smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1F ZINC001474964852 1069321272 /nfs/dbraw/zinc/32/12/72/1069321272.db2.gz HJCYXXUPSMBHQB-HNNXBMFYSA-N 1 2 450.602 1.139 20 0 JDADLO COCCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001475003366 1069331836 /nfs/dbraw/zinc/33/18/36/1069331836.db2.gz CBPQVZRQYYFJED-UHFFFAOYSA-N 1 2 451.383 1.552 20 0 JDADLO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC001475027135 1069338230 /nfs/dbraw/zinc/33/82/30/1069338230.db2.gz GNMFIAPVPWFRGO-LLVKDONJSA-N 1 2 453.380 1.640 20 0 JDADLO CCCN1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)CC1=O ZINC001501009140 1069353930 /nfs/dbraw/zinc/35/39/30/1069353930.db2.gz ISOLECDBDCPVFS-UHFFFAOYSA-N 1 2 484.605 1.485 20 0 JDADLO CCCN1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)CC1=O ZINC001501009140 1069353940 /nfs/dbraw/zinc/35/39/40/1069353940.db2.gz ISOLECDBDCPVFS-UHFFFAOYSA-N 1 2 484.605 1.485 20 0 JDADLO CCOC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)cn1C ZINC001475077756 1069351885 /nfs/dbraw/zinc/35/18/85/1069351885.db2.gz SAFLZBUPWSDNJI-MRXNPFEDSA-N 1 2 451.545 1.772 20 0 JDADLO CCOC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)cn1C ZINC001475077756 1069351901 /nfs/dbraw/zinc/35/19/01/1069351901.db2.gz SAFLZBUPWSDNJI-MRXNPFEDSA-N 1 2 451.545 1.772 20 0 JDADLO CCCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)CC1=O ZINC001501025480 1069362511 /nfs/dbraw/zinc/36/25/11/1069362511.db2.gz SIWKONGZFBLQCP-QZTJIDSGSA-N 1 2 494.687 1.993 20 0 JDADLO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001501055048 1069370879 /nfs/dbraw/zinc/37/08/79/1069370879.db2.gz KYAWWNZCLHNBFR-BZSNNMDCSA-N 1 2 475.681 1.314 20 0 JDADLO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001501055048 1069370887 /nfs/dbraw/zinc/37/08/87/1069370887.db2.gz KYAWWNZCLHNBFR-BZSNNMDCSA-N 1 2 475.681 1.314 20 0 JDADLO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001501056325 1069370944 /nfs/dbraw/zinc/37/09/44/1069370944.db2.gz UONOMUQWNHRQGG-ROUUACIJSA-N 1 2 487.692 1.458 20 0 JDADLO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001501056325 1069370954 /nfs/dbraw/zinc/37/09/54/1069370954.db2.gz UONOMUQWNHRQGG-ROUUACIJSA-N 1 2 487.692 1.458 20 0 JDADLO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001501093928 1069389468 /nfs/dbraw/zinc/38/94/68/1069389468.db2.gz PCCFYYRXLKPXTI-BKSPAHHJSA-N 1 2 492.665 1.782 20 0 JDADLO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001501093928 1069389482 /nfs/dbraw/zinc/38/94/82/1069389482.db2.gz PCCFYYRXLKPXTI-BKSPAHHJSA-N 1 2 492.665 1.782 20 0 JDADLO CCCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001501141151 1069412104 /nfs/dbraw/zinc/41/21/04/1069412104.db2.gz ZBGCHEXTWLQJGS-IBGZPJMESA-N 1 2 455.607 1.727 20 0 JDADLO CCCNC(=O)CCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001501159402 1069421153 /nfs/dbraw/zinc/42/11/53/1069421153.db2.gz JTFPRRUWLRXGDC-SFHVURJKSA-N 1 2 453.591 1.651 20 0 JDADLO CCCNC(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001501162701 1069422420 /nfs/dbraw/zinc/42/24/20/1069422420.db2.gz VQZBSBVJMHCGDU-QFIPXVFZSA-N 1 2 484.649 1.488 20 0 JDADLO CCCNC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001501172695 1069430088 /nfs/dbraw/zinc/43/00/88/1069430088.db2.gz ALIQUMFRTMIASP-HXUWFJFHSA-N 1 2 482.633 1.313 20 0 JDADLO CCCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001501192794 1069445346 /nfs/dbraw/zinc/44/53/46/1069445346.db2.gz LGXDUWIVEGTKFJ-UHFFFAOYSA-N 1 2 477.013 1.510 20 0 JDADLO CCCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001501204138 1069454721 /nfs/dbraw/zinc/45/47/21/1069454721.db2.gz KQROQENMLJXEPS-NRFANRHFSA-N 1 2 461.655 1.693 20 0 JDADLO CCCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001501210266 1069459903 /nfs/dbraw/zinc/45/99/03/1069459903.db2.gz HYQKKVAFBMULFL-NRFANRHFSA-N 1 2 481.645 1.836 20 0 JDADLO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C(C)(C)COC)CC2)cc1F ZINC001475414709 1069462679 /nfs/dbraw/zinc/46/26/79/1069462679.db2.gz YURUJLYCDAYAEY-UHFFFAOYSA-N 1 2 451.586 1.709 20 0 JDADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccc(F)c(Br)c3F)CC2)C1=O ZINC001475433987 1069466636 /nfs/dbraw/zinc/46/66/36/1069466636.db2.gz GGOMKZJICUMWPQ-GFCCVEGCSA-N 1 2 452.321 1.701 20 0 JDADLO C[S@@](=O)(=NS(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC001475493728 1069479988 /nfs/dbraw/zinc/47/99/88/1069479988.db2.gz VLCIIAYZHPXTAX-SHACYNPGSA-N 1 2 454.412 1.587 20 0 JDADLO CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501322618 1069485363 /nfs/dbraw/zinc/48/53/63/1069485363.db2.gz ZMUFGAWNEXTGOG-OAQYLSRUSA-N 1 2 475.638 1.350 20 0 JDADLO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001501332475 1069486405 /nfs/dbraw/zinc/48/64/05/1069486405.db2.gz GINVXKBUSPHJSE-ROUUACIJSA-N 1 2 456.657 1.811 20 0 JDADLO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)c1F ZINC001475538316 1069488849 /nfs/dbraw/zinc/48/88/49/1069488849.db2.gz DSWBODMSBFSQMK-MRXNPFEDSA-N 1 2 453.511 1.846 20 0 JDADLO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)c1F ZINC001475538316 1069488856 /nfs/dbraw/zinc/48/88/56/1069488856.db2.gz DSWBODMSBFSQMK-MRXNPFEDSA-N 1 2 453.511 1.846 20 0 JDADLO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)cc(F)c1F ZINC001475538385 1069488879 /nfs/dbraw/zinc/48/88/79/1069488879.db2.gz HSSICBNRFHFLKN-INIZCTEOSA-N 1 2 453.511 1.846 20 0 JDADLO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)cc(F)c1F ZINC001475538385 1069488885 /nfs/dbraw/zinc/48/88/85/1069488885.db2.gz HSSICBNRFHFLKN-INIZCTEOSA-N 1 2 453.511 1.846 20 0 JDADLO COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001475627240 1069509095 /nfs/dbraw/zinc/50/90/95/1069509095.db2.gz HSTSKMGKXMEYFV-LJQANCHMSA-N 1 2 454.593 1.781 20 0 JDADLO CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001501407124 1069513565 /nfs/dbraw/zinc/51/35/65/1069513565.db2.gz PHLRFQDXMSTCQK-UHFFFAOYSA-N 1 2 469.590 1.176 20 0 JDADLO O=c1[nH]c2ccc(S(=O)(=O)NCCN(Cc3ccccc3)c3cccc[nH+]3)cc2[nH]c1=O ZINC001475649324 1069513789 /nfs/dbraw/zinc/51/37/89/1069513789.db2.gz GABOPVRSPMBVAQ-UHFFFAOYSA-N 1 2 451.508 1.597 20 0 JDADLO Cn1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c(C(F)(F)F)n1 ZINC001475683871 1069524604 /nfs/dbraw/zinc/52/46/04/1069524604.db2.gz QNJPLMAHZUOKCW-OAHLLOKOSA-N 1 2 459.494 1.103 20 0 JDADLO CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001501421907 1069524767 /nfs/dbraw/zinc/52/47/67/1069524767.db2.gz YMVDAPBTIXOMRJ-GOSISDBHSA-N 1 2 456.595 1.809 20 0 JDADLO Cn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c(C(F)(F)F)n1 ZINC001475683870 1069524306 /nfs/dbraw/zinc/52/43/06/1069524306.db2.gz QNJPLMAHZUOKCW-HNNXBMFYSA-N 1 2 459.494 1.103 20 0 JDADLO CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001501500171 1069543733 /nfs/dbraw/zinc/54/37/33/1069543733.db2.gz JGKORIBJRVCWDP-QGZVFWFLSA-N 1 2 489.577 1.803 20 0 JDADLO CCOC(=O)c1csc(N2CCN(S(=O)(=O)c3cccc4c3CC[N@H+](C)C4)CC2)n1 ZINC001475792583 1069549110 /nfs/dbraw/zinc/54/91/10/1069549110.db2.gz HERMIVMWKCKSTJ-UHFFFAOYSA-N 1 2 450.586 1.819 20 0 JDADLO CCOC(=O)c1csc(N2CCN(S(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)CC2)n1 ZINC001475792583 1069549118 /nfs/dbraw/zinc/54/91/18/1069549118.db2.gz HERMIVMWKCKSTJ-UHFFFAOYSA-N 1 2 450.586 1.819 20 0 JDADLO CCN(c1nnc(-c2ccccn2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001501575433 1069554438 /nfs/dbraw/zinc/55/44/38/1069554438.db2.gz KKDUISGPYBIDRY-CEXWTWQISA-N 1 2 462.620 1.853 20 0 JDADLO CCN(c1nnc(-c2ccccn2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001501575433 1069554447 /nfs/dbraw/zinc/55/44/47/1069554447.db2.gz KKDUISGPYBIDRY-CEXWTWQISA-N 1 2 462.620 1.853 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)c1 ZINC001475836214 1069557673 /nfs/dbraw/zinc/55/76/73/1069557673.db2.gz MQSDCZTVRALCAP-KRWDZBQOSA-N 1 2 454.641 1.541 20 0 JDADLO CCCCc1nnc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC001475882649 1069569185 /nfs/dbraw/zinc/56/91/85/1069569185.db2.gz IOZMFKBUUIQPED-UHFFFAOYSA-N 1 2 453.594 1.549 20 0 JDADLO COCCOCc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC001475987554 1069583788 /nfs/dbraw/zinc/58/37/88/1069583788.db2.gz RPIMVULVNSCZRJ-UHFFFAOYSA-N 1 2 456.547 1.830 20 0 JDADLO COCCOCc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC001475987554 1069583791 /nfs/dbraw/zinc/58/37/91/1069583791.db2.gz RPIMVULVNSCZRJ-UHFFFAOYSA-N 1 2 456.547 1.830 20 0 JDADLO CCNC(=O)c1ccc(C)c(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC001475967806 1069582664 /nfs/dbraw/zinc/58/26/64/1069582664.db2.gz FTMBMRNOJPMRNV-UHFFFAOYSA-N 1 2 453.547 1.725 20 0 JDADLO CCNC(=O)c1ccc(C)c(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC001475967806 1069582670 /nfs/dbraw/zinc/58/26/70/1069582670.db2.gz FTMBMRNOJPMRNV-UHFFFAOYSA-N 1 2 453.547 1.725 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C2)CC1 ZINC001475959186 1069581468 /nfs/dbraw/zinc/58/14/68/1069581468.db2.gz TYJYPMXCGXXHQT-INIZCTEOSA-N 1 2 453.565 1.644 20 0 JDADLO CCCS(=O)(=O)Nc1cccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1C ZINC001476111780 1069604987 /nfs/dbraw/zinc/60/49/87/1069604987.db2.gz RZRAMWKMQKAAFW-NRFANRHFSA-N 1 2 454.593 1.884 20 0 JDADLO CCCS(=O)(=O)Nc1cccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1C ZINC001476111780 1069605014 /nfs/dbraw/zinc/60/50/14/1069605014.db2.gz RZRAMWKMQKAAFW-NRFANRHFSA-N 1 2 454.593 1.884 20 0 JDADLO CCN(CC)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001501759970 1069614438 /nfs/dbraw/zinc/61/44/38/1069614438.db2.gz PWPHCRLKAIBPMB-SFHVURJKSA-N 1 2 468.668 1.749 20 0 JDADLO CCN(CC)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001501759637 1069613155 /nfs/dbraw/zinc/61/31/55/1069613155.db2.gz MKMIYCFAXCZHMV-IBGZPJMESA-N 1 2 468.668 1.607 20 0 JDADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)cc1 ZINC001476179106 1069626873 /nfs/dbraw/zinc/62/68/73/1069626873.db2.gz MQIKGYQSSSVHBQ-UHFFFAOYSA-N 1 2 456.547 1.490 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)CC1 ZINC001476183664 1069632442 /nfs/dbraw/zinc/63/24/42/1069632442.db2.gz DGPSQFMWFLWEKX-UHFFFAOYSA-N 1 2 456.609 1.884 20 0 JDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCOCC2)CC1 ZINC001501774406 1069634961 /nfs/dbraw/zinc/63/49/61/1069634961.db2.gz INCILUQPTYHDKE-UHFFFAOYSA-N 1 2 498.676 1.751 20 0 JDADLO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCOCC2)CC1 ZINC001501774406 1069634977 /nfs/dbraw/zinc/63/49/77/1069634977.db2.gz INCILUQPTYHDKE-UHFFFAOYSA-N 1 2 498.676 1.751 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCn2cnnn2)CC1 ZINC001501779878 1069663292 /nfs/dbraw/zinc/66/32/92/1069663292.db2.gz BHHBLPKAZGQOBB-UHFFFAOYSA-N 1 2 452.567 1.012 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCC(F)(F)F)CC1 ZINC001501781069 1069666834 /nfs/dbraw/zinc/66/68/34/1069666834.db2.gz VPQGWKUOOPPYLD-UHFFFAOYSA-N 1 2 499.513 1.753 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)C)CC1 ZINC001501781155 1069668362 /nfs/dbraw/zinc/66/83/62/1069668362.db2.gz YJOZLPIOZBAJRK-UHFFFAOYSA-N 1 2 495.426 1.114 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCCC2=O)CC1 ZINC001501783000 1069669301 /nfs/dbraw/zinc/66/93/01/1069669301.db2.gz FEZFBISSGJCUBL-UHFFFAOYSA-N 1 2 483.621 1.128 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001501783046 1069670984 /nfs/dbraw/zinc/67/09/84/1069670984.db2.gz GRJYRSLMUOZNPP-UHFFFAOYSA-N 1 2 498.632 1.809 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001501783334 1069671524 /nfs/dbraw/zinc/67/15/24/1069671524.db2.gz JJMBYEJEEBRDNU-UHFFFAOYSA-N 1 2 490.612 1.672 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCCc2cnn(C)n2)CC1 ZINC001501784177 1069680196 /nfs/dbraw/zinc/68/01/96/1069680196.db2.gz WKGRAXJPULWHGU-UHFFFAOYSA-N 1 2 483.596 1.836 20 0 JDADLO CC(C)n1nnnc1-c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1F ZINC001476323013 1069682718 /nfs/dbraw/zinc/68/27/18/1069682718.db2.gz RAKWZPQKAXIVQY-UHFFFAOYSA-N 1 2 453.544 1.691 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccnc(SC)c2)CC1 ZINC001501784230 1069679514 /nfs/dbraw/zinc/67/95/14/1069679514.db2.gz YIDAYTNYNCTGQQ-UHFFFAOYSA-N 1 2 481.630 1.891 20 0 JDADLO CCOC(=O)Cn1cccc(NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1=O ZINC001476360410 1069696936 /nfs/dbraw/zinc/69/69/36/1069696936.db2.gz FYKNWIXJTWGNRW-UHFFFAOYSA-N 1 2 455.515 1.636 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc(C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1 ZINC001501789195 1069699594 /nfs/dbraw/zinc/69/95/94/1069699594.db2.gz ITKJWWUAMFAACF-GOSISDBHSA-N 1 2 456.595 1.839 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccc(C(F)(F)F)n1 ZINC001476396682 1069706392 /nfs/dbraw/zinc/70/63/92/1069706392.db2.gz YVUUEUODFQUTFN-UHFFFAOYSA-N 1 2 458.466 1.769 20 0 JDADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001476422520 1069710618 /nfs/dbraw/zinc/71/06/18/1069710618.db2.gz ORRURHCPJDAFMD-DEOSSOPVSA-N 1 2 459.591 1.088 20 0 JDADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001476422520 1069710637 /nfs/dbraw/zinc/71/06/37/1069710637.db2.gz ORRURHCPJDAFMD-DEOSSOPVSA-N 1 2 459.591 1.088 20 0 JDADLO 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CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CO)CC2)c[nH+]1 