94/90/1194149490.db2.gz SBLVJEPKKWVOOL-SFHVURJKSA-N 3 2 381.565 0.495 20 0 GCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000419981093 1194151851 /nfs/dbraw/zinc/15/18/51/1194151851.db2.gz RQQLTUURZSVMLM-CQSZACIVSA-N 2 2 376.505 0.529 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419996068 1194154579 /nfs/dbraw/zinc/15/45/79/1194154579.db2.gz MYAGYUYLVRQAEV-NJAFHUGGSA-N 3 2 381.565 0.636 20 0 GCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419996068 1194154581 /nfs/dbraw/zinc/15/45/81/1194154581.db2.gz MYAGYUYLVRQAEV-NJAFHUGGSA-N 3 2 381.565 0.636 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420027631 1194159782 /nfs/dbraw/zinc/15/97/82/1194159782.db2.gz DAOXRRODLODCRC-ALYAQQCSSA-N 2 2 396.532 0.316 20 0 GCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420027631 1194159784 /nfs/dbraw/zinc/15/97/84/1194159784.db2.gz DAOXRRODLODCRC-ALYAQQCSSA-N 2 2 396.532 0.316 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420046371 1194168277 /nfs/dbraw/zinc/16/82/77/1194168277.db2.gz AAOGJNJDFBJKGB-IAGOWNOFSA-N 3 2 381.565 0.636 20 0 GCADLP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420046371 1194168278 /nfs/dbraw/zinc/16/82/78/1194168278.db2.gz AAOGJNJDFBJKGB-IAGOWNOFSA-N 3 2 381.565 0.636 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000420049639 1194169519 /nfs/dbraw/zinc/16/95/19/1194169519.db2.gz ZITAQUVMANAJAI-INIZCTEOSA-N 2 2 396.532 0.511 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000420049639 1194169522 /nfs/dbraw/zinc/16/95/22/1194169522.db2.gz ZITAQUVMANAJAI-INIZCTEOSA-N 2 2 396.532 0.511 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420084509 1194174625 /nfs/dbraw/zinc/17/46/25/1194174625.db2.gz ABKOXTUYQZTDHU-QZTJIDSGSA-N 3 2 393.576 0.780 20 0 GCADLP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420084509 1194174627 /nfs/dbraw/zinc/17/46/27/1194174627.db2.gz ABKOXTUYQZTDHU-QZTJIDSGSA-N 3 2 393.576 0.780 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000420101521 1194178030 /nfs/dbraw/zinc/17/80/30/1194178030.db2.gz MKSXSHJHKNQDDG-AWEZNQCLSA-N 2 2 388.468 0.002 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000420101521 1194178036 /nfs/dbraw/zinc/17/80/36/1194178036.db2.gz MKSXSHJHKNQDDG-AWEZNQCLSA-N 2 2 388.468 0.002 20 0 GCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159029 1194191302 /nfs/dbraw/zinc/19/13/02/1194191302.db2.gz HOJLLERXJQWRGO-SJORKVTESA-N 2 2 380.533 0.450 20 0 GCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159029 1194191303 /nfs/dbraw/zinc/19/13/03/1194191303.db2.gz HOJLLERXJQWRGO-SJORKVTESA-N 2 2 380.533 0.450 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420160742 1194191363 /nfs/dbraw/zinc/19/13/63/1194191363.db2.gz VICDYFIBZLWRMO-NZSAHSFTSA-N 3 2 395.592 0.896 20 0 GCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420160742 1194191365 /nfs/dbraw/zinc/19/13/65/1194191365.db2.gz VICDYFIBZLWRMO-NZSAHSFTSA-N 3 2 395.592 0.896 20 0 GCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000420185065 1194198501 /nfs/dbraw/zinc/19/85/01/1194198501.db2.gz JGOCJBIPOVKIAK-SFHVURJKSA-N 2 2 392.475 0.355 20 0 GCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000420185065 1194198508 /nfs/dbraw/zinc/19/85/08/1194198508.db2.gz JGOCJBIPOVKIAK-SFHVURJKSA-N 2 2 392.475 0.355 20 0 GCADLP CCCn1c(N)c(C(=O)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(=O)[nH]c1=O ZINC000420379111 1194225389 /nfs/dbraw/zinc/22/53/89/1194225389.db2.gz MPWDOCPDIMOOJP-BBRMVZONSA-N 2 2 393.488 0.342 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420390645 1194226776 /nfs/dbraw/zinc/22/67/76/1194226776.db2.gz ACBAHXGDHJRBQF-UMVBOHGHSA-N 2 2 380.514 0.528 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420390645 1194226779 /nfs/dbraw/zinc/22/67/79/1194226779.db2.gz ACBAHXGDHJRBQF-UMVBOHGHSA-N 2 2 380.514 0.528 20 0 GCADLP CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000420399899 1194228497 /nfs/dbraw/zinc/22/84/97/1194228497.db2.gz CLEHXPUOZIGTPH-UHFFFAOYSA-N 2 2 398.529 0.441 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(=O)[nH]c1=O ZINC000420403197 1194228625 /nfs/dbraw/zinc/22/86/25/1194228625.db2.gz KUGGRPYAEQJZMY-ZIAGYGMSSA-N 2 2 394.520 0.601 20 0 GCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(=O)[nH]c1=O ZINC000420403197 1194228626 /nfs/dbraw/zinc/22/86/26/1194228626.db2.gz KUGGRPYAEQJZMY-ZIAGYGMSSA-N 2 2 394.520 0.601 20 0 GCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000421133314 1194298478 /nfs/dbraw/zinc/29/84/78/1194298478.db2.gz VNJQMQHKIUAVOA-BBWFWOEESA-N 2 2 382.549 0.932 20 0 GCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000421133314 1194298480 /nfs/dbraw/zinc/29/84/80/1194298480.db2.gz VNJQMQHKIUAVOA-BBWFWOEESA-N 2 2 382.549 0.932 20 0 GCADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000421133314 1194298483 /nfs/dbraw/zinc/29/84/83/1194298483.db2.gz VNJQMQHKIUAVOA-BBWFWOEESA-N 2 2 382.549 0.932 20 0 GCADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000421133314 1194298485 /nfs/dbraw/zinc/29/84/85/1194298485.db2.gz VNJQMQHKIUAVOA-BBWFWOEESA-N 2 2 382.549 0.932 20 0 GCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000502836083 1194361828 /nfs/dbraw/zinc/36/18/28/1194361828.db2.gz NFQHVXFIODXYEU-OALUTQOASA-N 2 2 388.512 0.639 20 0 GCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC2)CC1 ZINC000422028919 1194377748 /nfs/dbraw/zinc/37/77/48/1194377748.db2.gz YUQRSJDSMYLMSS-KRWDZBQOSA-N 2 2 388.578 0.579 20 0 GCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC2)CC1 ZINC000422028919 1194377751 /nfs/dbraw/zinc/37/77/51/1194377751.db2.gz YUQRSJDSMYLMSS-KRWDZBQOSA-N 2 2 388.578 0.579 20 0 GCADLP CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000503140820 1194396711 /nfs/dbraw/zinc/39/67/11/1194396711.db2.gz MSEKNVOHICLVTE-KLAILNCOSA-N 2 2 398.548 0.889 20 0 GCADLP CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000503140820 1194396716 /nfs/dbraw/zinc/39/67/16/1194396716.db2.gz MSEKNVOHICLVTE-KLAILNCOSA-N 2 2 398.548 0.889 20 0 GCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000271799035 1194413531 /nfs/dbraw/zinc/41/35/31/1194413531.db2.gz KVKXVFTZFBOMGH-INIZCTEOSA-N 2 2 377.489 0.841 20 0 GCADLP Cc1ccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000272483287 1194465597 /nfs/dbraw/zinc/46/55/97/1194465597.db2.gz MKIVJZWPLUPFTB-UHFFFAOYSA-N 2 2 397.545 0.150 20 0 GCADLP Cc1ccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000272483287 1194465601 /nfs/dbraw/zinc/46/56/01/1194465601.db2.gz MKIVJZWPLUPFTB-UHFFFAOYSA-N 2 2 397.545 0.150 20 0 GCADLP CCOC(=O)COCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422210212 1194590470 /nfs/dbraw/zinc/59/04/70/1194590470.db2.gz OQJKBNPDDQWWCA-UHFFFAOYSA-N 2 2 384.521 0.768 20 0 GCADLP CCOC(=O)COCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422210212 1194590474 /nfs/dbraw/zinc/59/04/74/1194590474.db2.gz OQJKBNPDDQWWCA-UHFFFAOYSA-N 2 2 384.521 0.768 20 0 GCADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000422283786 1194602448 /nfs/dbraw/zinc/60/24/48/1194602448.db2.gz HCDPBLMAPSWEIE-QGZVFWFLSA-N 2 2 376.501 0.414 20 0 GCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000422283786 1194602450 /nfs/dbraw/zinc/60/24/50/1194602450.db2.gz HCDPBLMAPSWEIE-QGZVFWFLSA-N 2 2 376.501 0.414 20 0 GCADLP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422283786 1194602453 /nfs/dbraw/zinc/60/24/53/1194602453.db2.gz HCDPBLMAPSWEIE-QGZVFWFLSA-N 2 2 376.501 0.414 20 0 GCADLP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422283786 1194602454 /nfs/dbraw/zinc/60/24/54/1194602454.db2.gz HCDPBLMAPSWEIE-QGZVFWFLSA-N 2 2 376.501 0.414 20 0 GCADLP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000422314807 1194611621 /nfs/dbraw/zinc/61/16/21/1194611621.db2.gz YMRIBCBQJXOYPC-UHFFFAOYSA-N 2 2 398.548 0.030 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000422321627 1194613335 /nfs/dbraw/zinc/61/33/35/1194613335.db2.gz XNTDBMSXUGAOCN-MJGOQNOKSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000422321627 1194613336 /nfs/dbraw/zinc/61/33/36/1194613336.db2.gz XNTDBMSXUGAOCN-MJGOQNOKSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000422321627 1194613338 /nfs/dbraw/zinc/61/33/38/1194613338.db2.gz XNTDBMSXUGAOCN-MJGOQNOKSA-N 2 2 387.528 0.081 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000422321627 1194613342 /nfs/dbraw/zinc/61/33/42/1194613342.db2.gz XNTDBMSXUGAOCN-MJGOQNOKSA-N 2 2 387.528 0.081 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc(C)[nH+]1 ZINC000422585656 1194669004 /nfs/dbraw/zinc/66/90/04/1194669004.db2.gz DJHYZJJXIBWJRJ-QGZVFWFLSA-N 2 2 387.484 0.080 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc(C)[nH+]1 ZINC000422585656 1194669007 /nfs/dbraw/zinc/66/90/07/1194669007.db2.gz DJHYZJJXIBWJRJ-QGZVFWFLSA-N 2 2 387.484 0.080 20 0 GCADLP Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc(C)[nH+]1 ZINC000422591796 1194670309 /nfs/dbraw/zinc/67/03/09/1194670309.db2.gz RQWUWXNKXGDVLZ-UHFFFAOYSA-N 2 2 387.484 0.081 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636613 1194679675 /nfs/dbraw/zinc/67/96/75/1194679675.db2.gz NFQNEDBTAXCGSO-CTASWTNQSA-N 2 2 394.541 0.917 20 0 GCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636613 1194679679 /nfs/dbraw/zinc/67/96/79/1194679679.db2.gz NFQNEDBTAXCGSO-CTASWTNQSA-N 2 2 394.541 0.917 20 0 GCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985995 1194715434 /nfs/dbraw/zinc/71/54/34/1194715434.db2.gz GFZFCIPOZSPLRX-SQNIBIBYSA-N 2 2 390.532 0.639 20 0 GCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1c1ccccc1F ZINC000422996481 1194715983 /nfs/dbraw/zinc/71/59/83/1194715983.db2.gz SUWGMJQUPSQVSE-FUHWJXTLSA-N 2 2 397.454 0.823 20 0 GCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)c1 ZINC000423013177 1194717597 /nfs/dbraw/zinc/71/75/97/1194717597.db2.gz MFTFNHRCPDFCKH-HXUWFJFHSA-N 2 2 399.539 0.145 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423029546 1194719658 /nfs/dbraw/zinc/71/96/58/1194719658.db2.gz IHTZWCCCQCPBHG-HXUWFJFHSA-N 2 2 388.516 0.754 20 0 GCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423029991 1194719692 /nfs/dbraw/zinc/71/96/92/1194719692.db2.gz AZUCOTOPRNJFSM-QGZVFWFLSA-N 2 2 376.476 0.928 20 0 GCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423029991 1194719694 /nfs/dbraw/zinc/71/96/94/1194719694.db2.gz AZUCOTOPRNJFSM-QGZVFWFLSA-N 2 2 376.476 0.928 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000423035674 1194720931 /nfs/dbraw/zinc/72/09/31/1194720931.db2.gz JPZAGZSLOQLJOG-QGZVFWFLSA-N 2 2 378.448 0.046 20 0 GCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000423035674 1194720932 /nfs/dbraw/zinc/72/09/32/1194720932.db2.gz JPZAGZSLOQLJOG-QGZVFWFLSA-N 2 2 378.448 0.046 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423128166 1194729248 /nfs/dbraw/zinc/72/92/48/1194729248.db2.gz KLIMGLWXVBVWHZ-CGTJXYLNSA-N 3 2 379.549 0.057 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423128166 1194729249 /nfs/dbraw/zinc/72/92/49/1194729249.db2.gz KLIMGLWXVBVWHZ-CGTJXYLNSA-N 3 2 379.549 0.057 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000423316885 1194747276 /nfs/dbraw/zinc/74/72/76/1194747276.db2.gz BJRANIXOCBOBAN-SOLBZPMBSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000423316885 1194747278 /nfs/dbraw/zinc/74/72/78/1194747278.db2.gz BJRANIXOCBOBAN-SOLBZPMBSA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423301203 1194748180 /nfs/dbraw/zinc/74/81/80/1194748180.db2.gz STTCZGSOAFEJRZ-QUCCMNQESA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423301203 1194748182 /nfs/dbraw/zinc/74/81/82/1194748182.db2.gz STTCZGSOAFEJRZ-QUCCMNQESA-N 2 2 399.539 0.225 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000423331990 1194749418 /nfs/dbraw/zinc/74/94/18/1194749418.db2.gz QPTXKLCZSYJRRG-OGWHTMIXSA-N 2 2 388.512 0.507 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000423331990 1194749421 /nfs/dbraw/zinc/74/94/21/1194749421.db2.gz QPTXKLCZSYJRRG-OGWHTMIXSA-N 2 2 388.512 0.507 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000423370298 1194751690 /nfs/dbraw/zinc/75/16/90/1194751690.db2.gz FOSWTBFBOLKWLZ-ROUUACIJSA-N 2 2 387.528 0.476 20 0 GCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC2)cc[nH+]1 ZINC000423423600 1194754429 /nfs/dbraw/zinc/75/44/29/1194754429.db2.gz MAHRBWRAVGOBOM-UHFFFAOYSA-N 2 2 386.500 0.424 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529119 1194761426 /nfs/dbraw/zinc/76/14/26/1194761426.db2.gz NXHHKHLZCJFOQD-WDSOQIARSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423529119 1194761429 /nfs/dbraw/zinc/76/14/29/1194761429.db2.gz NXHHKHLZCJFOQD-WDSOQIARSA-N 3 2 393.576 0.602 20 0 GCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523043 1194762633 /nfs/dbraw/zinc/76/26/33/1194762633.db2.gz MVTNZEJIROWCBW-DOTOQJQBSA-N 3 2 384.546 0.556 20 0 GCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000423558310 1194763780 /nfs/dbraw/zinc/76/37/80/1194763780.db2.gz SEGCGNWLIDBROE-GOSISDBHSA-N 2 2 392.544 0.548 20 0 GCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000423558310 1194763783 /nfs/dbraw/zinc/76/37/83/1194763783.db2.gz SEGCGNWLIDBROE-GOSISDBHSA-N 2 2 392.544 0.548 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)[C@@H](C)C1 ZINC000423538163 1194764996 /nfs/dbraw/zinc/76/49/96/1194764996.db2.gz LZZGGENAOYXEBJ-HNNXBMFYSA-N 2 2 394.516 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)[C@@H](C)C1 ZINC000423538163 1194765000 /nfs/dbraw/zinc/76/50/00/1194765000.db2.gz LZZGGENAOYXEBJ-HNNXBMFYSA-N 2 2 394.516 0.073 20 0 GCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[C@H](C)C1 ZINC000423539564 1194765147 /nfs/dbraw/zinc/76/51/47/1194765147.db2.gz OXGWHRYOUCVXGT-WBVHZDCISA-N 2 2 394.516 0.073 20 0 GCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[C@H](C)C1 ZINC000423539564 1194765150 /nfs/dbraw/zinc/76/51/50/1194765150.db2.gz OXGWHRYOUCVXGT-WBVHZDCISA-N 2 2 394.516 0.073 20 0 GCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000423609058 1194772798 /nfs/dbraw/zinc/77/27/98/1194772798.db2.gz OKNXXKGRCYAYRK-MRXNPFEDSA-N 2 2 388.516 0.897 20 0 GCADLP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)[C@@H](C[NH3+])C1 ZINC000423629550 1194775531 /nfs/dbraw/zinc/77/55/31/1194775531.db2.gz BKSRDLHGRCNYHZ-MOPGFXCFSA-N 2 2 388.512 0.604 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423627762 1194778711 /nfs/dbraw/zinc/77/87/11/1194778711.db2.gz JAXUCAOLUXEKBJ-MSOLQXFVSA-N 2 2 387.528 0.476 20 0 GCADLP COc1cccc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000549966824 1194778979 /nfs/dbraw/zinc/77/89/79/1194778979.db2.gz USTJBNWVILCVSD-UHFFFAOYSA-N 2 2 388.512 0.986 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000423665310 1194781621 /nfs/dbraw/zinc/78/16/21/1194781621.db2.gz HEDHCDZTESMMKH-IPMKNSEASA-N 2 2 388.512 0.336 20 0 GCADLP CO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000423665310 1194781624 /nfs/dbraw/zinc/78/16/24/1194781624.db2.gz HEDHCDZTESMMKH-IPMKNSEASA-N 2 2 388.512 0.336 20 0 GCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000423705584 1194786706 /nfs/dbraw/zinc/78/67/06/1194786706.db2.gz LLPSIMCFHJWWRK-MSOLQXFVSA-N 2 2 388.512 0.967 20 0 GCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000423705584 1194786709 /nfs/dbraw/zinc/78/67/09/1194786709.db2.gz LLPSIMCFHJWWRK-MSOLQXFVSA-N 2 2 388.512 0.967 20 0 GCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727806 1194789976 /nfs/dbraw/zinc/78/99/76/1194789976.db2.gz KXYULZVLZCNIIB-FCGDIQPGSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727806 1194789977 /nfs/dbraw/zinc/78/99/77/1194789977.db2.gz KXYULZVLZCNIIB-FCGDIQPGSA-N 2 2 394.560 0.935 20 0 GCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000424105474 1194801817 /nfs/dbraw/zinc/80/18/17/1194801817.db2.gz JYYXKSPZOCFPQQ-UHFFFAOYSA-N 2 2 398.548 0.125 20 0 GCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000424340249 1194809184 /nfs/dbraw/zinc/80/91/84/1194809184.db2.gz XPQQVBYAEJKKPK-QZTJIDSGSA-N 2 2 394.541 0.520 20 0 GCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000424339857 1194809267 /nfs/dbraw/zinc/80/92/67/1194809267.db2.gz WYQFXPDTIGLMSY-IAGOWNOFSA-N 2 2 396.513 0.506 20 0 GCADLP Cc1cccc(N2CCC(NC(=O)C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)CC2)[nH+]1 ZINC000424561746 1194824799 /nfs/dbraw/zinc/82/47/99/1194824799.db2.gz ZEUNFUZZVDZCBH-AWEZNQCLSA-N 2 2 395.454 0.836 20 0 GCADLP Cc1cccc(N2CCC(NC(=O)C(=O)NC[C@H]3CC[NH2+]CC3(F)F)CC2)[nH+]1 ZINC000424561750 1194824897 /nfs/dbraw/zinc/82/48/97/1194824897.db2.gz ZEUNFUZZVDZCBH-CQSZACIVSA-N 2 2 395.454 0.836 20 0 GCADLP