ZINC001501831547 1069742251 /nfs/dbraw/zinc/74/22/51/1069742251.db2.gz XYLVGRPFLFHUNB-MRXNPFEDSA-N 1 2 465.624 1.387 20 0 JDADLO CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)c[nH+]1 ZINC001501839613 1069743771 /nfs/dbraw/zinc/74/37/71/1069743771.db2.gz UKUHXRXJNPFKHQ-UHFFFAOYSA-N 1 2 480.621 1.178 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)c[nH+]1 ZINC001501841034 1069746007 /nfs/dbraw/zinc/74/60/07/1069746007.db2.gz WATFJPIBVOAJHG-GOSISDBHSA-N 1 2 463.608 1.501 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(=O)NC)C2)c[nH+]1 ZINC001501841099 1069746392 /nfs/dbraw/zinc/74/63/92/1069746392.db2.gz XLHVZBQMIQFUNR-WZONZLPQSA-N 1 2 489.646 1.432 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](CNC(C)=O)C2)c[nH+]1 ZINC001501847507 1069746834 /nfs/dbraw/zinc/74/68/34/1069746834.db2.gz QHFGEPOUFMXCQC-WOJBJXKFSA-N 1 2 457.579 1.760 20 0 JDADLO CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001476732583 1069768192 /nfs/dbraw/zinc/76/81/92/1069768192.db2.gz GVWOMQKCOQGBEA-UHFFFAOYSA-N 1 2 450.565 1.936 20 0 JDADLO CCOC1CC(CNC(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)([NH+]2CCOCC2)C1 ZINC001476801785 1069777000 /nfs/dbraw/zinc/77/70/00/1069777000.db2.gz VBZTUHBCKGTKJR-PDGCRQIGSA-N 1 2 459.547 1.475 20 0 JDADLO CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001476832765 1069779225 /nfs/dbraw/zinc/77/92/25/1069779225.db2.gz MDCVRIRJRHDDJA-QGZVFWFLSA-N 1 2 453.609 1.027 20 0 JDADLO O=C(CNC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)NCC(F)F ZINC001477271499 1069809305 /nfs/dbraw/zinc/80/93/05/1069809305.db2.gz BUCKSNXPVYATIM-UHFFFAOYSA-N 1 2 450.465 1.728 20 0 JDADLO CCOC(=O)c1ccc(N2CC(NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)nc1 ZINC001477240890 1069806378 /nfs/dbraw/zinc/80/63/78/1069806378.db2.gz BUZIXAYLDKFWSV-NRFANRHFSA-N 1 2 453.543 1.647 20 0 JDADLO CCOC(=O)c1ccc(N2CC(NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)nc1 ZINC001477240890 1069806379 /nfs/dbraw/zinc/80/63/79/1069806379.db2.gz BUZIXAYLDKFWSV-NRFANRHFSA-N 1 2 453.543 1.647 20 0 JDADLO O=C(NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001477240893 1069806439 /nfs/dbraw/zinc/80/64/39/1069806439.db2.gz BYBQDZWNGOQTFU-MRXNPFEDSA-N 1 2 455.437 1.211 20 0 JDADLO O=C(NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001477240893 1069806441 /nfs/dbraw/zinc/80/64/41/1069806441.db2.gz BYBQDZWNGOQTFU-MRXNPFEDSA-N 1 2 455.437 1.211 20 0 JDADLO NC(=O)c1cc(OC2CCN(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)ccn1 ZINC001477242412 1069807013 /nfs/dbraw/zinc/80/70/13/1069807013.db2.gz VWNAMKYRQMIJDO-OAQYLSRUSA-N 1 2 453.543 1.634 20 0 JDADLO NC(=O)c1cc(OC2CCN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)ccn1 ZINC001477242412 1069807015 /nfs/dbraw/zinc/80/70/15/1069807015.db2.gz VWNAMKYRQMIJDO-OAQYLSRUSA-N 1 2 453.543 1.634 20 0 JDADLO COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC001477243205 1069807316 /nfs/dbraw/zinc/80/73/16/1069807316.db2.gz PVVXBVKVFXALFO-IBGZPJMESA-N 1 2 452.983 1.992 20 0 JDADLO Cc1cncc([C@@H]2CCCN2C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001477274876 1069809221 /nfs/dbraw/zinc/80/92/21/1069809221.db2.gz CITPMVPIBGCGGP-FQEVSTJZSA-N 1 2 458.588 1.784 20 0 JDADLO COCCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@H](C)C1 ZINC001477274935 1069809566 /nfs/dbraw/zinc/80/95/66/1069809566.db2.gz DTNROFWWCOJRJD-OALUTQOASA-N 1 2 453.609 1.380 20 0 JDADLO CC(C)O[C@@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC001477274898 1069809650 /nfs/dbraw/zinc/80/96/50/1069809650.db2.gz CWKSANFQTSUEOA-ZWKOTPCHSA-N 1 2 453.609 1.425 20 0 JDADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)Cc2ccccc2O1 ZINC001477275043 1069809707 /nfs/dbraw/zinc/80/97/07/1069809707.db2.gz IIWSJFJLQMMZTJ-GOSISDBHSA-N 1 2 459.572 1.526 20 0 JDADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)Cc2ccccc2O1 ZINC001477275044 1069809758 /nfs/dbraw/zinc/80/97/58/1069809758.db2.gz IIWSJFJLQMMZTJ-SFHVURJKSA-N 1 2 459.572 1.526 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1cccc(Cl)c1F ZINC001477275257 1069809922 /nfs/dbraw/zinc/80/99/22/1069809922.db2.gz PQHHVSYLGBLNBD-UHFFFAOYSA-N 1 2 455.943 1.825 20 0 JDADLO Cc1cnc([C@H](C)CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC001477275172 1069809980 /nfs/dbraw/zinc/80/99/80/1069809980.db2.gz MTHYCKRTVXQGBO-OAHLLOKOSA-N 1 2 452.606 1.401 20 0 JDADLO COc1ccc([C@@H]2C[C@H]2NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001477275097 1069810109 /nfs/dbraw/zinc/81/01/09/1069810109.db2.gz JZOKSPTWSIYQRN-VQTJNVASSA-N 1 2 459.572 1.397 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCC2(CCCC2)O1 ZINC001477275077 1069810130 /nfs/dbraw/zinc/81/01/30/1069810130.db2.gz JOYKRZLZWPDAOM-GOSISDBHSA-N 1 2 451.593 1.324 20 0 JDADLO 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O=C(NCCCN1CCCCCC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477479086 1069826209 /nfs/dbraw/zinc/82/62/09/1069826209.db2.gz AJAOXHRYMXJZRF-LJQANCHMSA-N 1 2 459.595 1.374 20 0 JDADLO O=C(NCCCN1CCCCCC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477479086 1069826211 /nfs/dbraw/zinc/82/62/11/1069826211.db2.gz AJAOXHRYMXJZRF-LJQANCHMSA-N 1 2 459.595 1.374 20 0 JDADLO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)C1)CC(F)(F)F ZINC001502150875 1069829507 /nfs/dbraw/zinc/82/95/07/1069829507.db2.gz HFQHIGOKCASKHM-SQNIBIBYSA-N 1 2 487.571 1.660 20 0 JDADLO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)C1)CC(F)(F)F ZINC001502150875 1069829515 /nfs/dbraw/zinc/82/95/15/1069829515.db2.gz HFQHIGOKCASKHM-SQNIBIBYSA-N 1 2 487.571 1.660 20 0 JDADLO C[N@@H+]1CCN(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001477543834 1069832198 /nfs/dbraw/zinc/83/21/98/1069832198.db2.gz YPVHOQWVQLQQOA-GOSISDBHSA-N 1 2 454.593 1.582 20 0 JDADLO 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Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)C2)c1 ZINC001478860517 1070060593 /nfs/dbraw/zinc/06/05/93/1070060593.db2.gz AWEKERVNBMTPCH-UXHICEINSA-N 1 2 459.568 1.730 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3cc(=O)n4ccccc4n3)C2)CC1 ZINC001478907708 1070066316 /nfs/dbraw/zinc/06/63/16/1070066316.db2.gz VOUVYDJDUUEEQU-GOSISDBHSA-N 1 2 456.547 1.531 20 0 JDADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001479134827 1070091724 /nfs/dbraw/zinc/09/17/24/1070091724.db2.gz JSYJUBUSXLVOMW-QFIPXVFZSA-N 1 2 456.584 1.464 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)C2)cc1 ZINC001479138027 1070092913 /nfs/dbraw/zinc/09/29/13/1070092913.db2.gz IMTRQSORFWLOHL-FQEVSTJZSA-N 1 2 458.584 1.611 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)C2)cc1 ZINC001479138027 1070092926 /nfs/dbraw/zinc/09/29/26/1070092926.db2.gz IMTRQSORFWLOHL-FQEVSTJZSA-N 1 2 458.584 1.611 20 0 JDADLO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3c[nH+]cn3C)CC2)cc1OCC ZINC001479150929 1070095318 /nfs/dbraw/zinc/09/53/18/1070095318.db2.gz ADQPVYIWHXRCDQ-UHFFFAOYSA-N 1 2 451.549 1.434 20 0 JDADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502315057 1070097007 /nfs/dbraw/zinc/09/70/07/1070097007.db2.gz GNCGHJXXCQZNQD-GOSISDBHSA-N 1 2 476.025 1.815 20 0 JDADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502315511 1070101986 /nfs/dbraw/zinc/10/19/86/1070101986.db2.gz PHTGLOYQFDCZDJ-FYYLOGMGSA-N 1 2 499.660 1.451 20 0 JDADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502315667 1070104161 /nfs/dbraw/zinc/10/41/61/1070104161.db2.gz SGSLYISRMIPKLO-NBGIEHNGSA-N 1 2 469.634 1.893 20 0 JDADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502315962 1070108031 /nfs/dbraw/zinc/10/80/31/1070108031.db2.gz XFIYRDKRILXIIZ-LJQANCHMSA-N 1 2 488.612 1.484 20 0 JDADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502315973 1070110658 /nfs/dbraw/zinc/11/06/58/1070110658.db2.gz XIQPEWBPZBNBCU-IFMALSPDSA-N 1 2 485.633 1.143 20 0 JDADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC001479391894 1070143153 /nfs/dbraw/zinc/14/31/53/1070143153.db2.gz KHHNYDKRQACPKO-INIZCTEOSA-N 1 2 453.337 1.080 20 0 JDADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC001479391894 1070143171 /nfs/dbraw/zinc/14/31/71/1070143171.db2.gz KHHNYDKRQACPKO-INIZCTEOSA-N 1 2 453.337 1.080 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001502328121 1070160200 /nfs/dbraw/zinc/16/02/00/1070160200.db2.gz ZKVQLLNYVAWMIF-RDJZCZTQSA-N 1 2 464.592 1.171 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001502328121 1070160215 /nfs/dbraw/zinc/16/02/15/1070160215.db2.gz ZKVQLLNYVAWMIF-RDJZCZTQSA-N 1 2 464.592 1.171 20 0 JDADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3nc(C)c(C)s3)C2)CC1 ZINC001502332280 1070171171 /nfs/dbraw/zinc/17/11/71/1070171171.db2.gz HEBLOJMLTSHZSD-IBGZPJMESA-N 1 2 474.679 1.949 20 0 JDADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cc(C(C)(C)C)no3)C2)CC1 ZINC001502332300 1070171325 /nfs/dbraw/zinc/17/13/25/1070171325.db2.gz HPTYXSJFWJUREJ-GOSISDBHSA-N 1 2 472.638 1.966 20 0 JDADLO C[C@H](NC(=O)N1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479594244 1070170412 /nfs/dbraw/zinc/17/04/12/1070170412.db2.gz FEZVHAROXHFNPI-FHWLQOOXSA-N 1 2 453.628 1.726 20 0 JDADLO C[C@H](NC(=O)N1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001479594244 1070170420 /nfs/dbraw/zinc/17/04/20/1070170420.db2.gz FEZVHAROXHFNPI-FHWLQOOXSA-N 1 2 453.628 1.726 20 0 JDADLO Cc1noc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001493119322 1070211542 /nfs/dbraw/zinc/21/15/42/1070211542.db2.gz LQXZVZYHWKUMFF-QGZVFWFLSA-N 1 2 451.597 1.282 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCC(F)(F)F)CC2)on1 ZINC001493153343 1070218015 /nfs/dbraw/zinc/21/80/15/1070218015.db2.gz LCCORLDRHNXKER-CQSZACIVSA-N 1 2 479.529 1.849 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CCCC(C)C)CC2)on1 ZINC001493156778 1070219652 /nfs/dbraw/zinc/21/96/52/1070219652.db2.gz KGSMRMSQMGCIRC-FQEVSTJZSA-N 1 2 495.650 1.666 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCCOC4)n3CCS(=O)(=O)NC(C)C)CC2)on1 ZINC001493157166 1070220122 /nfs/dbraw/zinc/22/01/22/1070220122.db2.gz PALUFDGMCUENGA-SFHVURJKSA-N 1 2 481.623 1.119 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(COc4ccccc4F)n3CC(=O)N(C)C)CC2)on1 ZINC001493156278 1070220706 /nfs/dbraw/zinc/22/07/06/1070220706.db2.gz IQDUKQQQGXSHLW-UHFFFAOYSA-N 1 2 457.510 1.703 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(Cn4nc(C)cc4C)n3CCC(=O)NC(C)C)CC2)on1 ZINC001493158125 1070221643 /nfs/dbraw/zinc/22/16/43/1070221643.db2.gz VQJSXUBEGZICRR-UHFFFAOYSA-N 1 2 469.594 1.673 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(Cc4ccncc4)n3CC(=O)NCC(F)(F)F)CC2)on1 ZINC001493158271 1070222279 /nfs/dbraw/zinc/22/22/79/1070222279.db2.gz WJDVVSAJBOMZKK-UHFFFAOYSA-N 1 2 478.479 1.561 20 0 JDADLO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001493168063 1070227751 /nfs/dbraw/zinc/22/77/51/1070227751.db2.gz AHYWLNTZUWAFQV-VQIMIIECSA-N 1 2 486.598 1.911 20 0 JDADLO C[C@@H]1C[C@H](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001493280933 1070277305 /nfs/dbraw/zinc/27/73/05/1070277305.db2.gz HHOKUVAYXWDRAB-RTBURBONSA-N 1 2 457.579 1.899 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001502376461 1070321952 /nfs/dbraw/zinc/32/19/52/1070321952.db2.gz ZEBJOJZCECJVIW-UHFFFAOYSA-N 1 2 497.644 1.860 20 0 JDADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCSCCCO)CC1 ZINC001493646612 1070322602 /nfs/dbraw/zinc/32/26/02/1070322602.db2.gz CKZHJBLUDZRCJE-FQEVSTJZSA-N 1 2 487.674 1.979 20 0 JDADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCC(F)F)CC1 ZINC001493649013 1070324190 /nfs/dbraw/zinc/32/41/90/1070324190.db2.gz LNYLHGSTJGCPAN-KRWDZBQOSA-N 1 2 492.575 1.188 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001502379660 1070324606 /nfs/dbraw/zinc/32/46/06/1070324606.db2.gz NSZUCTCNEGSMTG-IBGZPJMESA-N 1 2 499.664 1.364 20 0 JDADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001493650122 1070324644 /nfs/dbraw/zinc/32/46/44/1070324644.db2.gz NUJBEEBEUSROTL-LJQANCHMSA-N 1 2 499.664 1.506 20 0 JDADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCCCCO)CC1 ZINC001493650878 1070325048 /nfs/dbraw/zinc/32/50/48/1070325048.db2.gz RDUHTXCFYCQQSV-FQEVSTJZSA-N 1 2 470.622 1.811 20 0 JDADLO CCNC(=O)C1(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001502393360 1070337765 /nfs/dbraw/zinc/33/77/65/1070337765.db2.gz IAFUBRKZHWGOIM-UHFFFAOYSA-N 1 2 497.648 1.928 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001493724576 1070341604 /nfs/dbraw/zinc/34/16/04/1070341604.db2.gz QHXOQAGLQDESJN-QZTJIDSGSA-N 1 2 477.635 1.795 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001493724573 1070341753 /nfs/dbraw/zinc/34/17/53/1070341753.db2.gz QHXOQAGLQDESJN-MSOLQXFVSA-N 1 2 477.635 1.795 20 0 JDADLO CCNC(=O)C1(Cn2c(CC)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)CCC1 ZINC001502402269 1070346292 /nfs/dbraw/zinc/34/62/92/1070346292.db2.gz DTACLLQIAUJLCS-HXUWFJFHSA-N 1 2 461.655 1.378 20 0 JDADLO CCNC(=O)c1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001502416248 1070354608 /nfs/dbraw/zinc/35/46/08/1070354608.db2.gz LCPSDZAASWNRTO-UHFFFAOYSA-N 1 2 480.617 1.706 20 0 JDADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001493855119 1070362825 /nfs/dbraw/zinc/36/28/25/1070362825.db2.gz