C=C(Cl)C(=O)N1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)c[nH+]2)C1 ZINC001269882445 1194879776 /nfs/dbraw/zinc/87/97/76/1194879776.db2.gz NRJMTUNTCHNFEX-HUUCEWRRSA-N 2 2 379.892 0.925 20 0 GCADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652731236 1194925963 /nfs/dbraw/zinc/92/59/63/1194925963.db2.gz FGUMWRFBCXVMIJ-QXAKKESOSA-N 2 2 388.512 0.542 20 0 GCADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652731236 1194925965 /nfs/dbraw/zinc/92/59/65/1194925965.db2.gz FGUMWRFBCXVMIJ-QXAKKESOSA-N 2 2 388.512 0.542 20 0 GCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514938349 1194931134 /nfs/dbraw/zinc/93/11/34/1194931134.db2.gz HIFWRLRQABYXAC-ZWKOTPCHSA-N 3 2 379.549 0.071 20 0 GCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1 ZINC000505695823 1194932859 /nfs/dbraw/zinc/93/28/59/1194932859.db2.gz QNJLWQSFKLCUHX-FXAWDEMLSA-N 2 2 378.517 0.111 20 0 GCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1 ZINC000505695823 1194932861 /nfs/dbraw/zinc/93/28/61/1194932861.db2.gz QNJLWQSFKLCUHX-FXAWDEMLSA-N 2 2 378.517 0.111 20 0 GCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000515054128 1194942180 /nfs/dbraw/zinc/94/21/80/1194942180.db2.gz DXLXQBIMZCRLMR-SFHVURJKSA-N 2 2 396.495 0.532 20 0 GCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000515054128 1194942182 /nfs/dbraw/zinc/94/21/82/1194942182.db2.gz DXLXQBIMZCRLMR-SFHVURJKSA-N 2 2 396.495 0.532 20 0 GCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000435583375 1194946040 /nfs/dbraw/zinc/94/60/40/1194946040.db2.gz IXGPRLOHHBAUBM-LJQANCHMSA-N 2 2 391.516 0.381 20 0 GCADLP Cc1ncsc1C[N@@H+]1CCO[C@@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992609 1194949527 /nfs/dbraw/zinc/94/95/27/1194949527.db2.gz RHXUWEYNHNCONG-KRWDZBQOSA-N 2 2 380.518 0.470 20 0 GCADLP Cc1ncsc1C[N@H+]1CCO[C@@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992609 1194949528 /nfs/dbraw/zinc/94/95/28/1194949528.db2.gz RHXUWEYNHNCONG-KRWDZBQOSA-N 2 2 380.518 0.470 20 0 GCADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061218 1194982937 /nfs/dbraw/zinc/98/29/37/1194982937.db2.gz SWSCOFGYGZUARS-KRWDZBQOSA-N 2 2 375.473 0.903 20 0 GCADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061218 1194982938 /nfs/dbraw/zinc/98/29/38/1194982938.db2.gz SWSCOFGYGZUARS-KRWDZBQOSA-N 2 2 375.473 0.903 20 0 GCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436064629 1194983546 /nfs/dbraw/zinc/98/35/46/1194983546.db2.gz ZXHYVXGAHQJYHJ-OWCLPIDISA-N 2 2 381.521 0.710 20 0 GCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436064629 1194983549 /nfs/dbraw/zinc/98/35/49/1194983549.db2.gz ZXHYVXGAHQJYHJ-OWCLPIDISA-N 2 2 381.521 0.710 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000983372873 1195035699 /nfs/dbraw/zinc/03/56/99/1195035699.db2.gz MPXMQSSKPITFLE-BZZMCLGOSA-N 2 2 391.516 0.662 20 0 GCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000983372873 1195035703 /nfs/dbraw/zinc/03/57/03/1195035703.db2.gz MPXMQSSKPITFLE-BZZMCLGOSA-N 2 2 391.516 0.662 20 0 GCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1 ZINC000414901845 1195097129 /nfs/dbraw/zinc/09/71/29/1195097129.db2.gz GZMCLTLXUIKWFU-CQSZACIVSA-N 2 2 376.457 0.440 20 0 GCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000414904513 1195108968 /nfs/dbraw/zinc/10/89/68/1195108968.db2.gz LXJBJUQYWCPUGG-CQSZACIVSA-N 2 2 392.456 0.058 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425823262 1195121412 /nfs/dbraw/zinc/12/14/12/1195121412.db2.gz VOVIBYICRWJOTG-DOTOQJQBSA-N 2 2 387.484 0.718 20 0 GCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425823262 1195121415 /nfs/dbraw/zinc/12/14/15/1195121415.db2.gz VOVIBYICRWJOTG-DOTOQJQBSA-N 2 2 387.484 0.718 20 0 GCADLP C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000517136426 1195140680 /nfs/dbraw/zinc/14/06/80/1195140680.db2.gz JZKNHJBHLSQVHO-SJORKVTESA-N 2 2 381.521 0.045 20 0 GCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000517136657 1195140947 /nfs/dbraw/zinc/14/09/47/1195140947.db2.gz PSPHYECHCFMICX-IRXDYDNUSA-N 2 2 383.537 0.291 20 0 GCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN(C)[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000517154962 1195144325 /nfs/dbraw/zinc/14/43/25/1195144325.db2.gz USMRJGXZEGMOOQ-SFHVURJKSA-N 2 2 390.528 0.950 20 0 GCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414912506 1195147706 /nfs/dbraw/zinc/14/77/06/1195147706.db2.gz YHHICSNQCYBVPN-CQSZACIVSA-N 2 2 388.468 0.367 20 0 GCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414913000 1195149619 /nfs/dbraw/zinc/14/96/19/1195149619.db2.gz ZFUSURSDFLTPFS-KGLIPLIRSA-N 2 2 376.457 0.741 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000517250232 1195164533 /nfs/dbraw/zinc/16/45/33/1195164533.db2.gz OOJGHFWVQFIYJY-SFHVURJKSA-N 2 2 382.549 0.650 20 0 GCADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000517250359 1195164914 /nfs/dbraw/zinc/16/49/14/1195164914.db2.gz UNWVPYZXHLTJBG-CEXWTWQISA-N 2 2 394.560 0.935 20 0 GCADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000517250359 1195164916 /nfs/dbraw/zinc/16/49/16/1195164916.db2.gz UNWVPYZXHLTJBG-CEXWTWQISA-N 2 2 394.560 0.935 20 0 GCADLP C[NH+]1CCN([C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407249 1195180039 /nfs/dbraw/zinc/18/00/39/1195180039.db2.gz SMZVJMAQSIXRTR-OALUTQOASA-N 2 2 387.528 0.431 20 0 GCADLP C[NH+]1CCN([C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407249 1195180041 /nfs/dbraw/zinc/18/00/41/1195180041.db2.gz SMZVJMAQSIXRTR-OALUTQOASA-N 2 2 387.528 0.431 20 0 GCADLP COC(=O)CCc1nnc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000438318827 1195206405 /nfs/dbraw/zinc/20/64/05/1195206405.db2.gz HGZKAYUKDZAIEA-UHFFFAOYSA-N 2 2 398.533 1.133 20 0 GCADLP COC(=O)CCc1nnc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000438318827 1195206408 /nfs/dbraw/zinc/20/64/08/1195206408.db2.gz HGZKAYUKDZAIEA-UHFFFAOYSA-N 2 2 398.533 1.133 20 0 GCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438334295 1195206433 /nfs/dbraw/zinc/20/64/33/1195206433.db2.gz YTBGFOMXSWCELL-QGZVFWFLSA-N 2 2 394.520 0.790 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000518235630 1195271359 /nfs/dbraw/zinc/27/13/59/1195271359.db2.gz BDFIZZMXWWBIPA-RTBURBONSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCC[NH+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000518511716 1195298811 /nfs/dbraw/zinc/29/88/11/1195298811.db2.gz XONVEQYUGCWYFZ-OTWHNJEPSA-N 2 2 382.549 0.087 20 0 GCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCC[NH+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000518511716 1195298815 /nfs/dbraw/zinc/29/88/15/1195298815.db2.gz XONVEQYUGCWYFZ-OTWHNJEPSA-N 2 2 382.549 0.087 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000518511716 1195298818 /nfs/dbraw/zinc/29/88/18/1195298818.db2.gz XONVEQYUGCWYFZ-OTWHNJEPSA-N 2 2 382.549 0.087 20 0 GCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000518511716 1195298821 /nfs/dbraw/zinc/29/88/21/1195298821.db2.gz XONVEQYUGCWYFZ-OTWHNJEPSA-N 2 2 382.549 0.087 20 0 GCADLP [NH3+]CC1CCC([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000518753879 1195326857 /nfs/dbraw/zinc/32/68/57/1195326857.db2.gz RSLZNLHYLXHIMP-UHFFFAOYSA-N 3 2 381.546 0.641 20 0 GCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000519208566 1195380830 /nfs/dbraw/zinc/38/08/30/1195380830.db2.gz AIBXDWJCLFQMHM-GUDVDZBRSA-N 2 2 381.565 0.907 20 0 GCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000519208566 1195380832 /nfs/dbraw/zinc/38/08/32/1195380832.db2.gz AIBXDWJCLFQMHM-GUDVDZBRSA-N 2 2 381.565 0.907 20 0 GCADLP CCc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH+](CCOC)CC2)[NH+](C)C)cc1 ZINC000550027287 1195393783 /nfs/dbraw/zinc/39/37/83/1195393783.db2.gz DDHIWIXLKKXUDS-LJQANCHMSA-N 2 2 390.528 0.759 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000519353647 1195396024 /nfs/dbraw/zinc/39/60/24/1195396024.db2.gz UDNLEKHCBBDIFJ-SFHVURJKSA-N 3 2 394.564 0.184 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000519353647 1195396027 /nfs/dbraw/zinc/39/60/27/1195396027.db2.gz UDNLEKHCBBDIFJ-SFHVURJKSA-N 3 2 394.564 0.184 20 0 GCADLP CCn1cc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](OCC[NH+](CC)CC)C3)C2=O)cn1 ZINC000473643997 1195426902 /nfs/dbraw/zinc/42/69/02/1195426902.db2.gz BNVOWEFSWGEYCZ-IAGOWNOFSA-N 2 2 377.489 0.968 20 0 GCADLP CCn1cc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](OCC[NH+](CC)CC)C3)C2=O)cn1 ZINC000473643997 1195426905 /nfs/dbraw/zinc/42/69/05/1195426905.db2.gz BNVOWEFSWGEYCZ-IAGOWNOFSA-N 2 2 377.489 0.968 20 0 GCADLP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894559648 1195443530 /nfs/dbraw/zinc/44/35/30/1195443530.db2.gz PCTGXMRLMLXAGH-MRXNPFEDSA-N 2 2 397.527 0.909 20 0 GCADLP COc1ccc([C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001087474631 1195453921 /nfs/dbraw/zinc/45/39/21/1195453921.db2.gz PWOWQFPNVPGISK-OAOYMFHYSA-N 2 2 388.512 0.795 20 0 GCADLP COc1ccc([C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001087474631 1195453924 /nfs/dbraw/zinc/45/39/24/1195453924.db2.gz PWOWQFPNVPGISK-OAOYMFHYSA-N 2 2 388.512 0.795 20 0 GCADLP COc1ccc([C@@H]2CC[NH+](CC(N)=O)C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001087474631 1195453925 /nfs/dbraw/zinc/45/39/25/1195453925.db2.gz PWOWQFPNVPGISK-OAOYMFHYSA-N 2 2 388.512 0.795 20 0 GCADLP COc1ccc([C@@H]2CC[NH+](CC(N)=O)C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001087474631 1195453930 /nfs/dbraw/zinc/45/39/30/1195453930.db2.gz PWOWQFPNVPGISK-OAOYMFHYSA-N 2 2 388.512 0.795 20 0 GCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550204632 1195461519 /nfs/dbraw/zinc/46/15/19/1195461519.db2.gz TXEVWJVHIAUQDM-HZPDHXFCSA-N 2 2 398.548 0.217 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000550275738 1195475061 /nfs/dbraw/zinc/47/50/61/1195475061.db2.gz DGIVUPUYSVDCOI-IRXDYDNUSA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000550275738 1195475064 /nfs/dbraw/zinc/47/50/64/1195475064.db2.gz DGIVUPUYSVDCOI-IRXDYDNUSA-N 2 2 382.549 0.696 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCOCC1 ZINC000550278865 1195480572 /nfs/dbraw/zinc/48/05/72/1195480572.db2.gz PQXBGBNOJHQGME-OALUTQOASA-N 2 2 394.560 0.650 20 0 GCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCOCC1 ZINC000550278865 1195480573 /nfs/dbraw/zinc/48/05/73/1195480573.db2.gz PQXBGBNOJHQGME-OALUTQOASA-N 2 2 394.560 0.650 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883775 1195551396 /nfs/dbraw/zinc/55/13/96/1195551396.db2.gz MUPDWNFYGLLBMW-DUQJVZAFSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883775 1195551397 /nfs/dbraw/zinc/55/13/97/1195551397.db2.gz MUPDWNFYGLLBMW-DUQJVZAFSA-N 2 2 395.548 0.478 20 0 GCADLP C[C@H]1C[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883775 1195551403 /nfs/dbraw/zinc/55/14/03/1195551403.db2.gz MUPDWNFYGLLBMW-DUQJVZAFSA-N 2 2 395.548 0.478 20 0 GCADLP CN(C(=O)CNc1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000519703448 1195564107 /nfs/dbraw/zinc/56/41/07/1195564107.db2.gz KCKJCNPKJNIJBJ-UHFFFAOYSA-N 2 2 387.528 0.795 20 0 GCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000519700567 1195564270 /nfs/dbraw/zinc/56/42/70/1195564270.db2.gz AQBKKOIICFMZMH-OKZBNKHCSA-N 2 2 382.549 0.791 20 0 GCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000519700567 1195564274 /nfs/dbraw/zinc/56/42/74/1195564274.db2.gz AQBKKOIICFMZMH-OKZBNKHCSA-N 2 2 382.549 0.791 20 0 GCADLP COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000441271498 1195619211 /nfs/dbraw/zinc/61/92/11/1195619211.db2.gz YEMCAXJLXYIMCS-IBGZPJMESA-N 2 2 390.484 0.366 20 0 GCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000647971265 1195634242 /nfs/dbraw/zinc/63/42/42/1195634242.db2.gz DNUCEZNHJBMYPM-IAGOWNOFSA-N 2 2 392.525 0.061 20 0 GCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000647971265 1195634246 /nfs/dbraw/zinc/63/42/46/1195634246.db2.gz DNUCEZNHJBMYPM-IAGOWNOFSA-N 2 2 392.525 0.061 20 0 GCADLP CC(C)Nc1nc(NC[C@H](c2ccccc2Cl)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000550334617 1195635983 /nfs/dbraw/zinc/63/59/83/1195635983.db2.gz RKXUPBNIMPVOKP-OAHLLOKOSA-N 2 2 393.923 0.730 20 0 GCADLP C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000427564943 1195641433 /nfs/dbraw/zinc/64/14/33/1195641433.db2.gz LQYCVCGEJAKSAZ-WBVHZDCISA-N 2 2 399.499 1.395 20 0 GCADLP CC(C)C[C@H](CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000550357460 1195643164 /nfs/dbraw/zinc/64/31/64/1195643164.db2.gz BWVZCHWDABIPBX-CTWPCTMYSA-N 2 2 394.560 0.983 20 0 GCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328822189 1195667040 /nfs/dbraw/zinc/66/70/40/1195667040.db2.gz IAWBLQPCMQEVPC-NUJGCVRESA-N 2 2 375.517 0.848 20 0 GCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]Cc2csnn2)CC3)CC1 ZINC000328831524 1195669284 /nfs/dbraw/zinc/66/92/84/1195669284.db2.gz KYMVIZDTSIOKDC-ZDUSSCGKSA-N 2 2 375.502 0.474 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000328954920 1195678499 /nfs/dbraw/zinc/67/84/99/1195678499.db2.gz OPNZYYVHJOKSDI-JENIJYKNSA-N 2 2 379.549 0.023 20 0 GCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000328954920 1195678502 /nfs/dbraw/zinc/67/85/02/1195678502.db2.gz OPNZYYVHJOKSDI-JENIJYKNSA-N 2 2 379.549 0.023 20 0 GCADLP CC(C)[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330680047 1195701466 /nfs/dbraw/zinc/70/14/66/1195701466.db2.gz LPINUWKDYBDMTI-GPMSIDNRSA-N 2 2 382.549 0.789 20 0 GCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000729497312 1195744688 /nfs/dbraw/zinc/74/46/88/1195744688.db2.gz RKUDXWSELKWYEW-JZXOWHBKSA-N 2 2 384.546 0.357 20 0 GCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1C ZINC000550414023 1195754592 /nfs/dbraw/zinc/75/45/92/1195754592.db2.gz HJSWLVBOEADHLG-INIZCTEOSA-N 2 2 386.500 0.391 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000141461931 1195769676 /nfs/dbraw/zinc/76/96/76/1195769676.db2.gz SDACUTXNSGUMSI-KRWDZBQOSA-N 2 2 380.514 0.115 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000141461931 1195769680 /nfs/dbraw/zinc/76/96/80/1195769680.db2.gz SDACUTXNSGUMSI-KRWDZBQOSA-N 2 2 380.514 0.115 20 0 GCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000983940669 1195802800 /nfs/dbraw/zinc/80/28/00/1195802800.db2.gz ILRIQRFDDPZITA-ZJPYXAASSA-N 2 2 391.516 0.736 20 0 GCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000983940669 1195802802 /nfs/dbraw/zinc/80/28/02/1195802802.db2.gz ILRIQRFDDPZITA-ZJPYXAASSA-N 2 2 391.516 0.736 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428027782 1195905537 /nfs/dbraw/zinc/90/55/37/1195905537.db2.gz BVUVELKJXZHFEA-FRFSOERESA-N 2 2 380.514 0.065 20 0 GCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428027782 1195905540 /nfs/dbraw/zinc/90/55/40/1195905540.db2.gz BVUVELKJXZHFEA-FRFSOERESA-N 2 2 380.514 0.065 20 0 GCADLP COCC[NH+]1CCC([NH2+]C2CN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 ZINC000428072947 1195909918 /nfs/dbraw/zinc/90/99/18/1195909918.db2.gz DNJDVTOKWWPBRH-UHFFFAOYSA-N 2 2 383.514 0.769 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000550455804 1195963907 /nfs/dbraw/zinc/96/39/07/1195963907.db2.gz NIAGSJIVRPYVQZ-QGZVFWFLSA-N 2 2 377.489 0.520 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000550455804 1195963909 /nfs/dbraw/zinc/96/39/09/1195963909.db2.gz NIAGSJIVRPYVQZ-QGZVFWFLSA-N 2 2 377.489 0.520 20 0 GCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000442292400 1195972798 /nfs/dbraw/zinc/97/27/98/1195972798.db2.gz MMLUEZKQAQKLCH-DLBZAZTESA-N 2 2 387.528 0.924 20 0 GCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000442292400 1195972800 /nfs/dbraw/zinc/97/28/00/1195972800.db2.gz MMLUEZKQAQKLCH-DLBZAZTESA-N 2 2 387.528 0.924 20 0 GCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000521216906 1195979356 /nfs/dbraw/zinc/97/93/56/1195979356.db2.gz QQKIGCPMEJGRSL-QZTJIDSGSA-N 2 2 395.935 0.916 20 0 GCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000521216906 1195979357 /nfs/dbraw/zinc/97/93/57/1195979357.db2.gz QQKIGCPMEJGRSL-QZTJIDSGSA-N 2 2 395.935 0.916 20 0 GCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000550489930 1196055683 /nfs/dbraw/zinc/05/56/83/1196055683.db2.gz SNJRIBWRTVZCDC-SFHVURJKSA-N 2 2 382.549 0.842 20 0 GCADLP CC(C)COCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000550504373 1196062044 /nfs/dbraw/zinc/06/20/44/1196062044.db2.gz CWNWTUISHDCVNL-UHFFFAOYSA-N 2 2 382.549 0.840 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)CC1 ZINC000429686465 1196076332 /nfs/dbraw/zinc/07/63/32/1196076332.db2.gz ZKVCOTDSCCEXSZ-UHFFFAOYSA-N 2 2 378.521 0.649 20 0 GCADLP