UZQXFGRDQIMIQN-QYZOEREBSA-N 1 2 491.637 1.643 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001502422660 1070364473 /nfs/dbraw/zinc/36/44/73/1070364473.db2.gz GNDWKVPBPVIHIU-SFHVURJKSA-N 1 2 470.626 1.160 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@H]2C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493873018 1070367346 /nfs/dbraw/zinc/36/73/46/1070367346.db2.gz IZHMVGHDDDGTPH-MSOLQXFVSA-N 1 2 477.635 1.793 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC(N)=O)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493873654 1070368399 /nfs/dbraw/zinc/36/83/99/1070368399.db2.gz OLIGPYWTLLXEJJ-DLBZAZTESA-N 1 2 492.650 1.268 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001502428764 1070378220 /nfs/dbraw/zinc/37/82/20/1070378220.db2.gz JYKGMGGGPZFCNF-UHFFFAOYSA-N 1 2 478.605 1.283 20 0 JDADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001494114749 1070401142 /nfs/dbraw/zinc/40/11/42/1070401142.db2.gz PSQHXIIFTFJBRN-XYPHTWIQSA-N 1 2 461.517 1.477 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502435789 1070398300 /nfs/dbraw/zinc/39/83/00/1070398300.db2.gz JYDLKNYQYQGULH-JOCHJYFZSA-N 1 2 499.660 1.453 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502435789 1070398317 /nfs/dbraw/zinc/39/83/17/1070398317.db2.gz JYDLKNYQYQGULH-JOCHJYFZSA-N 1 2 499.660 1.453 20 0 JDADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001494114745 1070399884 /nfs/dbraw/zinc/39/98/84/1070399884.db2.gz PSQHXIIFTFJBRN-COXVUDFISA-N 1 2 461.517 1.477 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001502436497 1070403504 /nfs/dbraw/zinc/40/35/04/1070403504.db2.gz WIFYDKOYWUVHGT-UHFFFAOYSA-N 1 2 484.649 1.896 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494127301 1070414856 /nfs/dbraw/zinc/41/48/56/1070414856.db2.gz HKYWCWJVZRRWJB-JKSUJKDBSA-N 1 2 463.608 1.403 20 0 JDADLO C[C@H]1CN(c2ccc(Cn3c(CC(C)(C)C)nnc3N(C)CC(=O)N3CCOCC3)c[nH+]2)CCO1 ZINC001494130267 1070419515 /nfs/dbraw/zinc/41/95/15/1070419515.db2.gz SYRSMGBIJHECFZ-IBGZPJMESA-N 1 2 485.633 1.830 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494130655 1070421536 /nfs/dbraw/zinc/42/15/36/1070421536.db2.gz VCRIZDUDVCBAGN-ZACQAIPSSA-N 1 2 463.608 1.545 20 0 JDADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494134944 1070422402 /nfs/dbraw/zinc/42/24/02/1070422402.db2.gz BTHPZPOHKAAZJB-IAGOWNOFSA-N 1 2 462.620 1.768 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494136200 1070426496 /nfs/dbraw/zinc/42/64/96/1070426496.db2.gz KDQSAYKREQBJAL-QZTJIDSGSA-N 1 2 464.574 1.632 20 0 JDADLO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001494140344 1070435201 /nfs/dbraw/zinc/43/52/01/1070435201.db2.gz MCBDMDVWZYQGEG-JKSUJKDBSA-N 1 2 474.528 1.781 20 0 JDADLO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001494140344 1070435218 /nfs/dbraw/zinc/43/52/18/1070435218.db2.gz MCBDMDVWZYQGEG-JKSUJKDBSA-N 1 2 474.528 1.781 20 0 JDADLO Cc1ccc(OCC(=O)N2CCN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)CC2)cc1 ZINC001546278314 1070453955 /nfs/dbraw/zinc/45/39/55/1070453955.db2.gz CPRMICWWIAZMKY-OAQYLSRUSA-N 1 2 455.559 1.541 20 0 JDADLO Cc1ccc(OCC(=O)N2CCN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)CC2)cc1 ZINC001546278314 1070453980 /nfs/dbraw/zinc/45/39/80/1070453980.db2.gz CPRMICWWIAZMKY-OAQYLSRUSA-N 1 2 455.559 1.541 20 0 JDADLO Cc1ccc(OCC(=O)N2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)CC2)cc1 ZINC001546278313 1070454155 /nfs/dbraw/zinc/45/41/55/1070454155.db2.gz CPRMICWWIAZMKY-NRFANRHFSA-N 1 2 455.559 1.541 20 0 JDADLO Cc1ccc(OCC(=O)N2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)CC2)cc1 ZINC001546278313 1070454183 /nfs/dbraw/zinc/45/41/83/1070454183.db2.gz CPRMICWWIAZMKY-NRFANRHFSA-N 1 2 455.559 1.541 20 0 JDADLO CCNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001502454293 1070456140 /nfs/dbraw/zinc/45/61/40/1070456140.db2.gz DNPFPYLRMHBFJG-SJORKVTESA-N 1 2 495.675 1.396 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001494187719 1070457713 /nfs/dbraw/zinc/45/77/13/1070457713.db2.gz BPZWXVZPNFVRHP-QWFCFKBJSA-N 1 2 494.687 1.904 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(COCC)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001502463852 1070501175 /nfs/dbraw/zinc/50/11/75/1070501175.db2.gz XKVZMWLXEIKEBT-OAQYLSRUSA-N 1 2 471.606 1.567 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(COCC)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001502463852 1070501216 /nfs/dbraw/zinc/50/12/16/1070501216.db2.gz XKVZMWLXEIKEBT-OAQYLSRUSA-N 1 2 471.606 1.567 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C)n2C[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC001502466820 1070515759 /nfs/dbraw/zinc/51/57/59/1070515759.db2.gz XTDDWOUHWUXBFY-SJORKVTESA-N 1 2 454.622 1.240 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001502474861 1070546264 /nfs/dbraw/zinc/54/62/64/1070546264.db2.gz OCRLHSMPEQMLNA-GOSISDBHSA-N 1 2 485.618 1.543 20 0 JDADLO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)CCCO1 ZINC001494362865 1070568390 /nfs/dbraw/zinc/56/83/90/1070568390.db2.gz INNHSTIXRFOILF-ZWKOTPCHSA-N 1 2 479.607 1.123 20 0 JDADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)CCCO1 ZINC001494362858 1070568843 /nfs/dbraw/zinc/56/88/43/1070568843.db2.gz INNHSTIXRFOILF-MSOLQXFVSA-N 1 2 479.607 1.123 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001502480878 1070577246 /nfs/dbraw/zinc/57/72/46/1070577246.db2.gz XVMLSTJQFUZXNT-SJLPKXTDSA-N 1 2 468.649 1.169 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001502480878 1070577267 /nfs/dbraw/zinc/57/72/67/1070577267.db2.gz XVMLSTJQFUZXNT-SJLPKXTDSA-N 1 2 468.649 1.169 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001502480869 1070577650 /nfs/dbraw/zinc/57/76/50/1070577650.db2.gz XTBIZTBHFMPFDP-TZIWHRDSSA-N 1 2 476.647 1.416 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001502480869 1070577662 /nfs/dbraw/zinc/57/76/62/1070577662.db2.gz XTBIZTBHFMPFDP-TZIWHRDSSA-N 1 2 476.647 1.416 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COCC)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001502482107 1070581017 /nfs/dbraw/zinc/58/10/17/1070581017.db2.gz CSNHRHWBCFVKIA-LJQANCHMSA-N 1 2 477.635 1.766 20 0 JDADLO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001494464303 1070591993 /nfs/dbraw/zinc/59/19/93/1070591993.db2.gz IKPFYNJQCWVJSU-QYZOEREBSA-N 1 2 491.637 1.471 20 0 JDADLO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001494464303 1070592012 /nfs/dbraw/zinc/59/20/12/1070592012.db2.gz IKPFYNJQCWVJSU-QYZOEREBSA-N 1 2 491.637 1.471 20 0 JDADLO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001494464300 1070592156 /nfs/dbraw/zinc/59/21/56/1070592156.db2.gz IKPFYNJQCWVJSU-CEXWTWQISA-N 1 2 491.637 1.471 20 0 JDADLO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001494464300 1070592181 /nfs/dbraw/zinc/59/21/81/1070592181.db2.gz IKPFYNJQCWVJSU-CEXWTWQISA-N 1 2 491.637 1.471 20 0 JDADLO CCOC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502507367 1070627722 /nfs/dbraw/zinc/62/77/22/1070627722.db2.gz OQILCIUEHPRDSH-SFHVURJKSA-N 1 2 476.553 1.995 20 0 JDADLO CCOC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502507367 1070627727 /nfs/dbraw/zinc/62/77/27/1070627727.db2.gz OQILCIUEHPRDSH-SFHVURJKSA-N 1 2 476.553 1.995 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1C(C)(C)C ZINC001494601520 1070649980 /nfs/dbraw/zinc/64/99/80/1070649980.db2.gz GPJHIXFFKGBCSA-SFHVURJKSA-N 1 2 455.607 1.722 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1C(C)(C)C ZINC001494601520 1070649983 /nfs/dbraw/zinc/64/99/83/1070649983.db2.gz GPJHIXFFKGBCSA-SFHVURJKSA-N 1 2 455.607 1.722 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001494601254 1070649991 /nfs/dbraw/zinc/64/99/91/1070649991.db2.gz CFUIGPGHDZNJOO-INIZCTEOSA-N 1 2 493.406 1.619 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001494601254 1070649996 /nfs/dbraw/zinc/64/99/96/1070649996.db2.gz CFUIGPGHDZNJOO-INIZCTEOSA-N 1 2 493.406 1.619 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 ZINC001494600978 1070650012 /nfs/dbraw/zinc/65/00/12/1070650012.db2.gz BJOWHQHYZASOJJ-MSOLQXFVSA-N 1 2 477.610 1.397 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 ZINC001494600978 1070650015 /nfs/dbraw/zinc/65/00/15/1070650015.db2.gz BJOWHQHYZASOJJ-MSOLQXFVSA-N 1 2 477.610 1.397 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001494601624 1070650793 /nfs/dbraw/zinc/65/07/93/1070650793.db2.gz IFBSCVAFVDWZNA-SQNIBIBYSA-N 1 2 479.626 1.771 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001494601624 1070650800 /nfs/dbraw/zinc/65/08/00/1070650800.db2.gz IFBSCVAFVDWZNA-SQNIBIBYSA-N 1 2 479.626 1.771 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001494601677 1070651136 /nfs/dbraw/zinc/65/11/36/1070651136.db2.gz IZLRYKUEQPHONV-RTBURBONSA-N 1 2 491.637 1.567 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001494601677 1070651146 /nfs/dbraw/zinc/65/11/46/1070651146.db2.gz IZLRYKUEQPHONV-RTBURBONSA-N 1 2 491.637 1.567 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001494601904 1070652093 /nfs/dbraw/zinc/65/20/93/1070652093.db2.gz KCTDQXFKBJZCEF-ZSYWTGECSA-N 1 2 491.637 1.436 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001494601904 1070652102 /nfs/dbraw/zinc/65/21/02/1070652102.db2.gz KCTDQXFKBJZCEF-ZSYWTGECSA-N 1 2 491.637 1.436 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001494602636 1070653088 /nfs/dbraw/zinc/65/30/88/1070653088.db2.gz OPDRLHDWQWKVNY-MSOLQXFVSA-N 1 2 477.610 1.225 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001494602636 1070653090 /nfs/dbraw/zinc/65/30/90/1070653090.db2.gz OPDRLHDWQWKVNY-MSOLQXFVSA-N 1 2 477.610 1.225 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494602587 1070653102 /nfs/dbraw/zinc/65/31/02/1070653102.db2.gz FXVMGWVAUSOJKR-KRWDZBQOSA-N 1 2 495.550 1.880 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494602587 1070653107 /nfs/dbraw/zinc/65/31/07/1070653107.db2.gz FXVMGWVAUSOJKR-KRWDZBQOSA-N 1 2 495.550 1.880 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001494602268 1070653114 /nfs/dbraw/zinc/65/31/14/1070653114.db2.gz DRMPQMHBRZMVSH-MOPGFXCFSA-N 1 2 470.684 1.695 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001494602268 1070653118 /nfs/dbraw/zinc/65/31/18/1070653118.db2.gz DRMPQMHBRZMVSH-MOPGFXCFSA-N 1 2 470.684 1.695 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001494602309 1070653208 /nfs/dbraw/zinc/65/32/08/1070653208.db2.gz FFJUNZRKGANRDP-MJGOQNOKSA-N 1 2 491.637 1.691 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001494602309 1070653215 /nfs/dbraw/zinc/65/32/15/1070653215.db2.gz FFJUNZRKGANRDP-MJGOQNOKSA-N 1 2 491.637 1.691 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001494603655 1070656042 /nfs/dbraw/zinc/65/60/42/1070656042.db2.gz ULBNWCJJNURDDC-PMACEKPBSA-N 1 2 461.655 1.429 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001494603655 1070656054 /nfs/dbraw/zinc/65/60/54/1070656054.db2.gz ULBNWCJJNURDDC-PMACEKPBSA-N 1 2 461.655 1.429 20 0 JDADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001494602891 1070654085 /nfs/dbraw/zinc/65/40/85/1070654085.db2.gz PONMLULEKCFBLM-SFTDATJTSA-N 1 2 497.644 1.777 20 0 JDADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC[C@@H]1C ZINC001494602891 1070654096 /nfs/dbraw/zinc/65/40/96/1070654096.db2.gz PONMLULEKCFBLM-SFTDATJTSA-N 1 2 497.644 1.777 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001502533159 1070654525 /nfs/dbraw/zinc/65/45/25/1070654525.db2.gz FVEGTQJYGFOACC-HXUWFJFHSA-N 1 2 489.646 1.809 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494602899 1070654798 /nfs/dbraw/zinc/65/47/98/1070654798.db2.gz PQMFASPPPCFUAD-HZPDHXFCSA-N 1 2 493.406 1.652 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494602899 1070654811 /nfs/dbraw/zinc/65/48/11/1070654811.db2.gz PQMFASPPPCFUAD-HZPDHXFCSA-N 1 2 493.406 1.652 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001494603492 1070655628 /nfs/dbraw/zinc/65/56/28/1070655628.db2.gz KAVVYINHLZGUAG-GOSISDBHSA-N 1 2 494.637 1.589 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001494603492 1070655634 /nfs/dbraw/zinc/65/56/34/1070655634.db2.gz KAVVYINHLZGUAG-GOSISDBHSA-N 1 2 494.637 1.589 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001494603656 1070656348 /nfs/dbraw/zinc/65/63/48/1070656348.db2.gz ULBNWCJJNURDDC-UXHICEINSA-N 1 2 461.655 1.429 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001494603656 1070656360 /nfs/dbraw/zinc/65/63/60/1070656360.db2.gz ULBNWCJJNURDDC-UXHICEINSA-N 1 2 461.655 1.429 20 0 JDADLO C[C@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001494642794 1070670072 /nfs/dbraw/zinc/67/00/72/1070670072.db2.gz IHXGWSWRKQKPEA-QRWLVFNGSA-N 1 2 483.411 1.354 20 0 JDADLO CCO[C@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCOC1 ZINC001502617968 1070692563 /nfs/dbraw/zinc/69/25/63/1070692563.db2.gz DCFRZRWBZSEZHF-QZTZHPFYSA-N 1 2 487.605 1.299 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502620995 1070698555 /nfs/dbraw/zinc/69/85/55/1070698555.db2.gz FHMHXMNQRAOKKA-UTKZUKDTSA-N 1 2 464.592 1.063 20 0 JDADLO CCO[C@]1(c2nnc(N(C)[C@@H]3CCSC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502625622 1070710950 /nfs/dbraw/zinc/71/09/50/1070710950.db2.gz YBUCJHODXUNVIS-WIYYLYMNSA-N 