c1nc(N2CCN(CC[N@@H+]3CCCOCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000429684673 1196076707 /nfs/dbraw/zinc/07/67/07/1196076707.db2.gz KVCRCMOCRWLBBQ-UHFFFAOYSA-N 2 2 376.505 0.158 20 0 GCADLP c1nc(N2CCN(CC[N@H+]3CCCOCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000429684673 1196076708 /nfs/dbraw/zinc/07/67/08/1196076708.db2.gz KVCRCMOCRWLBBQ-UHFFFAOYSA-N 2 2 376.505 0.158 20 0 GCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550580758 1196093169 /nfs/dbraw/zinc/09/31/69/1196093169.db2.gz BLHTYTVIJHEIOR-IRXDYDNUSA-N 2 2 382.549 0.791 20 0 GCADLP C[NH+]1CCN([C@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c2cccs2)CC1 ZINC000895468850 1196097348 /nfs/dbraw/zinc/09/73/48/1196097348.db2.gz WIJMIRPFBIODJL-IAGOWNOFSA-N 2 2 378.542 0.874 20 0 GCADLP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000895753278 1196111047 /nfs/dbraw/zinc/11/10/47/1196111047.db2.gz PPNSGAJYCJLKDP-QGZVFWFLSA-N 2 2 396.532 0.766 20 0 GCADLP COC(=O)C(C)(C)CC[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000474479016 1196120555 /nfs/dbraw/zinc/12/05/55/1196120555.db2.gz QNJBJDPEOYDKGW-UHFFFAOYSA-N 2 2 398.529 0.712 20 0 GCADLP O=C(CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000896023550 1196123106 /nfs/dbraw/zinc/12/31/06/1196123106.db2.gz ASIFROSSSYXIDV-IBGZPJMESA-N 2 2 386.496 0.168 20 0 GCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000896203722 1196133201 /nfs/dbraw/zinc/13/32/01/1196133201.db2.gz OHTWJMQODRYRJA-FQEVSTJZSA-N 2 2 390.528 0.952 20 0 GCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000896203722 1196133202 /nfs/dbraw/zinc/13/32/02/1196133202.db2.gz OHTWJMQODRYRJA-FQEVSTJZSA-N 2 2 390.528 0.952 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000896279009 1196140682 /nfs/dbraw/zinc/14/06/82/1196140682.db2.gz YLZGVLQPFNLAHJ-KRWDZBQOSA-N 2 2 376.505 0.849 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000896279009 1196140684 /nfs/dbraw/zinc/14/06/84/1196140684.db2.gz YLZGVLQPFNLAHJ-KRWDZBQOSA-N 2 2 376.505 0.849 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nc(N(C)C)no4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971708 1196142446 /nfs/dbraw/zinc/14/24/46/1196142446.db2.gz OTFLHNJWUMSEJB-LVQVYYBASA-N 2 2 376.505 0.756 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nc(N(C)C)no4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971708 1196142448 /nfs/dbraw/zinc/14/24/48/1196142448.db2.gz OTFLHNJWUMSEJB-LVQVYYBASA-N 2 2 376.505 0.756 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(N(C)C)no4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971708 1196142450 /nfs/dbraw/zinc/14/24/50/1196142450.db2.gz OTFLHNJWUMSEJB-LVQVYYBASA-N 2 2 376.505 0.756 20 0 GCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nc(N(C)C)no4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971708 1196142452 /nfs/dbraw/zinc/14/24/52/1196142452.db2.gz OTFLHNJWUMSEJB-LVQVYYBASA-N 2 2 376.505 0.756 20 0 GCADLP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896533263 1196153853 /nfs/dbraw/zinc/15/38/53/1196153853.db2.gz HASWWWDCXSWLFA-ARFHVFGLSA-N 2 2 385.553 0.582 20 0 GCADLP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC000896533263 1196153859 /nfs/dbraw/zinc/15/38/59/1196153859.db2.gz HASWWWDCXSWLFA-ARFHVFGLSA-N 2 2 385.553 0.582 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000896539741 1196157292 /nfs/dbraw/zinc/15/72/92/1196157292.db2.gz BFTQFCBEJJKVHG-YLJYHZDGSA-N 3 2 379.593 0.933 20 0 GCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000896539741 1196157293 /nfs/dbraw/zinc/15/72/93/1196157293.db2.gz BFTQFCBEJJKVHG-YLJYHZDGSA-N 3 2 379.593 0.933 20 0 GCADLP C[C@H]1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329279415 1196182554 /nfs/dbraw/zinc/18/25/54/1196182554.db2.gz MMRFJJIMIQCZTL-DLBZAZTESA-N 2 2 380.533 0.498 20 0 GCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329288603 1196182813 /nfs/dbraw/zinc/18/28/13/1196182813.db2.gz MUUAGCXURTYUKI-ZWKOTPCHSA-N 2 2 378.517 0.254 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001088000651 1196212142 /nfs/dbraw/zinc/21/21/42/1196212142.db2.gz UNJLPAWUZGMYKN-QKPAOTATSA-N 2 2 385.468 0.443 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001088000651 1196212145 /nfs/dbraw/zinc/21/21/45/1196212145.db2.gz UNJLPAWUZGMYKN-QKPAOTATSA-N 2 2 385.468 0.443 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001088000651 1196212148 /nfs/dbraw/zinc/21/21/48/1196212148.db2.gz UNJLPAWUZGMYKN-QKPAOTATSA-N 2 2 385.468 0.443 20 0 GCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001088000651 1196212152 /nfs/dbraw/zinc/21/21/52/1196212152.db2.gz UNJLPAWUZGMYKN-QKPAOTATSA-N 2 2 385.468 0.443 20 0 GCADLP CN(C(=O)C(=O)NCCOCC1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643416524 1196215614 /nfs/dbraw/zinc/21/56/14/1196215614.db2.gz GASOYYVZNIBBAG-LJQANCHMSA-N 2 2 394.560 0.936 20 0 GCADLP CN(C(=O)C(=O)NCCOCC1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643416524 1196215616 /nfs/dbraw/zinc/21/56/16/1196215616.db2.gz GASOYYVZNIBBAG-LJQANCHMSA-N 2 2 394.560 0.936 20 0 GCADLP C[C@H]1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329651284 1196215866 /nfs/dbraw/zinc/21/58/66/1196215866.db2.gz CSLUJFFXMRFZHX-HOTGVXAUSA-N 2 2 393.532 0.438 20 0 GCADLP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088011480 1196216520 /nfs/dbraw/zinc/21/65/20/1196216520.db2.gz PNTUHBHKARNZFQ-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088011480 1196216523 /nfs/dbraw/zinc/21/65/23/1196216523.db2.gz PNTUHBHKARNZFQ-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088011480 1196216525 /nfs/dbraw/zinc/21/65/25/1196216525.db2.gz PNTUHBHKARNZFQ-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088011480 1196216528 /nfs/dbraw/zinc/21/65/28/1196216528.db2.gz PNTUHBHKARNZFQ-XLMAVXFVSA-N 2 2 376.505 0.297 20 0 GCADLP CN(C(=O)[C@]1(C)CCC(=O)NC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329842542 1196233655 /nfs/dbraw/zinc/23/36/55/1196233655.db2.gz PBHFMZPWDKQDIV-HXUWFJFHSA-N 2 2 393.532 0.440 20 0 GCADLP CN(C(=O)CCc1ccnn1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330037879 1196248297 /nfs/dbraw/zinc/24/82/97/1196248297.db2.gz ZORBOXYRYPITHP-UHFFFAOYSA-N 2 2 390.532 0.050 20 0 GCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000281190062 1196282880 /nfs/dbraw/zinc/28/28/80/1196282880.db2.gz ZOCWNPOKEVKMBC-UHFFFAOYSA-N 2 2 399.495 0.794 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281719022 1196325301 /nfs/dbraw/zinc/32/53/01/1196325301.db2.gz RTNBSTXDJLSSHI-OAHLLOKOSA-N 2 2 381.908 0.702 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281719022 1196325306 /nfs/dbraw/zinc/32/53/06/1196325306.db2.gz RTNBSTXDJLSSHI-OAHLLOKOSA-N 2 2 381.908 0.702 20 0 GCADLP COCCNS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655702384 1196361141 /nfs/dbraw/zinc/36/11/41/1196361141.db2.gz VDHJUKNHHJTBKD-GOSISDBHSA-N 2 2 397.541 0.954 20 0 GCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1)C1CC1 ZINC001088111609 1196364356 /nfs/dbraw/zinc/36/43/56/1196364356.db2.gz JVMASXVJLNURGU-CYGHRXIMSA-N 2 2 385.512 0.925 20 0 GCADLP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1)C1CC1 ZINC001088111609 1196364359 /nfs/dbraw/zinc/36/43/59/1196364359.db2.gz JVMASXVJLNURGU-CYGHRXIMSA-N 2 2 385.512 0.925 20 0 GCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000670984116 1196365685 /nfs/dbraw/zinc/36/56/85/1196365685.db2.gz OMGDWDSFCOLXBG-HKUYNNGSSA-N 3 2 393.576 0.461 20 0 GCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000670984116 1196365689 /nfs/dbraw/zinc/36/56/89/1196365689.db2.gz OMGDWDSFCOLXBG-HKUYNNGSSA-N 3 2 393.576 0.461 20 0 GCADLP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670984116 1196365693 /nfs/dbraw/zinc/36/56/93/1196365693.db2.gz OMGDWDSFCOLXBG-HKUYNNGSSA-N 3 2 393.576 0.461 20 0 GCADLP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670984116 1196365696 /nfs/dbraw/zinc/36/56/96/1196365696.db2.gz OMGDWDSFCOLXBG-HKUYNNGSSA-N 3 2 393.576 0.461 20 0 GCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000103168844 1196373954 /nfs/dbraw/zinc/37/39/54/1196373954.db2.gz SDMFHYRLVUUWMM-GOSISDBHSA-N 2 2 379.476 0.943 20 0 GCADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000897002294 1196382686 /nfs/dbraw/zinc/38/26/86/1196382686.db2.gz UPXZLGIWYNPYPE-HOTGVXAUSA-N 2 2 382.505 0.374 20 0 GCADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000897002294 1196382689 /nfs/dbraw/zinc/38/26/89/1196382689.db2.gz UPXZLGIWYNPYPE-HOTGVXAUSA-N 2 2 382.505 0.374 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000104533708 1196385682 /nfs/dbraw/zinc/38/56/82/1196385682.db2.gz WOWHFHVWEAXETK-UHFFFAOYSA-N 2 2 381.502 0.303 20 0 GCADLP CCOc1cc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)ncn1 ZINC000475422536 1196413362 /nfs/dbraw/zinc/41/33/62/1196413362.db2.gz FHFIWVJKCGZHRF-UHFFFAOYSA-N 2 2 376.505 0.550 20 0 GCADLP CO[C@@](C)([C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643422489 1196415321 /nfs/dbraw/zinc/41/53/21/1196415321.db2.gz MWMAWHHZPYMNAG-KLHJMIIUSA-N 2 2 394.560 0.933 20 0 GCADLP CO[C@@](C)([C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643422489 1196415325 /nfs/dbraw/zinc/41/53/25/1196415325.db2.gz MWMAWHHZPYMNAG-KLHJMIIUSA-N 2 2 394.560 0.933 20 0 GCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000508483097 1196445576 /nfs/dbraw/zinc/44/55/76/1196445576.db2.gz DWZVMQIXDCDZRJ-FGTMMUONSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000508483097 1196445579 /nfs/dbraw/zinc/44/55/79/1196445579.db2.gz DWZVMQIXDCDZRJ-FGTMMUONSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CN(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000508483097 1196445584 /nfs/dbraw/zinc/44/55/84/1196445584.db2.gz DWZVMQIXDCDZRJ-FGTMMUONSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CN(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000508483097 1196445589 /nfs/dbraw/zinc/44/55/89/1196445589.db2.gz DWZVMQIXDCDZRJ-FGTMMUONSA-N 2 2 398.548 0.027 20 0 GCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000523057384 1196452417 /nfs/dbraw/zinc/45/24/17/1196452417.db2.gz GLYPKIQPTCGNMT-UHFFFAOYSA-N 2 2 375.473 0.679 20 0 GCADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000475569729 1196468649 /nfs/dbraw/zinc/46/86/49/1196468649.db2.gz QGPHENGYMBUPGS-IBGZPJMESA-N 2 2 393.488 0.052 20 0 GCADLP COCCO[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000444748222 1196518964 /nfs/dbraw/zinc/51/89/64/1196518964.db2.gz HYDQRHDNEDRMCS-FQEVSTJZSA-N 2 2 391.512 0.872 20 0 GCADLP COCCO[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000444748222 1196518967 /nfs/dbraw/zinc/51/89/67/1196518967.db2.gz HYDQRHDNEDRMCS-FQEVSTJZSA-N 2 2 391.512 0.872 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000523655191 1196542819 /nfs/dbraw/zinc/54/28/19/1196542819.db2.gz NMHCJAKESRCQNO-IAGOWNOFSA-N 2 2 378.517 0.646 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000523655191 1196542824 /nfs/dbraw/zinc/54/28/24/1196542824.db2.gz NMHCJAKESRCQNO-IAGOWNOFSA-N 2 2 378.517 0.646 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000925167489 1196567200 /nfs/dbraw/zinc/56/72/00/1196567200.db2.gz QJODQJAZAQGXHT-IAGOWNOFSA-N 2 2 386.562 0.556 20 0 GCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925167489 1196567204 /nfs/dbraw/zinc/56/72/04/1196567204.db2.gz QJODQJAZAQGXHT-IAGOWNOFSA-N 2 2 386.562 0.556 20 0 GCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000897340506 1196576204 /nfs/dbraw/zinc/57/62/04/1196576204.db2.gz SCRISSFBOYWNCM-HZPDHXFCSA-N 2 2 392.500 0.633 20 0 GCADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000897340506 1196576208 /nfs/dbraw/zinc/57/62/08/1196576208.db2.gz SCRISSFBOYWNCM-HZPDHXFCSA-N 2 2 392.500 0.633 20 0 GCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000445917752 1196599121 /nfs/dbraw/zinc/59/91/21/1196599121.db2.gz UEKGOVWJCUJULT-UHFFFAOYSA-N 2 2 389.500 0.309 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000524780256 1196624311 /nfs/dbraw/zinc/62/43/11/1196624311.db2.gz WGBVCZZZOMHHBV-IAGOWNOFSA-N 2 2 388.516 0.902 20 0 GCADLP C[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000524780256 1196624313 /nfs/dbraw/zinc/62/43/13/1196624313.db2.gz WGBVCZZZOMHHBV-IAGOWNOFSA-N 2 2 388.516 0.902 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446257589 1196629195 /nfs/dbraw/zinc/62/91/95/1196629195.db2.gz GQAUXUIMVQCHFZ-DJPFJPOOSA-N 2 2 394.560 0.922 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446257589 1196629198 /nfs/dbraw/zinc/62/91/98/1196629198.db2.gz GQAUXUIMVQCHFZ-DJPFJPOOSA-N 2 2 394.560 0.922 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524990832 1196643182 /nfs/dbraw/zinc/64/31/82/1196643182.db2.gz CPCIAKHKEIRXDX-FXAWDEMLSA-N 2 2 376.501 0.643 20 0 GCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524990832 1196643185 /nfs/dbraw/zinc/64/31/85/1196643185.db2.gz CPCIAKHKEIRXDX-FXAWDEMLSA-N 2 2 376.501 0.643 20 0 GCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000525452002 1196682964 /nfs/dbraw/zinc/68/29/64/1196682964.db2.gz HXGZOWGCEQHLBQ-SFHVURJKSA-N 3 2 387.594 0.329 20 0 GCADLP CCOC1CC(CNC(=O)NCC2(O)CC[NH+](C)CC2)([NH+]2CCOCC2)C1 ZINC000446940789 1196684134 /nfs/dbraw/zinc/68/41/34/1196684134.db2.gz WTWOODKLNKDVQT-UHFFFAOYSA-N 2 2 384.521 0.012 20 0 GCADLP COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000447065476 1196691115 /nfs/dbraw/zinc/69/11/15/1196691115.db2.gz ANZWWYJMHUZXRM-WMZOPIPTSA-N 2 2 379.505 0.074 20 0 GCADLP CN(C(=O)[C@@H]1CCC[C@H](O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000527129620 1196765749 /nfs/dbraw/zinc/76/57/49/1196765749.db2.gz LSTZFTJXIXRGRE-AEFFLSMTSA-N 2 2 380.533 0.234 20 0 GCADLP CN(C(=O)[C@@H]1CCC[C@@H](O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000527129622 1196765963 /nfs/dbraw/zinc/76/59/63/1196765963.db2.gz LSTZFTJXIXRGRE-SJLPKXTDSA-N 2 2 380.533 0.234 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NCC[N@@H+]1CCCOCC1 ZINC000527335252 1196780415 /nfs/dbraw/zinc/78/04/15/1196780415.db2.gz KDCPKZZJNFYPBR-UHFFFAOYSA-N 2 2 375.517 0.830 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NCC[N@H+]1CCCOCC1 ZINC000527335252 1196780418 /nfs/dbraw/zinc/78/04/18/1196780418.db2.gz KDCPKZZJNFYPBR-UHFFFAOYSA-N 2 2 375.517 0.830 20 0 GCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000448478839 1196807933 /nfs/dbraw/zinc/80/79/33/1196807933.db2.gz QCXCNXVEJDFNOC-UHFFFAOYSA-N 2 2 395.467 0.944 20 0 GCADLP COC(=O)Cn1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000449074898 1196852058 /nfs/dbraw/zinc/85/20/58/1196852058.db2.gz LQHQKVYAEXFRKE-IBGZPJMESA-N 2 2 386.500 0.920 20 0 GCADLP COC(=O)Cn1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000449074898 1196852064 /nfs/dbraw/zinc/85/20/64/1196852064.db2.gz LQHQKVYAEXFRKE-IBGZPJMESA-N 2 2 386.500 0.920 20 0 GCADLP CCC[C@@H](OCC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528447695 1196859507 /nfs/dbraw/zinc/85/95/07/1196859507.db2.gz HUJREIYBAOCJTK-GOSISDBHSA-N 2 2 382.549 0.888 20 0 GCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528451999 1196860293 /nfs/dbraw/zinc/86/02/93/1196860293.db2.gz QAJVSWHUSMYKKD-YZLZLFLDSA-N 2 2 394.560 0.743 20 0 GCADLP CC(C)(CNC(=O)CN1CCC(C)([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000528728977 1196882948 /nfs/dbraw/zinc/88/29/48/1196882948.db2.gz MLHCNHNPSZJNLU-UHFFFAOYSA-N 2 2 382.549 0.400 20 0 GCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000529301051 1196911730 /nfs/dbraw/zinc/91/17/30/1196911730.db2.gz SZWRRKOMQXEWRX-KRWDZBQOSA-N 2 2 378.473 0.185 20 0 GCADLP COCCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323142 1196924987 /nfs/dbraw/zinc/92/49/87/1196924987.db2.gz FRWXSMODVGEKQM-VQTJNVASSA-N 2 2 392.544 0.940 20 0 GCADLP COCCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323142 1196924990 /nfs/dbraw/zinc/92/49/90/1196924990.db2.gz FRWXSMODVGEKQM-VQTJNVASSA-N 2 2 392.544 0.940 20 0 GCADLP CC(C)(C[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1)C(N)=O ZINC000451209721 1196979658 /nfs/dbraw/zinc/97/96/58/1196979658.db2.gz HVAHMLXTWRQMOX-MRXNPFEDSA-N 2 2 382.549 0.827 20 0 GCADLP CC(C)(C[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1)C(N)=O ZINC000451209721 1196979660 /nfs/dbraw/zinc/97/96/60/1196979660.db2.gz HVAHMLXTWRQMOX-MRXNPFEDSA-N 2 2 382.549 0.827 20 0 GCADLP COC[C@]1(C(=O)OC)CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451332820 1196988977 /nfs/dbraw/zinc/98/89/77/1196988977.db2.gz IRDQTXFONJERFB-UZLBHIALSA-N 2 2 390.484 0.630 20 0 GCADLP COC[C@]1(C(=O)OC)CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451332820 1196988979 /nfs/dbraw/zinc/98/89/79/1196988979.db2.gz IRDQTXFONJERFB-UZLBHIALSA-N 2 2 390.484 0.630 20 0 GCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000451753421 1197013073 /nfs/dbraw/zinc/01/30/73/1197013073.db2.gz BFEFZVOMZKTNHJ-KFKAGJAMSA-N 2 2 377.485 0.215 20 0 GCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000451753421 1197013076 /nfs/dbraw/zinc/01/30/76/1197013076.db2.gz BFEFZVOMZKTNHJ-KFKAGJAMSA-N 2 2 377.485 0.215 20 0 GCADLP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000530806700 1197017483 /nfs/dbraw/zinc/01/74/83/1197017483.db2.gz HUNIGMLWPKLPTN-KRWDZBQOSA-N 2 2 387.528 0.831 20 0 GCADLP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000530806700 1197017486 /nfs/dbraw/zinc/01/74/86/1197017486.db2.gz HUNIGMLWPKLPTN-KRWDZBQOSA-N 2 2 387.528 0.831 20 0 GCADLP COC[C@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000451924157 1197026011 /nfs/dbraw/zinc/02/60/11/1197026011.db2.gz IHTCGJOAOXUVPV-OAQYLSRUSA-N 2 2 375.513 0.970 20 0 GCADLP COC[C@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000451924157 1197026017 /nfs/dbraw/zinc/02/60/17/1197026017.db2.gz IHTCGJOAOXUVPV-OAQYLSRUSA-N 2 2 375.513 0.970 20 0 GCADLP CN(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451985110 1197029568 /nfs/dbraw/zinc/02/95/68/1197029568.db2.gz DQQNKZYRJSQKOR-KRWDZBQOSA-N 2 2 388.516 0.856 20 0 GCADLP CN(C)C(=O)N[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451985110 1197029571 /nfs/dbraw/zinc/02/95/71/1197029571.db2.gz DQQNKZYRJSQKOR-KRWDZBQOSA-N 2 2 388.516 0.856 20 0 GCADLP COC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000452037873 1197034565 /nfs/dbraw/zinc/03/45/65/1197034565.db2.gz LTOFZVUVPUOLGD-OAHLLOKOSA-N 2 2 387.488 0.513 20 0 GCADLP COC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000452037873 1197034568 /nfs/dbraw/zinc/03/45/68/1197034568.db2.gz LTOFZVUVPUOLGD-OAHLLOKOSA-N 2 2 387.488 0.513 20 0 GCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000532193899 1197124851 /nfs/dbraw/zinc/12/48/51/1197124851.db2.gz LTOUPMLSHDNLFG-OAHLLOKOSA-N 2 2 392.529 0.926 20 0 GCADLP O=C1NC[C@@H]2C[NH+](Cc3ccccc3C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175924882 1197185164 /nfs/dbraw/zinc/18/51/64/1197185164.db2.gz CGFXSYWLOGDFQP-QZTJIDSGSA-N 2 2 384.484 0.105 20 0 GCADLP O=C1NC[C@@H]2C[NH+](Cc3ccccc3C[N@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175924882 1197185166 /nfs/dbraw/zinc/18/51/66/1197185166.db2.gz CGFXSYWLOGDFQP-QZTJIDSGSA-N 2 2 384.484 0.105 20 0 GCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000182413118 1197207165 /nfs/dbraw/zinc/20/71/65/1197207165.db2.gz ATUOFLOQDFCJAG-MSOLQXFVSA-N 2 2 387.532 0.724 20 0 GCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000182413118 1197207167 /nfs/dbraw/zinc/20/71/67/1197207167.db2.gz ATUOFLOQDFCJAG-MSOLQXFVSA-N 2 2 387.532 0.724 20 0 GCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000182413095 1197207191 /nfs/dbraw/zinc/20/71/91/1197207191.db2.gz ATUOFLOQDFCJAG-QZTJIDSGSA-N 2 2 387.532 0.724 20 0 GCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000182413095 1197207194 /nfs/dbraw/zinc/20/71/94/1197207194.db2.gz ATUOFLOQDFCJAG-QZTJIDSGSA-N 2 2 387.532 0.724 20 0 GCADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000192176870 1197245840 /nfs/dbraw/zinc/24/58/40/1197245840.db2.gz QPIMXMQJWPGPES-ROUUACIJSA-N 2 2 381.565 0.765 20 0 GCADLP Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCc3c[nH+]ccc32)cc[nH+]1 ZINC000349444340 1197258570 /nfs/dbraw/zinc/25/85/70/1197258570.db2.gz CRNYZOUSAYWGOR-UHFFFAOYSA-N 2 2 396.494 0.731 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000170844703 1197271953 /nfs/dbraw/zinc/27/19/53/1197271953.db2.gz GIYROHJNCVMERW-LJQANCHMSA-N 2 2 387.528 0.925 20 0 GCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000170844701 1197272045 /nfs/dbraw/zinc/27/20/45/1197272045.db2.gz GIYROHJNCVMERW-IBGZPJMESA-N 2 2 387.528 0.925 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)NCC[N@@H+]3CCOCC3(C)C)ccn2)CC1 ZINC000171099631 1197312042 /nfs/dbraw/zinc/31/20/42/1197312042.db2.gz DYRJAWKKILPUMU-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP C[NH+]1CCN(c2cc(CNC(=O)NCC[N@H+]3CCOCC3(C)C)ccn2)CC1 ZINC000171099631 1197312046 /nfs/dbraw/zinc/31/20/46/1197312046.db2.gz DYRJAWKKILPUMU-UHFFFAOYSA-N 2 2 390.532 0.743 20 0 GCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000106525426 1197327161 /nfs/dbraw/zinc/32/71/61/1197327161.db2.gz LIFDTFRVQWNHJC-UXHICEINSA-N 2 2 394.608 0.680 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106538242 1197327278 /nfs/dbraw/zinc/32/72/78/1197327278.db2.gz VEGZOCBHIBDUQF-KRWDZBQOSA-N 2 2 387.532 0.915 20 0 GCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106538242 1197327280 /nfs/dbraw/zinc/32/72/80/1197327280.db2.gz VEGZOCBHIBDUQF-KRWDZBQOSA-N 2 2 387.532 0.915 20 0 GCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000114456377 1197336616 /nfs/dbraw/zinc/33/66/16/1197336616.db2.gz NQMHSGNHGMTSSJ-SFHVURJKSA-N 2 2 380.533 0.689 20 0 GCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000114456377 1197336618 /nfs/dbraw/zinc/33/66/18/1197336618.db2.gz NQMHSGNHGMTSSJ-SFHVURJKSA-N 2 2 380.533 0.689 20 0 GCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000123859540 1197351842 /nfs/dbraw/zinc/35/18/42/1197351842.db2.gz JOIGPBIRZDWUQB-KRWDZBQOSA-N 2 2 399.495 0.855 20 0 GCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000123859540 1197351844 /nfs/dbraw/zinc/35/18/44/1197351844.db2.gz JOIGPBIRZDWUQB-KRWDZBQOSA-N 2 2 399.495 0.855 20 0 GCADLP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000045755247 1197361945 /nfs/dbraw/zinc/36/19/45/1197361945.db2.gz KRMJRPPVQJHHQT-UHFFFAOYSA-N 2 2 388.516 0.509 20 0 GCADLP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000666691996 1197375396 /nfs/dbraw/zinc/37/53/96/1197375396.db2.gz JNCPWZXEZMIVQF-QGZVFWFLSA-N 2 2 376.457 0.286 20 0 GCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000050799696 1197381117 /nfs/dbraw/zinc/38/11/17/1197381117.db2.gz GYDUTVYBRKNBIX-UHFFFAOYSA-N 2 2 386.562 0.333 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000136966378 1197391306 /nfs/dbraw/zinc/39/13/06/1197391306.db2.gz LWZWMFZTJNWOAQ-KRWDZBQOSA-N 2 2 388.516 0.710 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000136966378 1197391310 /nfs/dbraw/zinc/39/13/10/1197391310.db2.gz LWZWMFZTJNWOAQ-KRWDZBQOSA-N 2 2 388.516 0.710 20 0 GCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000193619972 1197396986 /nfs/dbraw/zinc/39/69/86/1197396986.db2.gz PRJJQPIYFKXEMG-UONOGXRCSA-N 2 2 378.439 0.928 20 0 GCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000193619972 1197396989 /nfs/dbraw/zinc/39/69/89/1197396989.db2.gz PRJJQPIYFKXEMG-UONOGXRCSA-N 2 2 378.439 0.928 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194430933 1197399254 /nfs/dbraw/zinc/39/92/54/1197399254.db2.gz HGAMKBMEHRTZQM-UXHICEINSA-N 2 2 390.528 0.843 20 0 GCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194430933 1197399256 /nfs/dbraw/zinc/39/92/56/1197399256.db2.gz HGAMKBMEHRTZQM-UXHICEINSA-N 2 2 390.528 0.843 20 0 GCADLP NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000194893059 1197400162 /nfs/dbraw/zinc/40/01/62/1197400162.db2.gz CBFGOZSCMHAHLB-QGZVFWFLSA-N 2 2 388.516 0.891 20 0 GCADLP NC(=O)NC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000194893059 1197400165 /nfs/dbraw/zinc/40/01/65/1197400165.db2.gz CBFGOZSCMHAHLB-QGZVFWFLSA-N 2 2 388.516 0.891 20 0 GCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000532794471 1197412966 /nfs/dbraw/zinc/41/29/66/1197412966.db2.gz NMADWSMMZKYYGY-QGZVFWFLSA-N 2 2 388.516 0.902 20 0 GCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000245877997 1197436031 /nfs/dbraw/zinc/43/60/31/1197436031.db2.gz ATUOFLOQDFCJAG-ROUUACIJSA-N 2 2 387.532 0.724 20 0 GCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000245877997 1197436032 /nfs/dbraw/zinc/43/60/32/1197436032.db2.gz ATUOFLOQDFCJAG-ROUUACIJSA-N 2 2 387.532 0.724 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)CC1 ZINC000245899196 1197437494 /nfs/dbraw/zinc/43/74/94/1197437494.db2.gz FNBJAQUEJGXRNX-UXHICEINSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)CC1 ZINC000245899196 1197437498 /nfs/dbraw/zinc/43/74/98/1197437498.db2.gz FNBJAQUEJGXRNX-UXHICEINSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[NH+](CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000245899196 1197437499 /nfs/dbraw/zinc/43/74/99/1197437499.db2.gz FNBJAQUEJGXRNX-UXHICEINSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@@H]2CC[NH+](CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000245899196 1197437501 /nfs/dbraw/zinc/43/75/01/1197437501.db2.gz FNBJAQUEJGXRNX-UXHICEINSA-N 3 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@@H]2CCN(CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000245899196 1197437503 /nfs/dbraw/zinc/43/75/03/1197437503.db2.gz FNBJAQUEJGXRNX-UXHICEINSA-N 2 2 395.592 0.171 20 0 GCADLP CC[NH+]1CCN([C@@H]2CCN(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000245899196 1197437504 /nfs/dbraw/zinc/43/75/04/1197437504.db2.gz FNBJAQUEJGXRNX-UXHICEINSA-N 2 2 395.592 0.171 20 0 GCADLP C[C@@H](CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[NH+](C)C ZINC000455446998 1197462535 /nfs/dbraw/zinc/46/25/35/1197462535.db2.gz YBPXUPNOFSUPHA-JKSUJKDBSA-N 2 2 391.520 0.531 20 0 GCADLP C[C@@H](CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[NH+](C)C ZINC000455446998 1197462539 /nfs/dbraw/zinc/46/25/39/1197462539.db2.gz YBPXUPNOFSUPHA-JKSUJKDBSA-N 2 2 391.520 0.531 20 0 GCADLP C[C@@H](CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[NH+](C)C ZINC000455446997 1197462571 /nfs/dbraw/zinc/46/25/71/1197462571.db2.gz YBPXUPNOFSUPHA-HOTGVXAUSA-N 2 2 391.520 0.531 20 0 GCADLP C[C@@H](CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[NH+](C)C ZINC000455446997 1197462572 /nfs/dbraw/zinc/46/25/72/1197462572.db2.gz YBPXUPNOFSUPHA-HOTGVXAUSA-N 2 2 391.520 0.531 20 0 GCADLP CN(C)S(=O)(=O)c1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)co1 ZINC000533677387 1197466328 /nfs/dbraw/zinc/46/63/28/1197466328.db2.gz MCPXXNAIOGUQGX-UHFFFAOYSA-N 2 2 393.469 0.929 20 0 GCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000069229401 1197468418 /nfs/dbraw/zinc/46/84/18/1197468418.db2.gz OVCPAVQXUVZSON-OALUTQOASA-N 2 2 388.512 0.586 20 0 GCADLP C[C@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000074655934 1197472308 /nfs/dbraw/zinc/47/23/08/1197472308.db2.gz GDFGAWLUJASSIE-GOSISDBHSA-N 2 2 381.565 0.624 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246588328 1197472418 /nfs/dbraw/zinc/47/24/18/1197472418.db2.gz IUIGXCNSSUHEOU-VQTJNVASSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246588328 1197472425 /nfs/dbraw/zinc/47/24/25/1197472425.db2.gz IUIGXCNSSUHEOU-VQTJNVASSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000246588328 1197472429 /nfs/dbraw/zinc/47/24/29/1197472429.db2.gz IUIGXCNSSUHEOU-VQTJNVASSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000246588328 1197472431 /nfs/dbraw/zinc/47/24/31/1197472431.db2.gz IUIGXCNSSUHEOU-VQTJNVASSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000246588328 1197472433 /nfs/dbraw/zinc/47/24/33/1197472433.db2.gz IUIGXCNSSUHEOU-VQTJNVASSA-N 2 2 396.576 0.504 20 0 GCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000246588328 1197472435 /nfs/dbraw/zinc/47/24/35/1197472435.db2.gz IUIGXCNSSUHEOU-VQTJNVASSA-N 2 2 396.576 0.504 20 0 GCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000246566565 1197472842 /nfs/dbraw/zinc/47/28/42/1197472842.db2.gz BNIBGCBKOTYFFJ-ZWKOTPCHSA-N 2 2 387.532 0.724 20 0 GCADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000246566565 1197472844 /nfs/dbraw/zinc/47/28/44/1197472844.db2.gz BNIBGCBKOTYFFJ-ZWKOTPCHSA-N 2 2 387.532 0.724 20 0 GCADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)S(C)(=O)=O ZINC000246576946 1197472902 /nfs/dbraw/zinc/47/29/02/1197472902.db2.gz LRRSKWCPDZRJDE-WBVHZDCISA-N 2 2 386.562 0.333 20 0 GCADLP CN(CCCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)S(C)(=O)=O ZINC000246576946 1197472904 /nfs/dbraw/zinc/47/29/04/1197472904.db2.gz LRRSKWCPDZRJDE-WBVHZDCISA-N 2 2 386.562 0.333 20 0 GCADLP CN(CCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)S(C)(=O)=O ZINC000246576946 1197472905 /nfs/dbraw/zinc/47/29/05/1197472905.db2.gz LRRSKWCPDZRJDE-WBVHZDCISA-N 2 2 386.562 0.333 20 0 GCADLP CN(CCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)S(C)(=O)=O ZINC000246576946 1197472906 /nfs/dbraw/zinc/47/29/06/1197472906.db2.gz LRRSKWCPDZRJDE-WBVHZDCISA-N 2 2 386.562 0.333 20 0 GCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000247320780 1197475694 /nfs/dbraw/zinc/47/56/94/1197475694.db2.gz GIWNEZJBQZLFKJ-IPMKNSEASA-N 2 2 376.501 0.499 20 0 GCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000247320780 1197475697 /nfs/dbraw/zinc/47/56/97/1197475697.db2.gz GIWNEZJBQZLFKJ-IPMKNSEASA-N 2 2 376.501 0.499 20 0 GCADLP C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000247320780 1197475700 /nfs/dbraw/zinc/47/57/00/1197475700.db2.gz GIWNEZJBQZLFKJ-IPMKNSEASA-N 2 2 376.501 0.499 20 0 GCADLP C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000247320780 1197475702 /nfs/dbraw/zinc/47/57/02/1197475702.db2.gz GIWNEZJBQZLFKJ-IPMKNSEASA-N 2 2 376.501 0.499 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC000988757795 1197505431 /nfs/dbraw/zinc/50/54/31/1197505431.db2.gz YRNXZSSZZFBTBJ-WCXIOVBPSA-N 2 2 391.516 0.831 20 0 GCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC000988757795 1197505434 /nfs/dbraw/zinc/50/54/34/1197505434.db2.gz YRNXZSSZZFBTBJ-WCXIOVBPSA-N 2 2 391.516 0.831 20 0 GCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000261688940 1197511651 /nfs/dbraw/zinc/51/16/51/1197511651.db2.gz DVKKVDVIQCSEAQ-QGZVFWFLSA-N 2 2 388.541 0.772 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261767929 1197514313 /nfs/dbraw/zinc/51/43/13/1197514313.db2.gz GJFKVCWXCMSTNQ-OKZBNKHCSA-N 3 2 379.549 0.119 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261767929 1197514315 /nfs/dbraw/zinc/51/43/15/1197514315.db2.gz GJFKVCWXCMSTNQ-OKZBNKHCSA-N 3 2 379.549 0.119 20 0 GCADLP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000261896051 1197517964 /nfs/dbraw/zinc/51/79/64/1197517964.db2.gz RCBMDVQTMHWYRO-DOTOQJQBSA-N 2 2 399.495 0.552 20 0 GCADLP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000261896051 1197517967 /nfs/dbraw/zinc/51/79/67/1197517967.db2.gz RCBMDVQTMHWYRO-DOTOQJQBSA-N 2 2 399.495 0.552 20 0 GCADLP C[NH+](C)CCC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000056893765 1199033468 /nfs/dbraw/zinc/03/34/68/1199033468.db2.gz SHFLUCODXVUYHM-UHFFFAOYSA-N 2 2 389.548 0.972 20 0 GCADLP c1nc2n(c1C[NH2+][C@@H]1CCCN(c3cc(N4CCOCC4)[nH+]cn3)C1)CCOC2 ZINC000921734431 1199074222 /nfs/dbraw/zinc/07/42/22/1199074222.db2.gz GOGZEGXJURDWRF-MRXNPFEDSA-N 2 2 399.499 0.799 20 0 GCADLP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000265731871 1199081524 /nfs/dbraw/zinc/08/15/24/1199081524.db2.gz SHHNFEUDBWDWBO-OALUTQOASA-N 2 2 376.501 0.907 20 0 GCADLP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000265731871 1199081531 /nfs/dbraw/zinc/08/15/31/1199081531.db2.gz SHHNFEUDBWDWBO-OALUTQOASA-N 2 2 376.501 0.907 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000265731871 1199081536 /nfs/dbraw/zinc/08/15/36/1199081536.db2.gz SHHNFEUDBWDWBO-OALUTQOASA-N 2 2 376.501 0.907 20 0 GCADLP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000265731871 1199081539 /nfs/dbraw/zinc/08/15/39/1199081539.db2.gz SHHNFEUDBWDWBO-OALUTQOASA-N 2 2 376.501 0.907 20 0 GCADLP CN(C(=O)C(=O)NCCCc1cnn(C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672188049 1199155933 /nfs/dbraw/zinc/15/59/33/1199155933.db2.gz WXRWKGODUIRQES-GOSISDBHSA-N 2 2 390.532 0.096 20 0 GCADLP CN(C(=O)C(=O)NCCCc1cnn(C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672188049 1199155935 /nfs/dbraw/zinc/15/59/35/1199155935.db2.gz WXRWKGODUIRQES-GOSISDBHSA-N 2 2 390.532 0.096 20 0 GCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672204399 1199159651 /nfs/dbraw/zinc/15/96/51/1199159651.db2.gz UIGRAGUVMFGMPP-FUHWJXTLSA-N 3 2 379.549 0.262 20 0 GCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672204399 1199159653 /nfs/dbraw/zinc/15/96/53/1199159653.db2.gz UIGRAGUVMFGMPP-FUHWJXTLSA-N 3 2 379.549 0.262 20 0 GCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672204399 1199159657 /nfs/dbraw/zinc/15/96/57/1199159657.db2.gz UIGRAGUVMFGMPP-FUHWJXTLSA-N 3 2 379.549 0.262 20 0 GCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672204399 1199159659 /nfs/dbraw/zinc/15/96/59/1199159659.db2.gz UIGRAGUVMFGMPP-FUHWJXTLSA-N 3 2 379.549 0.262 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C1CC1 ZINC000672206935 1199160330 /nfs/dbraw/zinc/16/03/30/1199160330.db2.gz AXCOYTODSOXOQE-MAUKXSAKSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C1CC1 ZINC000672206935 1199160333 /nfs/dbraw/zinc/16/03/33/1199160333.db2.gz AXCOYTODSOXOQE-MAUKXSAKSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206935 1199160339 /nfs/dbraw/zinc/16/03/39/1199160339.db2.gz AXCOYTODSOXOQE-MAUKXSAKSA-N 3 2 379.549 0.212 20 0 GCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206935 1199160341 /nfs/dbraw/zinc/16/03/41/1199160341.db2.gz AXCOYTODSOXOQE-MAUKXSAKSA-N 3 2 379.549 0.212 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000172726338 1199166743 /nfs/dbraw/zinc/16/67/43/1199166743.db2.gz BBLGYWZRVACYJM-MOPGFXCFSA-N 2 2 387.528 0.773 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000172726338 1199166744 /nfs/dbraw/zinc/16/67/44/1199166744.db2.gz BBLGYWZRVACYJM-MOPGFXCFSA-N 2 2 387.528 0.773 20 0 GCADLP C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000656367259 1199194487 /nfs/dbraw/zinc/19/44/87/1199194487.db2.gz MPYYSUKSDAHBHZ-QFBILLFUSA-N 2 2 386.500 0.881 20 0 GCADLP Cc1noc(C)c1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672448878 1199236604 /nfs/dbraw/zinc/23/66/04/1199236604.db2.gz AAXINCVKTNKAKT-HNNXBMFYSA-N 2 2 377.489 0.235 20 0 GCADLP Cc1noc(C)c1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672448878 1199236607 /nfs/dbraw/zinc/23/66/07/1199236607.db2.gz AAXINCVKTNKAKT-HNNXBMFYSA-N 2 2 377.489 0.235 20 0 GCADLP Cc1noc(C)c1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672448545 1199236815 /nfs/dbraw/zinc/23/68/15/1199236815.db2.gz WCPVYTKXEPMPMA-KRWDZBQOSA-N 2 2 391.516 0.577 20 0 GCADLP Cc1noc(C)c1CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672448545 1199236821 /nfs/dbraw/zinc/23/68/21/1199236821.db2.gz WCPVYTKXEPMPMA-KRWDZBQOSA-N 2 2 391.516 0.577 20 0 GCADLP CC(C)n1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672600291 1199280526 /nfs/dbraw/zinc/28/05/26/1199280526.db2.gz JUUUVMRXQSSOOX-SFHVURJKSA-N 2 2 390.532 0.707 20 0 GCADLP CC(C)n1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672600291 1199280527 /nfs/dbraw/zinc/28/05/27/1199280527.db2.gz JUUUVMRXQSSOOX-SFHVURJKSA-N 2 2 390.532 0.707 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672637524 1199287518 /nfs/dbraw/zinc/28/75/18/1199287518.db2.gz IYYOAFLQEUTMAT-WBVHZDCISA-N 2 2 382.574 0.871 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672637524 1199287521 /nfs/dbraw/zinc/28/75/21/1199287521.db2.gz IYYOAFLQEUTMAT-WBVHZDCISA-N 2 2 382.574 0.871 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@]3(C)CCCO)C2)CC1 ZINC000672637515 1199287679 /nfs/dbraw/zinc/28/76/79/1199287679.db2.gz IWQQBQCSKBVFOE-JXFKEZNVSA-N 2 2 380.533 0.425 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@]3(C)CCCO)C2)CC1 ZINC000672637515 1199287684 /nfs/dbraw/zinc/28/76/84/1199287684.db2.gz IWQQBQCSKBVFOE-JXFKEZNVSA-N 2 2 380.533 0.425 20 0 GCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638513 1199288704 /nfs/dbraw/zinc/28/87/04/1199288704.db2.gz RSZYUZFWXQIQSV-ZWKOTPCHSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638513 1199288708 /nfs/dbraw/zinc/28/87/08/1199288708.db2.gz RSZYUZFWXQIQSV-ZWKOTPCHSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638513 1199288710 /nfs/dbraw/zinc/28/87/10/1199288710.db2.gz RSZYUZFWXQIQSV-ZWKOTPCHSA-N 3 2 393.576 0.365 20 0 GCADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638513 1199288714 /nfs/dbraw/zinc/28/87/14/1199288714.db2.gz RSZYUZFWXQIQSV-ZWKOTPCHSA-N 3 2 393.576 0.365 20 0 GCADLP COc1ccccc1CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637195 1199288927 /nfs/dbraw/zinc/28/89/27/1199288927.db2.gz BBGQUFNRZKWGOX-KRWDZBQOSA-N 2 2 388.512 0.938 20 0 GCADLP COc1ccccc1CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637195 1199288931 /nfs/dbraw/zinc/28/89/31/1199288931.db2.gz BBGQUFNRZKWGOX-KRWDZBQOSA-N 2 2 388.512 0.938 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCCC4)C3)C2)CC1 ZINC000672637656 1199289195 /nfs/dbraw/zinc/28/91/95/1199289195.db2.gz LTKWNHFOKONDPD-IAGOWNOFSA-N 2 2 392.544 0.879 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCCC4)C3)C2)CC1 ZINC000672637656 1199289198 /nfs/dbraw/zinc/28/91/98/1199289198.db2.gz LTKWNHFOKONDPD-IAGOWNOFSA-N 2 2 392.544 0.879 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(Cc3ccccn3)C3CC3)C2)CC1 ZINC000672637641 1199289308 /nfs/dbraw/zinc/28/93/08/1199289308.db2.gz LNILCAUBVHDAHT-KRWDZBQOSA-N 2 2 385.512 0.857 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(Cc3ccccn3)C3CC3)C2)CC1 ZINC000672637641 1199289314 /nfs/dbraw/zinc/28/93/14/1199289314.db2.gz LNILCAUBVHDAHT-KRWDZBQOSA-N 2 2 385.512 0.857 20 0 GCADLP CN(CCc1nccs1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637368 1199289910 /nfs/dbraw/zinc/28/99/10/1199289910.db2.gz FWJVWCAQSJBOIJ-CQSZACIVSA-N 2 2 379.530 0.429 20 0 GCADLP CN(CCc1nccs1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637368 1199289918 /nfs/dbraw/zinc/28/99/18/1199289918.db2.gz FWJVWCAQSJBOIJ-CQSZACIVSA-N 2 2 379.530 0.429 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ncsc4C3)C2)CC1 ZINC000672638099 1199290318 /nfs/dbraw/zinc/29/03/18/1199290318.db2.gz JLFGPMDCHDGSMN-ZDUSSCGKSA-N 2 2 377.514 0.313 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ncsc4C3)C2)CC1 ZINC000672638099 1199290324 /nfs/dbraw/zinc/29/03/24/1199290324.db2.gz JLFGPMDCHDGSMN-ZDUSSCGKSA-N 2 2 377.514 0.313 20 0 GCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638228 1199290565 /nfs/dbraw/zinc/29/05/65/1199290565.db2.gz RBDGFKPQBPTDSG-QZTJIDSGSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672638228 1199290568 /nfs/dbraw/zinc/29/05/68/1199290568.db2.gz RBDGFKPQBPTDSG-QZTJIDSGSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638228 1199290579 /nfs/dbraw/zinc/29/05/79/1199290579.db2.gz RBDGFKPQBPTDSG-QZTJIDSGSA-N 3 2 393.576 0.652 20 0 GCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638228 1199290583 /nfs/dbraw/zinc/29/05/83/1199290583.db2.gz RBDGFKPQBPTDSG-QZTJIDSGSA-N 3 2 393.576 0.652 20 0 GCADLP COCC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672637995 1199291184 /nfs/dbraw/zinc/29/11/84/1199291184.db2.gz CEFHARZCFMOERT-NVXWUHKLSA-N 2 2 392.500 0.758 20 0 GCADLP COCC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672637995 1199291187 /nfs/dbraw/zinc/29/11/87/1199291187.db2.gz CEFHARZCFMOERT-NVXWUHKLSA-N 2 2 392.500 0.758 20 0 GCADLP C[C@H](CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672637749 1199291484 /nfs/dbraw/zinc/29/14/84/1199291484.db2.gz OBNFIPRCZLOVDU-CABCVRRESA-N 2 2 393.557 0.990 20 0 GCADLP C[C@H](CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccs1 ZINC000672637749 1199291490 /nfs/dbraw/zinc/29/14/90/1199291490.db2.gz OBNFIPRCZLOVDU-CABCVRRESA-N 2 2 393.557 0.990 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccco3)C2)CC1 ZINC000672637893 1199292194 /nfs/dbraw/zinc/29/21/94/1199292194.db2.gz AGXIGRUOPKHDPA-WBVHZDCISA-N 2 2 390.484 0.464 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccco3)C2)CC1 ZINC000672637893 1199292197 /nfs/dbraw/zinc/29/21/97/1199292197.db2.gz AGXIGRUOPKHDPA-WBVHZDCISA-N 2 2 390.484 0.464 20 0 GCADLP Cc1cnc([C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640297 1199293006 /nfs/dbraw/zinc/29/30/06/1199293006.db2.gz YZIWHRAGCMHADI-UKRRQHHQSA-N 2 2 393.557 0.956 20 0 GCADLP Cc1cnc([C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672640297 1199293009 /nfs/dbraw/zinc/29/30/09/1199293009.db2.gz YZIWHRAGCMHADI-UKRRQHHQSA-N 2 2 393.557 0.956 20 0 GCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640473 1199294081 /nfs/dbraw/zinc/29/40/81/1199294081.db2.gz JHTSYPCHRHCLDP-GOSISDBHSA-N 3 2 395.592 0.852 20 0 GCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640473 1199294085 /nfs/dbraw/zinc/29/40/85/1199294085.db2.gz JHTSYPCHRHCLDP-GOSISDBHSA-N 3 2 395.592 0.852 20 0 GCADLP COCCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639912 1199295477 /nfs/dbraw/zinc/29/54/77/1199295477.db2.gz UBTRSFATDWIRPP-INIZCTEOSA-N 2 2 392.500 0.539 20 0 GCADLP COCCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639912 1199295483 /nfs/dbraw/zinc/29/54/83/1199295483.db2.gz UBTRSFATDWIRPP-INIZCTEOSA-N 2 2 392.500 0.539 20 0 GCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640206 1199296636 /nfs/dbraw/zinc/29/66/36/1199296636.db2.gz XHBDRGUPXDJMGT-QZTJIDSGSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640206 1199296638 /nfs/dbraw/zinc/29/66/38/1199296638.db2.gz XHBDRGUPXDJMGT-QZTJIDSGSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640206 1199296640 /nfs/dbraw/zinc/29/66/40/1199296640.db2.gz XHBDRGUPXDJMGT-QZTJIDSGSA-N 3 2 393.576 0.461 20 0 GCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640206 1199296641 /nfs/dbraw/zinc/29/66/41/1199296641.db2.gz XHBDRGUPXDJMGT-QZTJIDSGSA-N 3 2 393.576 0.461 20 0 GCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640633 1199297473 /nfs/dbraw/zinc/29/74/73/1199297473.db2.gz DYUADZDRMYOXQB-SJLPKXTDSA-N 3 2 393.576 0.460 20 0 GCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640633 1199297477 /nfs/dbraw/zinc/29/74/77/1199297477.db2.gz DYUADZDRMYOXQB-SJLPKXTDSA-N 3 2 393.576 0.460 20 0 GCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640874 1199297573 /nfs/dbraw/zinc/29/75/73/1199297573.db2.gz LEGIXUHPOGVFIV-KRWDZBQOSA-N 2 2 390.532 0.325 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672640937 1199298439 /nfs/dbraw/zinc/29/84/39/1199298439.db2.gz MJNNHDCJNBYYAM-FUHWJXTLSA-N 2 2 380.533 0.593 20 0 GCADLP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672640937 1199298441 /nfs/dbraw/zinc/29/84/41/1199298441.db2.gz MJNNHDCJNBYYAM-FUHWJXTLSA-N 2 2 380.533 0.593 20 0 GCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640978 1199298466 /nfs/dbraw/zinc/29/84/66/1199298466.db2.gz HXJLNVHYIGFGFA-WMZOPIPTSA-N 3 2 395.592 0.754 20 0 GCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640978 1199298468 /nfs/dbraw/zinc/29/84/68/1199298468.db2.gz HXJLNVHYIGFGFA-WMZOPIPTSA-N 3 2 395.592 0.754 20 0 GCADLP C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641371 1199299232 /nfs/dbraw/zinc/29/92/32/1199299232.db2.gz PQBICWVFZZVSGX-LZLYRXPVSA-N 2 2 380.533 0.423 20 0 GCADLP C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641371 1199299236 /nfs/dbraw/zinc/29/92/36/1199299236.db2.gz PQBICWVFZZVSGX-LZLYRXPVSA-N 2 2 380.533 0.423 20 0 GCADLP C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642455 1199300652 /nfs/dbraw/zinc/30/06/52/1199300652.db2.gz BBRREEZXWCVDHE-GJZGRUSLSA-N 2 2 395.548 0.033 20 0 GCADLP C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642455 1199300653 /nfs/dbraw/zinc/30/06/53/1199300653.db2.gz BBRREEZXWCVDHE-GJZGRUSLSA-N 2 2 395.548 0.033 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C2CC2)O1 ZINC000672642126 1199301343 /nfs/dbraw/zinc/30/13/43/1199301343.db2.gz YKIQHZVKFVOZPT-QGPMSJSTSA-N 2 2 378.517 0.297 20 0 GCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C2CC2)O1 ZINC000672642126 1199301348 /nfs/dbraw/zinc/30/13/48/1199301348.db2.gz YKIQHZVKFVOZPT-QGPMSJSTSA-N 2 2 378.517 0.297 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672641858 1199304164 /nfs/dbraw/zinc/30/41/64/1199304164.db2.gz YLWKPCNGBDKDNJ-WMZOPIPTSA-N 2 2 379.549 0.070 20 0 GCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672641858 1199304174 /nfs/dbraw/zinc/30/41/74/1199304174.db2.gz YLWKPCNGBDKDNJ-WMZOPIPTSA-N 2 2 379.549 0.070 20 0 GCADLP COC[C@H]1CCCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642693 1199305973 /nfs/dbraw/zinc/30/59/73/1199305973.db2.gz DRWDSRGSNBLJJI-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP COC[C@H]1CCCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642693 1199305979 /nfs/dbraw/zinc/30/59/79/1199305979.db2.gz DRWDSRGSNBLJJI-DLBZAZTESA-N 2 2 380.533 0.546 20 0 GCADLP CC1(C)CN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1CCO ZINC000672728294 1199322919 /nfs/dbraw/zinc/32/29/19/1199322919.db2.gz TTYIEPLPRPBSEP-UHFFFAOYSA-N 2 2 389.544 0.907 20 0 GCADLP CC1(C)CN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1CCO ZINC000672728294 1199322925 /nfs/dbraw/zinc/32/29/25/1199322925.db2.gz TTYIEPLPRPBSEP-UHFFFAOYSA-N 2 2 389.544 0.907 20 0 GCADLP COC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672850756 1199351422 /nfs/dbraw/zinc/35/14/22/1199351422.db2.gz RSLFIAKYDYGVBS-IRXDYDNUSA-N 2 2 392.500 0.710 20 0 GCADLP COC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000672850756 1199351430 /nfs/dbraw/zinc/35/14/30/1199351430.db2.gz RSLFIAKYDYGVBS-IRXDYDNUSA-N 2 2 392.500 0.710 20 0 GCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000499639223 1199388312 /nfs/dbraw/zinc/38/83/12/1199388312.db2.gz CTMREGHIMOFUKM-FUHWJXTLSA-N 2 2 398.511 0.435 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000129880052 1199402346 /nfs/dbraw/zinc/40/23/46/1199402346.db2.gz PVNPXPYIPAIQOO-UONOGXRCSA-N 2 2 384.488 0.820 20 0 GCADLP C[C@H]1C[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@H+]1C1CC1 ZINC000129880052 1199402349 /nfs/dbraw/zinc/40/23/49/1199402349.db2.gz PVNPXPYIPAIQOO-UONOGXRCSA-N 2 2 384.488 0.820 20 0 GCADLP C[C@H]1C[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000129879635 1199402560 /nfs/dbraw/zinc/40/25/60/1199402560.db2.gz PVNPXPYIPAIQOO-KBPBESRZSA-N 2 2 384.488 0.820 20 0 GCADLP C[C@H]1C[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@H+]1C1CC1 ZINC000129879635 1199402563 /nfs/dbraw/zinc/40/25/63/1199402563.db2.gz PVNPXPYIPAIQOO-KBPBESRZSA-N 2 2 384.488 0.820 20 0 GCADLP CCCC[C@@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673068423 1199409786 /nfs/dbraw/zinc/40/97/86/1199409786.db2.gz XBPZYBDKPPFTQQ-WMZOPIPTSA-N 2 2 382.549 0.935 20 0 GCADLP CCCC[C@@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673068423 1199409790 /nfs/dbraw/zinc/40/97/90/1199409790.db2.gz XBPZYBDKPPFTQQ-WMZOPIPTSA-N 2 2 382.549 0.935 20 0 GCADLP C[C@@H](Cc1ccncc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673104569 1199422644 /nfs/dbraw/zinc/42/26/44/1199422644.db2.gz OSCVROYSNIWSHV-LPHOPBHVSA-N 2 2 387.528 0.756 20 0 GCADLP C[C@@H](Cc1ccncc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673104569 1199422647 /nfs/dbraw/zinc/42/26/47/1199422647.db2.gz OSCVROYSNIWSHV-LPHOPBHVSA-N 2 2 387.528 0.756 20 0 GCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2C)C1 ZINC001003193445 1199449907 /nfs/dbraw/zinc/44/99/07/1199449907.db2.gz KUJVRMVOSYJYDV-WCXIOVBPSA-N 2 2 375.473 0.160 20 0 GCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2C)C1 ZINC001003193445 1199449911 /nfs/dbraw/zinc/44/99/11/1199449911.db2.gz KUJVRMVOSYJYDV-WCXIOVBPSA-N 2 2 375.473 0.160 20 0 GCADLP CC(C)OCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673150994 1199453996 /nfs/dbraw/zinc/45/39/96/1199453996.db2.gz AGEGIFIGGHMXGP-GOSISDBHSA-N 2 2 382.549 0.935 20 0 GCADLP CC(C)OCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673150994 1199454001 /nfs/dbraw/zinc/45/40/01/1199454001.db2.gz AGEGIFIGGHMXGP-GOSISDBHSA-N 2 2 382.549 0.935 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673176984 1199463945 /nfs/dbraw/zinc/46/39/45/1199463945.db2.gz QBAAJPZJWNUEMW-QAPCUYQASA-N 2 2 380.533 0.545 20 0 GCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000673176984 1199463949 /nfs/dbraw/zinc/46/39/49/1199463949.db2.gz QBAAJPZJWNUEMW-QAPCUYQASA-N 2 2 380.533 0.545 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000673275925 1199511728 /nfs/dbraw/zinc/51/17/28/1199511728.db2.gz BGNAXTVOXVRCDF-SFHVURJKSA-N 2 2 382.549 0.794 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000673275925 1199511736 /nfs/dbraw/zinc/51/17/36/1199511736.db2.gz BGNAXTVOXVRCDF-SFHVURJKSA-N 2 2 382.549 0.794 20 0 GCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000673281460 1199514289 /nfs/dbraw/zinc/51/42/89/1199514289.db2.gz BJRZCCOFEUZFLG-UYAOXDASSA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000673281460 1199514294 /nfs/dbraw/zinc/51/42/94/1199514294.db2.gz BJRZCCOFEUZFLG-UYAOXDASSA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)C1 ZINC000673281460 1199514298 /nfs/dbraw/zinc/51/42/98/1199514298.db2.gz BJRZCCOFEUZFLG-UYAOXDASSA-N 2 2 399.539 0.528 20 0 GCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)C1 ZINC000673281460 1199514302 /nfs/dbraw/zinc/51/43/02/1199514302.db2.gz BJRZCCOFEUZFLG-UYAOXDASSA-N 2 2 399.539 0.528 20 0 GCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCO1 ZINC000673301674 1199527920 /nfs/dbraw/zinc/52/79/20/1199527920.db2.gz GSZZXSSWEJCUHX-IRXDYDNUSA-N 2 2 389.500 0.394 20 0 GCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCO1 ZINC000673301674 1199527925 /nfs/dbraw/zinc/52/79/25/1199527925.db2.gz GSZZXSSWEJCUHX-IRXDYDNUSA-N 2 2 389.500 0.394 20 0 GCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000079984938 1199560965 /nfs/dbraw/zinc/56/09/65/1199560965.db2.gz CAYAJBHXVUJCHP-QGZVFWFLSA-N 2 2 375.521 0.772 20 0 GCADLP C[C@@H]1C[C@H](CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673434497 1199644527 /nfs/dbraw/zinc/64/45/27/1199644527.db2.gz NRFMZNFNXOPZQB-ZHALLVOQSA-N 2 2 394.560 0.935 20 0 GCADLP C[C@@H]1C[C@H](CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673434497 1199644529 /nfs/dbraw/zinc/64/45/29/1199644529.db2.gz NRFMZNFNXOPZQB-ZHALLVOQSA-N 2 2 394.560 0.935 20 0 GCADLP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673469360 1199685605 /nfs/dbraw/zinc/68/56/05/1199685605.db2.gz GUFOWMNYVHZVJX-WDSOQIARSA-N 2 2 394.560 0.933 20 0 GCADLP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000673469360 1199685610 /nfs/dbraw/zinc/68/56/10/1199685610.db2.gz GUFOWMNYVHZVJX-WDSOQIARSA-N 2 2 394.560 0.933 20 0 GCADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657745904 1199724988 /nfs/dbraw/zinc/72/49/88/1199724988.db2.gz TWEPPNBXUCUDEI-LJQANCHMSA-N 2 2 394.560 0.888 20 0 GCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657745904 1199724992 /nfs/dbraw/zinc/72/49/92/1199724992.db2.gz TWEPPNBXUCUDEI-LJQANCHMSA-N 2 2 394.560 0.888 20 0 GCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000673531639 1199735148 /nfs/dbraw/zinc/73/51/48/1199735148.db2.gz ORXDVJJTCOBSQS-KRWDZBQOSA-N 2 2 389.500 0.083 20 0 GCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673585044 1199828537 /nfs/dbraw/zinc/82/85/37/1199828537.db2.gz PSQDMKJKSYGFPL-KSZLIROESA-N 2 2 389.500 0.541 20 0 GCADLP C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC001004285476 1199848863 /nfs/dbraw/zinc/84/88/63/1199848863.db2.gz NTQUZDMOMXXJIE-NCOADZHNSA-N 2 2 376.501 0.194 20 0 GCADLP C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC001004285476 1199848870 /nfs/dbraw/zinc/84/88/70/1199848870.db2.gz NTQUZDMOMXXJIE-NCOADZHNSA-N 2 2 376.501 0.194 20 0 GCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC001004416820 1199880524 /nfs/dbraw/zinc/88/05/24/1199880524.db2.gz KDULYRFWXVFOBU-QBIMZIAESA-N 2 2 382.468 0.986 20 0 GCADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000673668882 1199925940 /nfs/dbraw/zinc/92/59/40/1199925940.db2.gz BTRSHXFDHAFUQM-KRWDZBQOSA-N 2 2 394.541 0.883 20 0 GCADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000673668882 1199925942 /nfs/dbraw/zinc/92/59/42/1199925942.db2.gz BTRSHXFDHAFUQM-KRWDZBQOSA-N 2 2 394.541 0.883 20 0 GCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000673872560 1199963451 /nfs/dbraw/zinc/96/34/51/1199963451.db2.gz FOCDYTUHXNEWSX-CQSZACIVSA-N 2 2 376.505 0.605 20 0 GCADLP COc1ccc([C@@H](CNC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)[NH+]2CCCCC2)cc1 ZINC000625711987 1200159564 /nfs/dbraw/zinc/15/95/64/1200159564.db2.gz AIWROIRHBJBJCL-QYZOEREBSA-N 2 2 377.485 0.376 20 0 GCADLP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000946818226 1200172526 /nfs/dbraw/zinc/17/25/26/1200172526.db2.gz BBXGAVCEARQXDU-KCYZZUKISA-N 2 2 389.500 0.350 20 0 GCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)C1 ZINC001005336900 1200254694 /nfs/dbraw/zinc/25/46/94/1200254694.db2.gz DGRRQFBPKSCIGM-NCOADZHNSA-N 2 2 375.473 0.240 20 0 GCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)C1 ZINC001005336900 1200254705 /nfs/dbraw/zinc/25/47/05/1200254705.db2.gz DGRRQFBPKSCIGM-NCOADZHNSA-N 2 2 375.473 0.240 20 0 GCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000675088112 1200350320 /nfs/dbraw/zinc/35/03/20/1200350320.db2.gz CTVZBLWEFQNOGJ-UHFFFAOYSA-N 2 2 398.548 0.173 20 0 GCADLP COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000675102230 1200352382 /nfs/dbraw/zinc/35/23/82/1200352382.db2.gz SHRPFJQWEDSIJZ-CABCVRRESA-N 2 2 391.520 0.207 20 0 GCADLP COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000675102230 1200352391 /nfs/dbraw/zinc/35/23/91/1200352391.db2.gz SHRPFJQWEDSIJZ-CABCVRRESA-N 2 2 391.520 0.207 20 0 GCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000675709784 1200454579 /nfs/dbraw/zinc/45/45/79/1200454579.db2.gz DFAKZSROJQFFOD-QZTJIDSGSA-N 2 2 381.565 0.955 20 0 GCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000675715339 1200454904 /nfs/dbraw/zinc/45/49/04/1200454904.db2.gz ZRZSZIODKCSPPM-XWSJACJDSA-N 2 2 380.533 0.870 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)C2)CC1 ZINC000676147846 1200502730 /nfs/dbraw/zinc/50/27/30/1200502730.db2.gz NPDHOWLYSLEVPZ-IIBYNOLFSA-N 2 2 399.495 0.640 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)C2)CC1 ZINC000676147846 1200502734 /nfs/dbraw/zinc/50/27/34/1200502734.db2.gz NPDHOWLYSLEVPZ-IIBYNOLFSA-N 2 2 399.495 0.640 20 0 GCADLP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000676417949 1200557152 /nfs/dbraw/zinc/55/71/52/1200557152.db2.gz KCYPWMYVPQQQAT-LJQANCHMSA-N 3 2 390.528 0.650 20 0 GCADLP [NH3+]Cc1nc(=O)[nH]n1-c1cc(N2CCC[C@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001168760388 1200565973 /nfs/dbraw/zinc/56/59/73/1200565973.db2.gz JMVFAVJDTUPHFF-LBPRGKRZSA-N 2 2 382.428 0.941 20 0 GCADLP O=C(C[N@H+]1CC[C@H](CO)[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000676567190 1200570891 /nfs/dbraw/zinc/57/08/91/1200570891.db2.gz RFPRXTPPPORFAJ-SJLPKXTDSA-N 2 2 379.526 0.849 20 0 GCADLP O=C(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000676567190 1200570897 /nfs/dbraw/zinc/57/08/97/1200570897.db2.gz RFPRXTPPPORFAJ-SJLPKXTDSA-N 2 2 379.526 0.849 20 0 GCADLP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCO1 ZINC000433504444 1200612203 /nfs/dbraw/zinc/61/22/03/1200612203.db2.gz WRZNNIXBCRISRW-QGZVFWFLSA-N 2 2 394.520 0.838 20 0 GCADLP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCO1 ZINC000433504444 1200612211 /nfs/dbraw/zinc/61/22/11/1200612211.db2.gz WRZNNIXBCRISRW-QGZVFWFLSA-N 2 2 394.520 0.838 20 0 GCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000439987158 1200622259 /nfs/dbraw/zinc/62/22/59/1200622259.db2.gz YPVHHNFFALSAJA-UHFFFAOYSA-N 2 2 393.451 1.421 20 0 GCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376617435 1200629812 /nfs/dbraw/zinc/62/98/12/1200629812.db2.gz VPNVXMUYODKOEH-WBVHZDCISA-N 2 2 376.505 1.477 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000582032368 1200691740 /nfs/dbraw/zinc/69/17/40/1200691740.db2.gz FJDRIBKPGUZRCU-OAHLLOKOSA-N 2 2 375.477 0.880 20 0 GCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000582032368 1200691745 /nfs/dbraw/zinc/69/17/45/1200691745.db2.gz FJDRIBKPGUZRCU-OAHLLOKOSA-N 2 2 375.477 0.880 20 0 GCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000438335881 1200875875 /nfs/dbraw/zinc/87/58/75/1200875875.db2.gz RVIFJSZXEAJMDL-UHFFFAOYSA-N 2 2 376.505 1.307 20 0 GCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000330017645 1200903092 /nfs/dbraw/zinc/90/30/92/1200903092.db2.gz RLWJLYHEUFMBRX-DLBZAZTESA-N 2 2 378.521 1.409 20 0 GCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000330017645 1200903097 /nfs/dbraw/zinc/90/30/97/1200903097.db2.gz RLWJLYHEUFMBRX-DLBZAZTESA-N 2 2 378.521 1.409 20 0 GCADLP c1nc(NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000364863151 1200950840 /nfs/dbraw/zinc/95/08/40/1200950840.db2.gz JOIJMKORSHLSJA-BRSBDYLESA-N 3 2 388.516 1.027 20 0 GCADLP c1nc(NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000364863151 1200950843 /nfs/dbraw/zinc/95/08/43/1200950843.db2.gz JOIJMKORSHLSJA-BRSBDYLESA-N 3 2 388.516 1.027 20 0 GCADLP c1nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[nH+]1 ZINC000364863151 1200950844 /nfs/dbraw/zinc/95/08/44/1200950844.db2.gz JOIJMKORSHLSJA-BRSBDYLESA-N 3 2 388.516 1.027 20 0 GCADLP c1nc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[nH+]1 ZINC000364863151 1200950846 /nfs/dbraw/zinc/95/08/46/1200950846.db2.gz JOIJMKORSHLSJA-BRSBDYLESA-N 3 2 388.516 1.027 20 0 GCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n(C)n1 ZINC001079723953 1201255048 /nfs/dbraw/zinc/25/50/48/1201255048.db2.gz SFOBMZITXVADAS-DTZQCDIJSA-N 2 2 376.505 0.444 20 0 GCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n(C)n1 ZINC001079723953 1201255051 /nfs/dbraw/zinc/25/50/51/1201255051.db2.gz SFOBMZITXVADAS-DTZQCDIJSA-N 2 2 376.505 0.444 20 0 GCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n(C)n1 ZINC001079723953 1201255053 /nfs/dbraw/zinc/25/50/53/1201255053.db2.gz SFOBMZITXVADAS-DTZQCDIJSA-N 2 2 376.505 0.444 20 0 GCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n(C)n1 ZINC001079723953 1201255055 /nfs/dbraw/zinc/25/50/55/1201255055.db2.gz SFOBMZITXVADAS-DTZQCDIJSA-N 2 2 376.505 0.444 20 0 GCADLP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847963 1201306487 /nfs/dbraw/zinc/30/64/87/1201306487.db2.gz CVGLQOWSBDQPBE-BDQAWRDZSA-N 2 2 389.456 0.257 20 0 GCADLP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847963 1201306495 /nfs/dbraw/zinc/30/64/95/1201306495.db2.gz CVGLQOWSBDQPBE-BDQAWRDZSA-N 2 2 389.456 0.257 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081847963 1201306500 /nfs/dbraw/zinc/30/65/00/1201306500.db2.gz CVGLQOWSBDQPBE-BDQAWRDZSA-N 2 2 389.456 0.257 20 0 GCADLP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081847963 1201306508 /nfs/dbraw/zinc/30/65/08/1201306508.db2.gz CVGLQOWSBDQPBE-BDQAWRDZSA-N 2 2 389.456 0.257 20 0 GCADLP CO[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977572 1201314390 /nfs/dbraw/zinc/31/43/90/1201314390.db2.gz JSOZEJAQURKOBW-AKHDSKFASA-N 2 2 381.517 0.648 20 0 GCADLP CO[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977572 1201314397 /nfs/dbraw/zinc/31/43/97/1201314397.db2.gz JSOZEJAQURKOBW-AKHDSKFASA-N 2 2 381.517 0.648 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082590135 1201338299 /nfs/dbraw/zinc/33/82/99/1201338299.db2.gz FECZRCQSEILIDT-AAVRWANBSA-N 2 2 386.447 0.199 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082590135 1201338304 /nfs/dbraw/zinc/33/83/04/1201338304.db2.gz FECZRCQSEILIDT-AAVRWANBSA-N 2 2 386.447 0.199 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082590082 1201339488 /nfs/dbraw/zinc/33/94/88/1201339488.db2.gz BBJORDIXHOPJNQ-RRCSTGOVSA-N 2 2 376.505 0.348 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082590082 1201339491 /nfs/dbraw/zinc/33/94/91/1201339491.db2.gz BBJORDIXHOPJNQ-RRCSTGOVSA-N 2 2 376.505 0.348 20 0 GCADLP CC(C)Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590432 1201340041 /nfs/dbraw/zinc/34/00/41/1201340041.db2.gz WEFRPHXEOWTRFX-QBPKDAKJSA-N 2 2 378.521 0.590 20 0 GCADLP CC(C)Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590432 1201340051 /nfs/dbraw/zinc/34/00/51/1201340051.db2.gz WEFRPHXEOWTRFX-QBPKDAKJSA-N 2 2 378.521 0.590 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082590289 1201340668 /nfs/dbraw/zinc/34/06/68/1201340668.db2.gz NFFLDFJBIUSPKF-DTTOXWODSA-N 2 2 376.505 0.344 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082590289 1201340672 /nfs/dbraw/zinc/34/06/72/1201340672.db2.gz NFFLDFJBIUSPKF-DTTOXWODSA-N 2 2 376.505 0.344 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(-c2ccco2)no1 ZINC001082590502 1201340809 /nfs/dbraw/zinc/34/08/09/1201340809.db2.gz ZOEMGGQJFSRAQC-IXYNUQLISA-N 2 2 389.456 0.985 20 0 GCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(-c2ccco2)no1 ZINC001082590502 1201340814 /nfs/dbraw/zinc/34/08/14/1201340814.db2.gz ZOEMGGQJFSRAQC-IXYNUQLISA-N 2 2 389.456 0.985 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082657325 1201342361 /nfs/dbraw/zinc/34/23/61/1201342361.db2.gz SVRORUIJLCBKJB-MKXGPGLRSA-N 2 2 391.516 0.199 20 0 GCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001082656986 1201343263 /nfs/dbraw/zinc/34/32/63/1201343263.db2.gz FJNSGAXLWMTLMA-OWYHZJEWSA-N 2 2 391.516 0.236 20 0 GCADLP C[C@H]1C[N@H+](CCNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000727941890 1201386622 /nfs/dbraw/zinc/38/66/22/1201386622.db2.gz KXOYHIVEDIYGGN-ICSRJNTNSA-N 2 2 389.544 0.995 20 0 GCADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000727941890 1201386627 /nfs/dbraw/zinc/38/66/27/1201386627.db2.gz KXOYHIVEDIYGGN-ICSRJNTNSA-N 2 2 389.544 0.995 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCn4cc(Cl)cn4)C[C@H]32)O1 ZINC001084447405 1201412485 /nfs/dbraw/zinc/41/24/85/1201412485.db2.gz LZERGWDLYFHWES-MUIFIZLQSA-N 2 2 381.908 0.788 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCn4cc(Cl)cn4)C[C@H]32)O1 ZINC001084447405 1201412488 /nfs/dbraw/zinc/41/24/88/1201412488.db2.gz LZERGWDLYFHWES-MUIFIZLQSA-N 2 2 381.908 0.788 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CCn4cc(Cl)cn4)C[C@H]32)O1 ZINC001084447405 1201412491 /nfs/dbraw/zinc/41/24/91/1201412491.db2.gz LZERGWDLYFHWES-MUIFIZLQSA-N 2 2 381.908 0.788 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCn4cc(Cl)cn4)C[C@H]32)O1 ZINC001084447405 1201412494 /nfs/dbraw/zinc/41/24/94/1201412494.db2.gz LZERGWDLYFHWES-MUIFIZLQSA-N 2 2 381.908 0.788 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccnc(N(C)C)c4)C[C@H]32)O1 ZINC001084446902 1201413510 /nfs/dbraw/zinc/41/35/10/1201413510.db2.gz WDMKBKNPONCRLS-NXWXRZEISA-N 2 2 387.528 0.899 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccnc(N(C)C)c4)C[C@H]32)O1 ZINC001084446902 1201413513 /nfs/dbraw/zinc/41/35/13/1201413513.db2.gz WDMKBKNPONCRLS-NXWXRZEISA-N 2 2 387.528 0.899 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccnc(N(C)C)c4)C[C@H]32)O1 ZINC001084446902 1201413518 /nfs/dbraw/zinc/41/35/18/1201413518.db2.gz WDMKBKNPONCRLS-NXWXRZEISA-N 2 2 387.528 0.899 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccnc(N(C)C)c4)C[C@H]32)O1 ZINC001084446902 1201413521 /nfs/dbraw/zinc/41/35/21/1201413521.db2.gz WDMKBKNPONCRLS-NXWXRZEISA-N 2 2 387.528 0.899 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084673432 1201433520 /nfs/dbraw/zinc/43/35/20/1201433520.db2.gz XRWQSZIOQBOCGH-YWTNHNAXSA-N 2 2 381.480 0.955 20 0 GCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084673432 1201433525 /nfs/dbraw/zinc/43/35/25/1201433525.db2.gz XRWQSZIOQBOCGH-YWTNHNAXSA-N 2 2 381.480 0.955 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4nc(=O)n(C)[nH]4)[C@H]3C2)CC[N@@H+]1C ZINC001084944344 1201502631 /nfs/dbraw/zinc/50/26/31/1201502631.db2.gz IVJUTOTUWDERJR-QXSJWSMHSA-N 2 2 376.505 0.262 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4nc(=O)n(C)[nH]4)[C@H]3C2)CC[N@H+]1C ZINC001084944344 1201502636 /nfs/dbraw/zinc/50/26/36/1201502636.db2.gz IVJUTOTUWDERJR-QXSJWSMHSA-N 2 2 376.505 0.262 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(=O)n(C)[nH]4)[C@H]3C2)CC[NH+]1C ZINC001084944344 1201502640 /nfs/dbraw/zinc/50/26/40/1201502640.db2.gz IVJUTOTUWDERJR-QXSJWSMHSA-N 2 2 376.505 0.262 20 0 GCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(=O)n(C)[nH]4)[C@H]3C2)CC[NH+]1C ZINC001084944344 1201502647 /nfs/dbraw/zinc/50/26/47/1201502647.db2.gz IVJUTOTUWDERJR-QXSJWSMHSA-N 2 2 376.505 0.262 20 0 GCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CCCC4)[C@H]3C2)O1 ZINC001084970223 1201514075 /nfs/dbraw/zinc/51/40/75/1201514075.db2.gz VBDYJZCFBSPKLO-ZAWLATJESA-N 2 2 392.544 0.687 20 0 GCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CCCC4)[C@H]3C2)O1 ZINC001084970223 1201514079 /nfs/dbraw/zinc/51/40/79/1201514079.db2.gz VBDYJZCFBSPKLO-ZAWLATJESA-N 2 2 392.544 0.687 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CCCC4)[C@H]3C2)O1 ZINC001084970223 1201514082 /nfs/dbraw/zinc/51/40/82/1201514082.db2.gz VBDYJZCFBSPKLO-ZAWLATJESA-N 2 2 392.544 0.687 20 0 GCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CCCC4)[C@H]3C2)O1 ZINC001084970223 1201514085 /nfs/dbraw/zinc/51/40/85/1201514085.db2.gz VBDYJZCFBSPKLO-ZAWLATJESA-N 2 2 392.544 0.687 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(NS(C)(=O)=O)c3)C2)CC1 ZINC000732779531 1201559378 /nfs/dbraw/zinc/55/93/78/1201559378.db2.gz VIIARHWVLOUIKF-INIZCTEOSA-N 2 2 380.514 0.956 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(NS(C)(=O)=O)c3)C2)CC1 ZINC000732779531 1201559387 /nfs/dbraw/zinc/55/93/87/1201559387.db2.gz VIIARHWVLOUIKF-INIZCTEOSA-N 2 2 380.514 0.956 20 0 GCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C2=O ZINC000732980712 1201571547 /nfs/dbraw/zinc/57/15/47/1201571547.db2.gz NBJOBZLSFZLZKD-HNNXBMFYSA-N 2 2 393.532 0.834 20 0 GCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C2=O ZINC000732980712 1201571549 /nfs/dbraw/zinc/57/15/49/1201571549.db2.gz NBJOBZLSFZLZKD-HNNXBMFYSA-N 2 2 393.532 0.834 20 0 GCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)CC1 ZINC000282625611 1201617982 /nfs/dbraw/zinc/61/79/82/1201617982.db2.gz ALXHLVVNQSWUPW-UHFFFAOYSA-N 2 2 391.491 0.546 20 0 GCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085242750 1201647518 /nfs/dbraw/zinc/64/75/18/1201647518.db2.gz FMHJNAPBRFKTRW-GFOCRRMGSA-N 2 2 378.521 0.843 20 0 GCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085242750 1201647523 /nfs/dbraw/zinc/64/75/23/1201647523.db2.gz FMHJNAPBRFKTRW-GFOCRRMGSA-N 2 2 378.521 0.843 20 0 GCADLP O=C(NCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1)c1ccccc1F ZINC000738882767 1201738151 /nfs/dbraw/zinc/73/81/51/1201738151.db2.gz UZPJNHYGEFXLNP-KRWDZBQOSA-N 2 2 378.492 0.630 20 0 GCADLP N=C1NC(=O)[C@@H](CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)S1 ZINC000742599724 1201802507 /nfs/dbraw/zinc/80/25/07/1201802507.db2.gz KUQLRXFZUHEEPE-CQSZACIVSA-N 2 2 376.486 0.266 20 0 GCADLP N=C1NC(=O)C(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)S1 ZINC000742599724 1201802508 /nfs/dbraw/zinc/80/25/08/1201802508.db2.gz KUQLRXFZUHEEPE-CQSZACIVSA-N 2 2 376.486 0.266 20 0 GCADLP C[NH+](C)CCCNC(=S)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737465270 1201804680 /nfs/dbraw/zinc/80/46/80/1201804680.db2.gz KRYGONQFGUGQRC-UHFFFAOYSA-N 2 2 393.561 0.261 20 0 GCADLP C[NH+](C)CCCNC(=S)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737465270 1201804685 /nfs/dbraw/zinc/80/46/85/1201804685.db2.gz KRYGONQFGUGQRC-UHFFFAOYSA-N 2 2 393.561 0.261 20 0 GCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000743944609 1201828647 /nfs/dbraw/zinc/82/86/47/1201828647.db2.gz KKCFBMSFCSLUJZ-MRXNPFEDSA-N 2 2 398.467 0.695 20 0 GCADLP [NH3+]CCCCCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000746308260 1201906680 /nfs/dbraw/zinc/90/66/80/1201906680.db2.gz WWACLHYZSAGZHP-UHFFFAOYSA-N 2 2 397.545 0.559 20 0 GCADLP O=C(CN1CC[NH+](CCCCO)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000746484306 1201927057 /nfs/dbraw/zinc/92/70/57/1201927057.db2.gz PKXUCTALGCLPMI-UHFFFAOYSA-N 2 2 396.576 0.528 20 0 GCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001169167546 1201934678 /nfs/dbraw/zinc/93/46/78/1201934678.db2.gz JBDOYMXIMCLIJM-LSDHHAIUSA-N 2 2 376.505 0.676 20 0 GCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001169167546 1201934680 /nfs/dbraw/zinc/93/46/80/1201934680.db2.gz JBDOYMXIMCLIJM-LSDHHAIUSA-N 2 2 376.505 0.676 20 0 GCADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CO1 ZINC001169399781 1201946100 /nfs/dbraw/zinc/94/61/00/1201946100.db2.gz WSCQBPZTRUXUBE-JKSUJKDBSA-N 2 2 378.473 0.621 20 0 GCADLP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CO1 ZINC001169399781 1201946103 /nfs/dbraw/zinc/94/61/03/1201946103.db2.gz WSCQBPZTRUXUBE-JKSUJKDBSA-N 2 2 378.473 0.621 20 0 GCADLP CC(=O)N1CC[C@@H]([NH+]2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)C1 ZINC001169546352 1201951557 /nfs/dbraw/zinc/95/15/57/1201951557.db2.gz RZKKLCRVWKIANM-HXUWFJFHSA-N 2 2 392.544 0.642 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNC(=O)C(F)(F)F ZINC001109067314 1201992528 /nfs/dbraw/zinc/99/25/28/1201992528.db2.gz AVTOQAZSALMTPZ-RFGFWPKPSA-N 2 2 376.423 0.871 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNC(=O)C(F)(F)F ZINC001109067314 1201992530 /nfs/dbraw/zinc/99/25/30/1201992530.db2.gz AVTOQAZSALMTPZ-RFGFWPKPSA-N 2 2 376.423 0.871 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001109067314 1201992531 /nfs/dbraw/zinc/99/25/31/1201992531.db2.gz AVTOQAZSALMTPZ-RFGFWPKPSA-N 2 2 376.423 0.871 20 0 GCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNC(=O)C(F)(F)F ZINC001109067314 1201992532 /nfs/dbraw/zinc/99/25/32/1201992532.db2.gz AVTOQAZSALMTPZ-RFGFWPKPSA-N 2 2 376.423 0.871 20 0 GCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)[nH]n1 ZINC001109310536 1202017293 /nfs/dbraw/zinc/01/72/93/1202017293.db2.gz KYYFSNCYZLCTFK-BODMPHMZSA-N 2 2 377.489 0.520 20 0 GCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)[nH]n1 ZINC001109310536 1202017297 /nfs/dbraw/zinc/01/72/97/1202017297.db2.gz KYYFSNCYZLCTFK-BODMPHMZSA-N 2 2 377.489 0.520 20 0 GCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)[nH]n1 ZINC001109310536 1202017300 /nfs/dbraw/zinc/01/73/00/1202017300.db2.gz KYYFSNCYZLCTFK-BODMPHMZSA-N 2 2 377.489 0.520 20 0 GCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)[nH]n1 ZINC001109310536 1202017303 /nfs/dbraw/zinc/01/73/03/1202017303.db2.gz KYYFSNCYZLCTFK-BODMPHMZSA-N 2 2 377.489 0.520 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305668 1202018636 /nfs/dbraw/zinc/01/86/36/1202018636.db2.gz MDQVUAYKRUGBOU-MTSZKFMLSA-N 2 2 393.532 0.674 20 0 GCADLP CCCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305668 1202018639 /nfs/dbraw/zinc/01/86/39/1202018639.db2.gz MDQVUAYKRUGBOU-MTSZKFMLSA-N 2 2 393.532 0.674 20 0 GCADLP CCCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109305668 1202018642 /nfs/dbraw/zinc/01/86/42/1202018642.db2.gz MDQVUAYKRUGBOU-MTSZKFMLSA-N 2 2 393.532 0.674 20 0 GCADLP CCCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109305668 1202018648 /nfs/dbraw/zinc/01/86/48/1202018648.db2.gz MDQVUAYKRUGBOU-MTSZKFMLSA-N 2 2 393.532 0.674 20 0 GCADLP C[NH+]1CCN(c2ncc(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)cn2)CC1 ZINC000768536228 1202022094 /nfs/dbraw/zinc/02/20/94/1202022094.db2.gz SLYSGJAVFUNSPA-UHFFFAOYSA-N 2 2 394.520 0.547 20 0 GCADLP C[NH+]1CCN(c2ncc(C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)cn2)CC1 ZINC000768536228 1202022097 /nfs/dbraw/zinc/02/20/97/1202022097.db2.gz SLYSGJAVFUNSPA-UHFFFAOYSA-N 2 2 394.520 0.547 20 0 GCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1)C1CC1 ZINC001109402303 1202038638 /nfs/dbraw/zinc/03/86/38/1202038638.db2.gz MVINFDPFXZIIQC-VUHPKUFZSA-N 2 2 378.517 0.343 20 0 GCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1)C1CC1 ZINC001109402303 1202038641 /nfs/dbraw/zinc/03/86/41/1202038641.db2.gz MVINFDPFXZIIQC-VUHPKUFZSA-N 2 2 378.517 0.343 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)CCC1 ZINC001109403483 1202038887 /nfs/dbraw/zinc/03/88/87/1202038887.db2.gz JELVMRKRGQEIOP-ILXRZTDVSA-N 2 2 377.489 0.180 20 0 GCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)CCC1 ZINC001109403483 1202038891 /nfs/dbraw/zinc/03/88/91/1202038891.db2.gz JELVMRKRGQEIOP-ILXRZTDVSA-N 2 2 377.489 0.180 20 0 GCADLP C[NH+]1CCC2(CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000768940920 1202039415 /nfs/dbraw/zinc/03/94/15/1202039415.db2.gz AHARWKUTQNBIGU-UHFFFAOYSA-N 2 2 386.562 0.765 20 0 GCADLP C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C2CCC2)C3)CCO1 ZINC001109411646 1202040416 /nfs/dbraw/zinc/04/04/16/1202040416.db2.gz FWKZYWQTXRGBLI-RANZSIQMSA-N 2 2 378.517 0.440 20 0 GCADLP C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C2CCC2)C3)CCO1 ZINC001109411646 1202040418 /nfs/dbraw/zinc/04/04/18/1202040418.db2.gz FWKZYWQTXRGBLI-RANZSIQMSA-N 2 2 378.517 0.440 20 0 GCADLP C[C@H]1CN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)C2CCC2)C3)CCO1 ZINC001109411646 1202040421 /nfs/dbraw/zinc/04/04/21/1202040421.db2.gz FWKZYWQTXRGBLI-RANZSIQMSA-N 2 2 378.517 0.440 20 0 GCADLP C[C@H]1CN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C3)CCO1 ZINC001109411646 1202040424 /nfs/dbraw/zinc/04/04/24/1202040424.db2.gz FWKZYWQTXRGBLI-RANZSIQMSA-N 2 2 378.517 0.440 20 0 GCADLP C[C@H](CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000769207472 1202050749 /nfs/dbraw/zinc/05/07/49/1202050749.db2.gz STIWOZJVENBNDE-MRXNPFEDSA-N 2 2 397.564 0.728 20 0 GCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001109447364 1202053442 /nfs/dbraw/zinc/05/34/42/1202053442.db2.gz INVKOCRHGAREKQ-QXSJWSMHSA-N 2 2 381.521 0.530 20 0 GCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001109447364 1202053443 /nfs/dbraw/zinc/05/34/43/1202053443.db2.gz INVKOCRHGAREKQ-QXSJWSMHSA-N 2 2 381.521 0.530 20 0 GCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001109466044 1202056756 /nfs/dbraw/zinc/05/67/56/1202056756.db2.gz HEDJCPFRJAWIHG-ILXRZTDVSA-N 2 2 379.505 0.426 20 0 GCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001109466044 1202056759 /nfs/dbraw/zinc/05/67/59/1202056759.db2.gz HEDJCPFRJAWIHG-ILXRZTDVSA-N 2 2 379.505 0.426 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109466044 1202056761 /nfs/dbraw/zinc/05/67/61/1202056761.db2.gz HEDJCPFRJAWIHG-ILXRZTDVSA-N 2 2 379.505 0.426 20 0 GCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109466044 1202056763 /nfs/dbraw/zinc/05/67/63/1202056763.db2.gz HEDJCPFRJAWIHG-ILXRZTDVSA-N 2 2 379.505 0.426 20 0 GCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538700 1202076165 /nfs/dbraw/zinc/07/61/65/1202076165.db2.gz OQHLXBRBTMHELM-FXNRMWDQSA-N 2 2 376.501 0.049 20 0 GCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538700 1202076166 /nfs/dbraw/zinc/07/61/66/1202076166.db2.gz OQHLXBRBTMHELM-FXNRMWDQSA-N 2 2 376.501 0.049 20 0 GCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538700 1202076169 /nfs/dbraw/zinc/07/61/69/1202076169.db2.gz OQHLXBRBTMHELM-FXNRMWDQSA-N 2 2 376.501 0.049 20 0 GCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538700 1202076171 /nfs/dbraw/zinc/07/61/71/1202076171.db2.gz OQHLXBRBTMHELM-FXNRMWDQSA-N 2 2 376.501 0.049 20 0 GCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549100 1202076920 /nfs/dbraw/zinc/07/69/20/1202076920.db2.gz JFTYWMFDEZVQKY-QZWWFDLISA-N 2 2 380.489 0.098 20 0 GCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549100 1202076923 /nfs/dbraw/zinc/07/69/23/1202076923.db2.gz JFTYWMFDEZVQKY-QZWWFDLISA-N 2 2 380.489 0.098 20 0 GCADLP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638925 1202094367 /nfs/dbraw/zinc/09/43/67/1202094367.db2.gz LXMNAMKJTDNXPL-VSZNYVQBSA-N 2 2 380.533 0.686 20 0 GCADLP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638925 1202094370 /nfs/dbraw/zinc/09/43/70/1202094370.db2.gz LXMNAMKJTDNXPL-VSZNYVQBSA-N 2 2 380.533 0.686 20 0 GCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109638925 1202094372 /nfs/dbraw/zinc/09/43/72/1202094372.db2.gz LXMNAMKJTDNXPL-VSZNYVQBSA-N 2 2 380.533 0.686 20 0 GCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109638925 1202094375 /nfs/dbraw/zinc/09/43/75/1202094375.db2.gz LXMNAMKJTDNXPL-VSZNYVQBSA-N 2 2 380.533 0.686 20 0 GCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109645981 1202097341 /nfs/dbraw/zinc/09/73/41/1202097341.db2.gz BVMAEELADXSMMC-GHYVTOPFSA-N 2 2 377.445 0.260 20 0 GCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109645981 1202097345 /nfs/dbraw/zinc/09/73/45/1202097345.db2.gz BVMAEELADXSMMC-GHYVTOPFSA-N 2 2 377.445 0.260 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109648977 1202097842 /nfs/dbraw/zinc/09/78/42/1202097842.db2.gz MNZQSWLPZKJDRK-KBXIAJHMSA-N 2 2 379.505 0.284 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109648977 1202097844 /nfs/dbraw/zinc/09/78/44/1202097844.db2.gz MNZQSWLPZKJDRK-KBXIAJHMSA-N 2 2 379.505 0.284 20 0 GCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC(C)C ZINC001109671453 1202103270 /nfs/dbraw/zinc/10/32/70/1202103270.db2.gz JZQWQKTWQLLLTC-OWSLCNJRSA-N 2 2 377.489 0.603 20 0 GCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC(C)C ZINC001109671453 1202103272 /nfs/dbraw/zinc/10/32/72/1202103272.db2.gz JZQWQKTWQLLLTC-OWSLCNJRSA-N 2 2 377.489 0.603 20 0 GCADLP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671457 1202103431 /nfs/dbraw/zinc/10/34/31/1202103431.db2.gz KBTYCOZXXBYZTM-OWSLCNJRSA-N 2 2 377.489 0.605 20 0 GCADLP CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671457 1202103433 /nfs/dbraw/zinc/10/34/33/1202103433.db2.gz KBTYCOZXXBYZTM-OWSLCNJRSA-N 2 2 377.489 0.605 20 0 GCADLP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001109671457 1202103436 /nfs/dbraw/zinc/10/34/36/1202103436.db2.gz KBTYCOZXXBYZTM-OWSLCNJRSA-N 2 2 377.489 0.605 20 0 GCADLP CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001109671457 1202103438 /nfs/dbraw/zinc/10/34/38/1202103438.db2.gz KBTYCOZXXBYZTM-OWSLCNJRSA-N 2 2 377.489 0.605 20 0 GCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2ccsc2n1 ZINC001109673834 1202103898 /nfs/dbraw/zinc/10/38/98/1202103898.db2.gz SCYYBDHRXBBULQ-ILXRZTDVSA-N 2 2 375.498 0.929 20 0 GCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2ccsc2n1 ZINC001109673834 1202103899 /nfs/dbraw/zinc/10/38/99/1202103899.db2.gz SCYYBDHRXBBULQ-ILXRZTDVSA-N 2 2 375.498 0.929 20 0 GCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1)[NH+](CC)CC ZINC001109714478 1202110218 /nfs/dbraw/zinc/11/02/18/1202110218.db2.gz MBCJYIIROXQEAL-XDNAFOTISA-N 2 2 380.533 0.687 20 0 GCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1)[NH+](CC)CC ZINC001109714478 1202110222 /nfs/dbraw/zinc/11/02/22/1202110222.db2.gz MBCJYIIROXQEAL-XDNAFOTISA-N 2 2 380.533 0.687 20 0 GCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822412 1202130640 /nfs/dbraw/zinc/13/06/40/1202130640.db2.gz NOLACGFFQVVERC-IKGGRYGDSA-N 2 2 376.505 0.304 20 0 GCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822412 1202130641 /nfs/dbraw/zinc/13/06/41/1202130641.db2.gz NOLACGFFQVVERC-IKGGRYGDSA-N 2 2 376.505 0.304 20 0 GCADLP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C3)C1=O ZINC001109843514 1202133653 /nfs/dbraw/zinc/13/36/53/1202133653.db2.gz NQDYSLKPUBAOIF-VSZNYVQBSA-N 2 2 378.517 0.441 20 0 GCADLP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C3)C1=O ZINC001109843514 1202133655 /nfs/dbraw/zinc/13/36/55/1202133655.db2.gz NQDYSLKPUBAOIF-VSZNYVQBSA-N 2 2 378.517 0.441 20 0 GCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCCC1 ZINC001109846470 1202134319 /nfs/dbraw/zinc/13/43/19/1202134319.db2.gz LMDYWSPBEULHPW-SQNIBIBYSA-N 2 2 378.517 0.443 20 0 GCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCCC1 ZINC001109846470 1202134321 /nfs/dbraw/zinc/13/43/21/1202134321.db2.gz LMDYWSPBEULHPW-SQNIBIBYSA-N 2 2 378.517 0.443 20 0 GCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843625 1202134565 /nfs/dbraw/zinc/13/45/65/1202134565.db2.gz VIFHGIRXPZJWIQ-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843625 1202134567 /nfs/dbraw/zinc/13/45/67/1202134567.db2.gz VIFHGIRXPZJWIQ-SQNIBIBYSA-N 2 2 380.533 0.735 20 0 GCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849566 1202135441 /nfs/dbraw/zinc/13/54/41/1202135441.db2.gz XJARLIUIFRPQOD-BDXSIMOUSA-N 2 2 380.533 0.591 20 0 GCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849566 1202135444 /nfs/dbraw/zinc/13/54/44/1202135444.db2.gz XJARLIUIFRPQOD-BDXSIMOUSA-N 2 2 380.533 0.591 20 0 GCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849152 1202135599 /nfs/dbraw/zinc/13/55/99/1202135599.db2.gz FSNSYQLGNNAPIG-BDXSIMOUSA-N 2 2 380.533 0.687 20 0 GCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849152 1202135601 /nfs/dbraw/zinc/13/56/01/1202135601.db2.gz FSNSYQLGNNAPIG-BDXSIMOUSA-N 2 2 380.533 0.687 20 0 GCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109932093 1202152794 /nfs/dbraw/zinc/15/27/94/1202152794.db2.gz BEPJKGVUZSSBFE-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109932093 1202152797 /nfs/dbraw/zinc/15/27/97/1202152797.db2.gz BEPJKGVUZSSBFE-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109932093 1202152799 /nfs/dbraw/zinc/15/27/99/1202152799.db2.gz BEPJKGVUZSSBFE-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109932093 1202152802 /nfs/dbraw/zinc/15/28/02/1202152802.db2.gz BEPJKGVUZSSBFE-ILXRZTDVSA-N 2 2 381.521 0.674 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110006059 1202172640 /nfs/dbraw/zinc/17/26/40/1202172640.db2.gz SWALVZKCDGUWMB-OWSLCNJRSA-N 2 2 380.533 0.735 20 0 GCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110006059 1202172642 /nfs/dbraw/zinc/17/26/42/1202172642.db2.gz SWALVZKCDGUWMB-OWSLCNJRSA-N 2 2 380.533 0.735 20 0 GCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001110021392 1202176074 /nfs/dbraw/zinc/17/60/74/1202176074.db2.gz BYBLPTCQOOERPQ-OJLVUWQFSA-N 2 2 379.505 0.426 20 0 GCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001110021392 1202176077 /nfs/dbraw/zinc/17/60/77/1202176077.db2.gz BYBLPTCQOOERPQ-OJLVUWQFSA-N 2 2 379.505 0.426 20 0 GCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001110021392 1202176078 /nfs/dbraw/zinc/17/60/78/1202176078.db2.gz BYBLPTCQOOERPQ-OJLVUWQFSA-N 2 2 379.505 0.426 20 0 GCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001110021392 1202176080 /nfs/dbraw/zinc/17/60/80/1202176080.db2.gz BYBLPTCQOOERPQ-OJLVUWQFSA-N 2 2 379.505 0.426 20 0 GCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001110019096 1202176368 /nfs/dbraw/zinc/17/63/68/1202176368.db2.gz FFDUZVDISLIZRC-BDXSIMOUSA-N 2 2 380.533 0.593 20 0 GCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001110019096 1202176369 /nfs/dbraw/zinc/17/63/69/1202176369.db2.gz FFDUZVDISLIZRC-BDXSIMOUSA-N 2 2 380.533 0.593 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110019096 1202176372 /nfs/dbraw/zinc/17/63/72/1202176372.db2.gz FFDUZVDISLIZRC-BDXSIMOUSA-N 2 2 380.533 0.593 20 0 GCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110019096 1202176376 /nfs/dbraw/zinc/17/63/76/1202176376.db2.gz FFDUZVDISLIZRC-BDXSIMOUSA-N 2 2 380.533 0.593 20 0 GCADLP C[C@H](Cc1ccco1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787945374 1205409504 /nfs/dbraw/zinc/40/95/04/1205409504.db2.gz ZTBYJMYPAJJWGR-WBVHZDCISA-N 2 2 376.501 0.954 20 0 GCADLP C[C@H](Cc1ccco1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787945374 1205409505 /nfs/dbraw/zinc/40/95/05/1205409505.db2.gz ZTBYJMYPAJJWGR-WBVHZDCISA-N 2 2 376.501 0.954 20 0 GCADLP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791623358 1205478863 /nfs/dbraw/zinc/47/88/63/1205478863.db2.gz JKAUNHSHLUJJIX-YJBOKZPZSA-N 2 2 378.521 0.254 20 0 GCADLP CN(C(=O)C[C@H]1CCCOC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000793443297 1205498802 /nfs/dbraw/zinc/49/88/02/1205498802.db2.gz GFNFNOXUGLDEOF-QGZVFWFLSA-N 2 2 380.533 0.500 20 0 GCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793715990 1205503503 /nfs/dbraw/zinc/50/35/03/1205503503.db2.gz BSIJCSPPQQRARF-DLBZAZTESA-N 2 2 383.452 0.468 20 0 GCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793715990 1205503504 /nfs/dbraw/zinc/50/35/04/1205503504.db2.gz BSIJCSPPQQRARF-DLBZAZTESA-N 2 2 383.452 0.468 20 0 GCADLP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129898084 1205524432 /nfs/dbraw/zinc/52/44/32/1205524432.db2.gz LYLWZEVDZGABMS-AHCXZYCDSA-N 2 2 387.488 0.819 20 0 GCADLP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129898084 1205524433 /nfs/dbraw/zinc/52/44/33/1205524433.db2.gz LYLWZEVDZGABMS-AHCXZYCDSA-N 2 2 387.488 0.819 20 0 GCADLP Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000806210415 1205551694 /nfs/dbraw/zinc/55/16/94/1205551694.db2.gz PSTXPMMMQWPWMY-CRAIPNDOSA-N 2 2 389.500 0.931 20 0 GCADLP Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000806210415 1205551695 /nfs/dbraw/zinc/55/16/95/1205551695.db2.gz PSTXPMMMQWPWMY-CRAIPNDOSA-N 2 2 389.500 0.931 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3C3OCCO3)C2)CC1 ZINC000806209807 1205551889 /nfs/dbraw/zinc/55/18/89/1205551889.db2.gz BGQNBJOTZDNSRN-WBVHZDCISA-N 2 2 394.516 0.025 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3C3OCCO3)C2)CC1 ZINC000806209807 1205551891 /nfs/dbraw/zinc/55/18/91/1205551891.db2.gz BGQNBJOTZDNSRN-WBVHZDCISA-N 2 2 394.516 0.025 20 0 GCADLP CN(Cc1ncc(Cl)n1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806211329 1205551944 /nfs/dbraw/zinc/55/19/44/1205551944.db2.gz XARZGTUKHVIPAP-ZDUSSCGKSA-N 2 2 396.923 0.317 20 0 GCADLP CN(Cc1ncc(Cl)n1C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806211329 1205551945 /nfs/dbraw/zinc/55/19/45/1205551945.db2.gz XARZGTUKHVIPAP-ZDUSSCGKSA-N 2 2 396.923 0.317 20 0 GCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]c12 ZINC000806537731 1205558287 /nfs/dbraw/zinc/55/82/87/1205558287.db2.gz VCZRVFVZHNCOQT-IRXDYDNUSA-N 2 2 385.468 0.281 20 0 GCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)CC1 ZINC000806842938 1205567650 /nfs/dbraw/zinc/56/76/50/1205567650.db2.gz AZBPQYZQCCMRBR-OCCSQVGLSA-N 2 2 376.423 0.824 20 0 GCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)CC1 ZINC000806842938 1205567652 /nfs/dbraw/zinc/56/76/52/1205567652.db2.gz AZBPQYZQCCMRBR-OCCSQVGLSA-N 2 2 376.423 0.824 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103069 1205595343 /nfs/dbraw/zinc/59/53/43/1205595343.db2.gz CHAOAQUGUCCIBI-RZFFKMDDSA-N 2 2 376.461 0.147 20 0 GCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103069 1205595344 /nfs/dbraw/zinc/59/53/44/1205595344.db2.gz CHAOAQUGUCCIBI-RZFFKMDDSA-N 2 2 376.461 0.147 20 0 GCADLP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001131564311 1205618198 /nfs/dbraw/zinc/61/81/98/1205618198.db2.gz GTDWUDLFDKRCSG-NNFUDEMPSA-N 2 2 389.500 0.255 20 0 GCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955227 1205632057 /nfs/dbraw/zinc/63/20/57/1205632057.db2.gz STFFVZVDCLLHRH-KXBFYZLASA-N 2 2 384.521 0.501 20 0 GCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955227 1205632058 /nfs/dbraw/zinc/63/20/58/1205632058.db2.gz STFFVZVDCLLHRH-KXBFYZLASA-N 2 2 384.521 0.501 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810068990 1205633919 /nfs/dbraw/zinc/63/39/19/1205633919.db2.gz DHGQTCCVMLJQKZ-KBPBESRZSA-N 2 2 378.439 0.930 20 0 GCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810068990 1205633920 /nfs/dbraw/zinc/63/39/20/1205633920.db2.gz DHGQTCCVMLJQKZ-KBPBESRZSA-N 2 2 378.439 0.930 20 0 GCADLP COC(=O)CC[C@]1(C)NC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000811750514 1205655211 /nfs/dbraw/zinc/65/52/11/1205655211.db2.gz YWJZFJJAKUHKTK-SFHVURJKSA-N 2 2 384.477 0.250 20 0 GCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000812021640 1205660354 /nfs/dbraw/zinc/66/03/54/1205660354.db2.gz XMHIJAVWWLJKLO-MRXNPFEDSA-N 2 2 379.505 0.932 20 0 GCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000812021640 1205660356 /nfs/dbraw/zinc/66/03/56/1205660356.db2.gz XMHIJAVWWLJKLO-MRXNPFEDSA-N 2 2 379.505 0.932 20 0 GCADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCS(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000812831477 1205669001 /nfs/dbraw/zinc/66/90/01/1205669001.db2.gz UVBNWNIVRFIORQ-UHFFFAOYSA-N 2 2 396.557 0.973 20 0 GCADLP CON(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000812872031 1205669580 /nfs/dbraw/zinc/66/95/80/1205669580.db2.gz LOXSBJQTHNMPFA-INIZCTEOSA-N 2 2 389.500 0.851 20 0 GCADLP CCN1CC[C@@H]([N@@H+]2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)CC1=O ZINC001172037304 1205712021 /nfs/dbraw/zinc/71/20/21/1205712021.db2.gz OSXVGPNLSKFTJF-SJLPKXTDSA-N 2 2 390.532 0.838 20 0 GCADLP CCN1CC[C@@H]([N@H+]2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)CC1=O ZINC001172037304 1205712023 /nfs/dbraw/zinc/71/20/23/1205712023.db2.gz OSXVGPNLSKFTJF-SJLPKXTDSA-N 2 2 390.532 0.838 20 0 GCADLP C[NH+]1CCN(C[C@H]2Cn3ccnc3C[N@@H+]([C@@H]3CCN4C(=O)CC[C@H]4C3)C2)CC1 ZINC001172179855 1205714569 /nfs/dbraw/zinc/71/45/69/1205714569.db2.gz VOAIOXBHZVPGKB-OTWHNJEPSA-N 2 2 386.544 0.716 20 0 GCADLP C[NH+]1CCN(C[C@H]2Cn3ccnc3C[N@H+]([C@@H]3CCN4C(=O)CC[C@H]4C3)C2)CC1 ZINC001172179855 1205714570 /nfs/dbraw/zinc/71/45/70/1205714570.db2.gz VOAIOXBHZVPGKB-OTWHNJEPSA-N 2 2 386.544 0.716 20 0 GCADLP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172261924 1205715390 /nfs/dbraw/zinc/71/53/90/1205715390.db2.gz ZHQQCJZNYJATLB-WCXIOVBPSA-N 2 2 392.452 0.635 20 0 GCADLP CC(C)(C)OC(=O)CN1CCC([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001172892798 1205718101 /nfs/dbraw/zinc/71/81/01/1205718101.db2.gz CYNDQGDDLUNGNE-UHFFFAOYSA-N 2 2 396.576 0.742 20 0 GCADLP CC[N@@H+]1CC[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(=O)(=O)C2CC2)C1 ZINC001173364084 1205720104 /nfs/dbraw/zinc/72/01/04/1205720104.db2.gz SVPYXQPVHYBXMQ-OAHLLOKOSA-N 2 2 395.529 0.125 20 0 GCADLP CC[N@H+]1CC[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(=O)(=O)C2CC2)C1 ZINC001173364084 1205720106 /nfs/dbraw/zinc/72/01/06/1205720106.db2.gz SVPYXQPVHYBXMQ-OAHLLOKOSA-N 2 2 395.529 0.125 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+]([C@H]2CCC[C@H](n4ncnn4)C2)CC3)CC1 ZINC001173753870 1205727560 /nfs/dbraw/zinc/72/75/60/1205727560.db2.gz PPTVOIBBPHUHQY-ROUUACIJSA-N 2 2 385.520 0.617 20 0 GCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+]([C@H]2CCC[C@H](n4ncnn4)C2)CC3)CC1 ZINC001173753870 1205727561 /nfs/dbraw/zinc/72/75/61/1205727561.db2.gz PPTVOIBBPHUHQY-ROUUACIJSA-N 2 2 385.520 0.617 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1 ZINC001110194965 1205747549 /nfs/dbraw/zinc/74/75/49/1205747549.db2.gz KCUSVDFNZWQZMK-LMSBXDPUSA-N 2 2 378.473 0.161 20 0 GCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COC1CCOCC1 ZINC001110194965 1205747551 /nfs/dbraw/zinc/74/75/51/1205747551.db2.gz KCUSVDFNZWQZMK-LMSBXDPUSA-N 2 2 378.473 0.161 20 0 GCADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177083383 1205760553 /nfs/dbraw/zinc/76/05/53/1205760553.db2.gz BNSUSOZJIVIAKI-CABCVRRESA-N 2 2 381.477 0.635 20 0 GCADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177083383 1205760555 /nfs/dbraw/zinc/76/05/55/1205760555.db2.gz BNSUSOZJIVIAKI-CABCVRRESA-N 2 2 381.477 0.635 20 0 GCADLP CN(CC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)c1cccc[nH+]1 ZINC001177417632 1205769569 /nfs/dbraw/zinc/76/95/69/1205769569.db2.gz SZPAVVCVCUHGCG-UHFFFAOYSA-N 2 2 389.481 0.464 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001178692321 1205792065 /nfs/dbraw/zinc/79/20/65/1205792065.db2.gz MHGQRXGYCCXAQZ-MRXNPFEDSA-N 2 2 388.516 0.177 20 0 GCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001178692321 1205792066 /nfs/dbraw/zinc/79/20/66/1205792066.db2.gz MHGQRXGYCCXAQZ-MRXNPFEDSA-N 2 2 388.516 0.177 20 0 GCADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)CN4CC[NH+](C)CC4)C3)O2)CC1 ZINC001178947956 1205797228 /nfs/dbraw/zinc/79/72/28/1205797228.db2.gz DNGCMSGSYWDPKD-TZIWHRDSSA-N 2 2 393.576 0.021 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CC34CCOCC4)CC2)C1=O ZINC001179311628 1205808026 /nfs/dbraw/zinc/80/80/26/1205808026.db2.gz CTTNSIMQESESRM-QGZVFWFLSA-N 2 2 392.544 0.500 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CC34CCOCC4)CC2)C1=O ZINC001179311628 1205808028 /nfs/dbraw/zinc/80/80/28/1205808028.db2.gz CTTNSIMQESESRM-QGZVFWFLSA-N 2 2 392.544 0.500 20 0 GCADLP CC(C)[NH+]1CCN(CC(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001180345798 1205821982 /nfs/dbraw/zinc/82/19/82/1205821982.db2.gz WMUKTDQDFOYILL-UHFFFAOYSA-N 2 2 386.504 0.281 20 0 GCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001180408899 1205824687 /nfs/dbraw/zinc/82/46/87/1205824687.db2.gz TYBPUUUEMQZXIA-FGTMMUONSA-N 2 2 386.452 0.351 20 0 GCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001180408899 1205824688 /nfs/dbraw/zinc/82/46/88/1205824688.db2.gz TYBPUUUEMQZXIA-FGTMMUONSA-N 2 2 386.452 0.351 20 0 GCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001180408899 1205824689 /nfs/dbraw/zinc/82/46/89/1205824689.db2.gz TYBPUUUEMQZXIA-FGTMMUONSA-N 2 2 386.452 0.351 20 0 GCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001180408899 1205824690 /nfs/dbraw/zinc/82/46/90/1205824690.db2.gz TYBPUUUEMQZXIA-FGTMMUONSA-N 2 2 386.452 0.351 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@H]3CCCCO3)CC2)C1=O ZINC001180421377 1205824932 /nfs/dbraw/zinc/82/49/32/1205824932.db2.gz TXJLSIDVUWGSSS-QGZVFWFLSA-N 2 2 380.533 0.642 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@H]3CCCCO3)CC2)C1=O ZINC001180421377 1205824934 /nfs/dbraw/zinc/82/49/34/1205824934.db2.gz TXJLSIDVUWGSSS-QGZVFWFLSA-N 2 2 380.533 0.642 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@@H]3CCCCO3)CC2)C1=O ZINC001180421376 1205825101 /nfs/dbraw/zinc/82/51/01/1205825101.db2.gz TXJLSIDVUWGSSS-KRWDZBQOSA-N 2 2 380.533 0.642 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@@H]3CCCCO3)CC2)C1=O ZINC001180421376 1205825103 /nfs/dbraw/zinc/82/51/03/1205825103.db2.gz TXJLSIDVUWGSSS-KRWDZBQOSA-N 2 2 380.533 0.642 20 0 GCADLP C[C@@H](C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)[NH+]1CCCC1 ZINC001180581651 1205826080 /nfs/dbraw/zinc/82/60/80/1205826080.db2.gz YWRNISGQZMYOHQ-HNNXBMFYSA-N 2 2 388.516 0.177 20 0 GCADLP C[C@H](C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)[NH+]1CCCC1 ZINC001180581668 1205826271 /nfs/dbraw/zinc/82/62/71/1205826271.db2.gz YWRNISGQZMYOHQ-OAHLLOKOSA-N 2 2 388.516 0.177 20 0 GCADLP Nc1cc(CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)cc[nH+]1 ZINC001181276886 1205841038 /nfs/dbraw/zinc/84/10/38/1205841038.db2.gz KJQJDTPZNJHWKK-UHFFFAOYSA-N 2 2 375.454 0.153 20 0 GCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C12CC[NH+](CC1)CC2 ZINC001181546813 1205846027 /nfs/dbraw/zinc/84/60/27/1205846027.db2.gz JDXJBQCCDFILIU-VQIMIIECSA-N 2 2 379.501 0.727 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182013017 1205854525 /nfs/dbraw/zinc/85/45/25/1205854525.db2.gz XPHCKCWGTGIQLN-UWVAXJGDSA-N 2 2 379.501 0.583 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[C@H]3C(F)(F)F)CC2)C1=O ZINC001182312023 1205864582 /nfs/dbraw/zinc/86/45/82/1205864582.db2.gz AMOWXMUDNCQCLU-UONOGXRCSA-N 2 2 390.450 0.882 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[C@H]3C(F)(F)F)CC2)C1=O ZINC001182312023 1205864584 /nfs/dbraw/zinc/86/45/84/1205864584.db2.gz AMOWXMUDNCQCLU-UONOGXRCSA-N 2 2 390.450 0.882 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)COC(F)(F)F)CC2)C1=O ZINC001183207273 1205889913 /nfs/dbraw/zinc/88/99/13/1205889913.db2.gz AJYZBCQZUHYHDM-UHFFFAOYSA-N 2 2 380.411 0.220 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)COC(F)(F)F)CC2)C1=O ZINC001183207273 1205889914 /nfs/dbraw/zinc/88/99/14/1205889914.db2.gz AJYZBCQZUHYHDM-UHFFFAOYSA-N 2 2 380.411 0.220 20 0 GCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C12CCC[NH+]1CCC2 ZINC001183557660 1205894862 /nfs/dbraw/zinc/89/48/62/1205894862.db2.gz SRICDAJOYCCSQS-APWZRJJASA-N 2 2 379.501 0.870 20 0 GCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001183919963 1205902911 /nfs/dbraw/zinc/90/29/11/1205902911.db2.gz ROWOJERMRNIZMI-CXAGYDPISA-N 2 2 398.577 0.404 20 0 GCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001183919963 1205902912 /nfs/dbraw/zinc/90/29/12/1205902912.db2.gz ROWOJERMRNIZMI-CXAGYDPISA-N 2 2 398.577 0.404 20 0 GCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@@H]([NH+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001185250090 1205918843 /nfs/dbraw/zinc/91/88/43/1205918843.db2.gz CJYAERYPEMAUBI-ZRNYENFQSA-N 2 2 387.528 0.518 20 0 GCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]([NH+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001185250090 1205918845 /nfs/dbraw/zinc/91/88/45/1205918845.db2.gz CJYAERYPEMAUBI-ZRNYENFQSA-N 2 2 387.528 0.518 20 0 GCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001185250090 1205918847 /nfs/dbraw/zinc/91/88/47/1205918847.db2.gz CJYAERYPEMAUBI-ZRNYENFQSA-N 2 2 387.528 0.518 20 0 GCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001185250090 1205918848 /nfs/dbraw/zinc/91/88/48/1205918848.db2.gz CJYAERYPEMAUBI-ZRNYENFQSA-N 2 2 387.528 0.518 20 0 GCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)C1 ZINC001186106908 1205934946 /nfs/dbraw/zinc/93/49/46/1205934946.db2.gz QHRBWTVWMXHPPO-HNNXBMFYSA-N 2 2 385.468 0.702 20 0 GCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)C1 ZINC001186106908 1205934947 /nfs/dbraw/zinc/93/49/47/1205934947.db2.gz QHRBWTVWMXHPPO-HNNXBMFYSA-N 2 2 385.468 0.702 20 0 GCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C1=O ZINC001188390617 1205981512 /nfs/dbraw/zinc/98/15/12/1205981512.db2.gz XWFWRDWJMXYHMJ-UHFFFAOYSA-N 2 2 388.516 0.598 20 0 GCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C1=O ZINC001188390617 1205981516 /nfs/dbraw/zinc/98/15/16/1205981516.db2.gz XWFWRDWJMXYHMJ-UHFFFAOYSA-N 2 2 388.516 0.598 20 0 GCADLP CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001188630933 1205989030 /nfs/dbraw/zinc/98/90/30/1205989030.db2.gz ZLXAGCVKQGFEOH-MANSERQUSA-N 2 2 381.517 0.435 20 0 GCADLP CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001188630933 1205989031 /nfs/dbraw/zinc/98/90/31/1205989031.db2.gz ZLXAGCVKQGFEOH-MANSERQUSA-N 2 2 381.517 0.435 20 0 GCADLP COc1nc(S(=O)(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)ccc1F ZINC001190092512 1206024863 /nfs/dbraw/zinc/02/48/63/1206024863.db2.gz LNIMMTKZBPNQLG-UHFFFAOYSA-N 2 2 386.493 0.877 20 0 GCADLP CCN1CC[NH+](Cc2ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc2)CC1 ZINC001190867059 1206049436 /nfs/dbraw/zinc/04/94/36/1206049436.db2.gz VSBSIDXLGYJUQQ-UHFFFAOYSA-N 2 2 393.492 0.102 20 0 GCADLP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775431853 1206054988 /nfs/dbraw/zinc/05/49/88/1206054988.db2.gz YPVNCJZVEGFBBW-OAHLLOKOSA-N 2 2 387.525 0.415 20 0 GCADLP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775431853 1206054992 /nfs/dbraw/zinc/05/49/92/1206054992.db2.gz YPVNCJZVEGFBBW-OAHLLOKOSA-N 2 2 387.525 0.415 20 0 GCADLP COCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775431853 1206054995 /nfs/dbraw/zinc/05/49/95/1206054995.db2.gz YPVNCJZVEGFBBW-OAHLLOKOSA-N 2 2 387.525 0.415 20 0 GCADLP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775431853 1206054999 /nfs/dbraw/zinc/05/49/99/1206054999.db2.gz YPVNCJZVEGFBBW-OAHLLOKOSA-N 2 2 387.525 0.415 20 0 GCADLP