1 2 452.625 1.036 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CCC(=O)NC)n2Cc2ccc(N3CCCC3)[nH+]c2)CCOC1 ZINC001502649455 1070722297 /nfs/dbraw/zinc/72/22/97/1070722297.db2.gz MOTDGGYOOWIFHL-HSZRJFAPSA-N 1 2 457.579 1.546 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CCC(=O)NC(C)(C)C)CCOC1 ZINC001502654139 1070725469 /nfs/dbraw/zinc/72/54/69/1070725469.db2.gz BLFDDURJWBAEPN-JOCHJYFZSA-N 1 2 452.600 1.003 20 0 JDADLO CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001494733308 1070730658 /nfs/dbraw/zinc/73/06/58/1070730658.db2.gz BIKILYYNQGNZCI-MRXNPFEDSA-N 1 2 453.613 1.943 20 0 JDADLO CCO[C@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502662929 1070740442 /nfs/dbraw/zinc/74/04/42/1070740442.db2.gz WYWHHZXTPDMTJP-FDDCHVKYSA-N 1 2 464.611 1.098 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001502661156 1070736718 /nfs/dbraw/zinc/73/67/18/1070736718.db2.gz ZZCUIZMTURCDLA-UUOWRZLLSA-N 1 2 471.606 1.887 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502678935 1070765654 /nfs/dbraw/zinc/76/56/54/1070765654.db2.gz VDHJORXFIKHSPY-QHCPKHFHSA-N 1 2 464.611 1.133 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502678935 1070765669 /nfs/dbraw/zinc/76/56/69/1070765669.db2.gz VDHJORXFIKHSPY-QHCPKHFHSA-N 1 2 464.611 1.133 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(CC(=O)NC)CC3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001502679138 1070765777 /nfs/dbraw/zinc/76/57/77/1070765777.db2.gz YRWGKHDNTZBGRS-DEOSSOPVSA-N 1 2 478.638 1.394 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001494898597 1070767305 /nfs/dbraw/zinc/76/73/05/1070767305.db2.gz RKLFQHWTAJPGNU-RLSLOFABSA-N 1 2 486.665 1.999 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001494898599 1070767576 /nfs/dbraw/zinc/76/75/76/1070767576.db2.gz RKLFQHWTAJPGNU-ZYLNGJIFSA-N 1 2 486.665 1.999 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2CC[N@H+]2CC=CCC2)CCOC1 ZINC001502684171 1070784610 /nfs/dbraw/zinc/78/46/10/1070784610.db2.gz APUOOAFIVHPJPZ-QFIPXVFZSA-N 1 2 467.636 1.596 20 0 JDADLO CC[C@H](C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001494957587 1070782623 /nfs/dbraw/zinc/78/26/23/1070782623.db2.gz JBTIGRFAXCGGON-BZSNNMDCSA-N 1 2 465.624 1.671 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001502684171 1070784632 /nfs/dbraw/zinc/78/46/32/1070784632.db2.gz APUOOAFIVHPJPZ-QFIPXVFZSA-N 1 2 467.636 1.596 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCCNc2cccc[nH+]2)CCOC1 ZINC001502685273 1070792053 /nfs/dbraw/zinc/79/20/53/1070792053.db2.gz UEVQHQWPRFUXNE-QFIPXVFZSA-N 1 2 478.619 1.841 20 0 JDADLO CO[C@@]1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC[NH+]2CCOCC2)CCOC1 ZINC001504042894 1070801662 /nfs/dbraw/zinc/80/16/62/1070801662.db2.gz RHRQNXWWJJTQSW-XMMPIXPASA-N 1 2 472.590 1.721 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@H](C(C)C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502689304 1070801105 /nfs/dbraw/zinc/80/11/05/1070801105.db2.gz XVWZAZYMYQNTFR-URXFXBBRSA-N 1 2 462.639 1.967 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001502689491 1070801132 /nfs/dbraw/zinc/80/11/32/1070801132.db2.gz ZMOQGMFWFVFSPN-CYFREDJKSA-N 1 2 471.606 1.921 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@@H](C(C)C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502689303 1070801159 /nfs/dbraw/zinc/80/11/59/1070801159.db2.gz XVWZAZYMYQNTFR-QPPBQGQZSA-N 1 2 462.639 1.967 20 0 JDADLO CC[C@@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495068291 1070797954 /nfs/dbraw/zinc/79/79/54/1070797954.db2.gz YVIUPSZGLOHUGI-TZIWHRDSSA-N 1 2 469.638 1.851 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502688600 1070800091 /nfs/dbraw/zinc/80/00/91/1070800091.db2.gz OBKHWYVCKLFONU-WZONZLPQSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502688600 1070800092 /nfs/dbraw/zinc/80/00/92/1070800092.db2.gz OBKHWYVCKLFONU-WZONZLPQSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001502689494 1070801609 /nfs/dbraw/zinc/80/16/09/1070801609.db2.gz ZMOQGMFWFVFSPN-YADARESESA-N 1 2 471.606 1.921 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502694350 1070807774 /nfs/dbraw/zinc/80/77/74/1070807774.db2.gz ZXPQCBPRZQXUSH-YOSAUDMPSA-N 1 2 478.638 1.392 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502694350 1070807778 /nfs/dbraw/zinc/80/77/78/1070807778.db2.gz ZXPQCBPRZQXUSH-YOSAUDMPSA-N 1 2 478.638 1.392 20 0 JDADLO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001495588252 1070808379 /nfs/dbraw/zinc/80/83/79/1070808379.db2.gz MVGXECYPCVWMKE-FHWLQOOXSA-N 1 2 454.641 1.517 20 0 JDADLO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001495588255 1070808424 /nfs/dbraw/zinc/80/84/24/1070808424.db2.gz MVGXECYPCVWMKE-GBESFXJTSA-N 1 2 454.641 1.517 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502695334 1070808552 /nfs/dbraw/zinc/80/85/52/1070808552.db2.gz MFFIHOODBKDQPY-OFVILXPXSA-N 1 2 492.665 1.878 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502695335 1070808650 /nfs/dbraw/zinc/80/86/50/1070808650.db2.gz MFFIHOODBKDQPY-PXDATVDWSA-N 1 2 492.665 1.878 20 0 JDADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCNC(=O)c1ccco1 ZINC001495717610 1070817492 /nfs/dbraw/zinc/81/74/92/1070817492.db2.gz KGEVMBWOHFYWAM-OALUTQOASA-N 1 2 471.606 1.948 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCCC[C@H](SC)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502704973 1070811439 /nfs/dbraw/zinc/81/14/39/1070811439.db2.gz NANXWZRTYCNNEY-REWPJTCUSA-N 1 2 480.679 1.816 20 0 JDADLO COc1cc(C)c(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC001504062587 1070813532 /nfs/dbraw/zinc/81/35/32/1070813532.db2.gz WOZVVCITAHNIGW-PKOBYXMFSA-N 1 2 472.590 1.912 20 0 JDADLO COc1cc(C)c(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)cc1OC ZINC001504062587 1070813533 /nfs/dbraw/zinc/81/35/33/1070813533.db2.gz WOZVVCITAHNIGW-PKOBYXMFSA-N 1 2 472.590 1.912 20 0 JDADLO COc1cc(C)c(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)cc1OC ZINC001504062585 1070813603 /nfs/dbraw/zinc/81/36/03/1070813603.db2.gz WOZVVCITAHNIGW-IEBWSBKVSA-N 1 2 472.590 1.912 20 0 JDADLO COc1cc(C)c(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)cc1OC ZINC001504062585 1070813604 /nfs/dbraw/zinc/81/36/04/1070813604.db2.gz WOZVVCITAHNIGW-IEBWSBKVSA-N 1 2 472.590 1.912 20 0 JDADLO COc1cc(C)c(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)cc1OC ZINC001504062586 1070813641 /nfs/dbraw/zinc/81/36/41/1070813641.db2.gz WOZVVCITAHNIGW-MJGOQNOKSA-N 1 2 472.590 1.912 20 0 JDADLO COc1cc(C)c(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)cc1OC ZINC001504062586 1070813642 /nfs/dbraw/zinc/81/36/42/1070813642.db2.gz WOZVVCITAHNIGW-MJGOQNOKSA-N 1 2 472.590 1.912 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495691001 1070814551 /nfs/dbraw/zinc/81/45/51/1070814551.db2.gz QXALMVWSGNEUDC-HXUWFJFHSA-N 1 2 474.654 1.684 20 0 JDADLO COc1cc(C)nc(N2CCN(c3nnc(CC(C)C)n3CC[NH+]3CCN(C(C)=O)CC3)CC2)n1 ZINC001504066270 1070815736 /nfs/dbraw/zinc/81/57/36/1070815736.db2.gz MGXACUKERJOCCP-UHFFFAOYSA-N 1 2 485.637 1.074 20 0 JDADLO COc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(O)CCC2)cc(OC)c1OC ZINC001504069488 1070816830 /nfs/dbraw/zinc/81/68/30/1070816830.db2.gz JKVJOHANHUJFPL-UHFFFAOYSA-N 1 2 461.563 1.654 20 0 JDADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cnn(CCOC)c1 ZINC001495711735 1070817283 /nfs/dbraw/zinc/81/72/83/1070817283.db2.gz VDRAINBUSMEPQW-WOJBJXKFSA-N 1 2 472.638 1.816 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001502719299 1070827570 /nfs/dbraw/zinc/82/75/70/1070827570.db2.gz XMUUTQYDKYHBMF-HSZRJFAPSA-N 1 2 457.579 1.498 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(CS(C)(=O)=O)CC2)CCOC1 ZINC001502713807 1070820507 /nfs/dbraw/zinc/82/05/07/1070820507.db2.gz BTVKQXBJGIIHMT-QFIPXVFZSA-N 1 2 469.652 1.676 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCC(=O)N[C@H](C)CC)CCOC1 ZINC001502719357 1070827789 /nfs/dbraw/zinc/82/77/89/1070827789.db2.gz YJFCCLAVSOAASN-NTKDMRAZSA-N 1 2 471.606 1.957 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001495803954 1070822355 /nfs/dbraw/zinc/82/23/55/1070822355.db2.gz MRWZLLUVKQXNCR-QUCCMNQESA-N 1 2 472.638 1.759 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCNC(=O)C(C)C)CCOC1 ZINC001502719486 1070827900 /nfs/dbraw/zinc/82/79/00/1070827900.db2.gz YOKJKCQMGJMJII-QHCPKHFHSA-N 1 2 472.594 1.127 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@@H](C)OC)CCOC1 ZINC001502714974 1070823348 /nfs/dbraw/zinc/82/33/48/1070823348.db2.gz SMUAZMNAAJSIMW-SELNLUPBSA-N 1 2 464.611 1.098 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC001502721635 1070829633 /nfs/dbraw/zinc/82/96/33/1070829633.db2.gz IENZJWREWHMUQE-GHTZIAJQSA-N 1 2 455.625 1.143 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC001502721644 1070829852 /nfs/dbraw/zinc/82/98/52/1070829852.db2.gz IENZJWREWHMUQE-WIYYLYMNSA-N 1 2 455.625 1.143 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 ZINC001502722653 1070830973 /nfs/dbraw/zinc/83/09/73/1070830973.db2.gz NKCJYFINLLIDFT-SIKLNZKXSA-N 1 2 469.652 1.676 20 0 JDADLO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001504106888 1070835101 /nfs/dbraw/zinc/83/51/01/1070835101.db2.gz HKYLVXOXPDXAGU-OAQYLSRUSA-N 1 2 484.022 1.687 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001496209851 1070835603 /nfs/dbraw/zinc/83/56/03/1070835603.db2.gz FEPYYMSUKWBTHV-QGZVFWFLSA-N 1 2 468.606 1.843 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001496219189 1070837212 /nfs/dbraw/zinc/83/72/12/1070837212.db2.gz AOEJDTLJCUOEHC-CVEARBPZSA-N 1 2 492.650 1.217 20 0 JDADLO CCO[C@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCOC1 ZINC001502729075 1070839353 /nfs/dbraw/zinc/83/93/53/1070839353.db2.gz KZSTYPVIZNBBPK-FDDCHVKYSA-N 1 2 478.544 1.838 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502729978 1070841069 /nfs/dbraw/zinc/84/10/69/1070841069.db2.gz UWARRHNUECCZBC-GPMSIDNRSA-N 1 2 463.501 1.418 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001496273855 1070843953 /nfs/dbraw/zinc/84/39/53/1070843953.db2.gz XGUKJBUTDVOBBJ-ZWKOTPCHSA-N 1 2 454.641 1.263 20 0 JDADLO COc1cc2c(c(OC)c1OC)CCN(c1nnc(C)n1CC[NH+]1CCN(C(C)=O)CC1)CC2 ZINC001504137335 1070852691 /nfs/dbraw/zinc/85/26/91/1070852691.db2.gz CYUKKWCOUVSEGY-UHFFFAOYSA-N 1 2 472.590 1.382 20 0 JDADLO CCC(CC)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001496510776 1070853650 /nfs/dbraw/zinc/85/36/50/1070853650.db2.gz ZEAKKZYYAHBFCD-QGZVFWFLSA-N 1 2 465.624 1.815 20 0 JDADLO CCOc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2(O)CCO[C@@H]2C)cc1OC ZINC001502792375 1070857925 /nfs/dbraw/zinc/85/79/25/1070857925.db2.gz BAJCERVCFKZIOC-KOSHJBKYSA-N 1 2 475.590 1.661 20 0 JDADLO COc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC2([NH+]3CCOCC3)CC2)cc1OC ZINC001504154910 1070858038 /nfs/dbraw/zinc/85/80/38/1070858038.db2.gz FMDOCRIDIGLFPK-INIZCTEOSA-N 1 2 458.563 1.527 20 0 JDADLO CCOc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2(C)CN(C)C2=O)cc1OC ZINC001502793131 1070858158 /nfs/dbraw/zinc/85/81/58/1070858158.db2.gz YXXGAKCYDTZUFA-XMMPIXPASA-N 1 2 472.590 1.599 20 0 JDADLO CCOc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)cc1OC ZINC001502833735 1070865321 /nfs/dbraw/zinc/86/53/21/1070865321.db2.gz PEMBIIBICJETRM-HKUYNNGSSA-N 1 2 472.590 1.994 20 0 JDADLO CCOc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)cc1OC ZINC001502833738 1070865343 /nfs/dbraw/zinc/86/53/43/1070865343.db2.gz PEMBIIBICJETRM-PKOBYXMFSA-N 1 2 472.590 1.994 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)[NH+]1CCOCC1)CC2 ZINC001502872617 1070871801 /nfs/dbraw/zinc/87/18/01/1070871801.db2.gz MBWREGPSYKQUQG-ZWKOTPCHSA-N 1 2 492.646 1.570 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)[NH+]1CCOCC1)CC2 ZINC001502872614 1070871865 /nfs/dbraw/zinc/87/18/65/1070871865.db2.gz MBWREGPSYKQUQG-MSOLQXFVSA-N 1 2 492.646 1.570 20 0 JDADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001502857384 1070868924 /nfs/dbraw/zinc/86/89/24/1070868924.db2.gz SEJCSODRAGNRNE-AZUAARDMSA-N 1 2 499.616 1.293 20 0 JDADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001502857387 1070868965 /nfs/dbraw/zinc/86/89/65/1070868965.db2.gz SEJCSODRAGNRNE-UYAOXDASSA-N 1 2 499.616 1.293 20 0 JDADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C)C(=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001502867952 1070870116 /nfs/dbraw/zinc/87/01/16/1070870116.db2.gz LRYIBQKRCMDLTD-IBGZPJMESA-N 1 2 499.616 1.259 20 0 JDADLO CCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC001502881067 1070873473 /nfs/dbraw/zinc/87/34/73/1070873473.db2.gz QLWYYQMDGUTOCH-FQEVSTJZSA-N 1 2 497.644 1.996 20 0 JDADLO CCOc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001502914638 1070880898 /nfs/dbraw/zinc/88/08/98/1070880898.db2.gz MMEBDNRVSZDZHU-QHCPKHFHSA-N 1 2 493.630 1.336 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CC(=O)NCC(F)F)cc1 ZINC001504198816 1070876481 /nfs/dbraw/zinc/87/64/81/1070876481.db2.gz DBSMHJJCUFZVIQ-HNNXBMFYSA-N 1 2 491.543 1.124 20 0 JDADLO CCOc1ccccc1OCc1nnc(N2CCNC(=O)[C@H]2CC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001502915831 1070881685 /nfs/dbraw/zinc/88/16/85/1070881685.db2.gz KEQIOTNDPXNPTD-HXUWFJFHSA-N 1 2 499.616 1.135 20 0 JDADLO COc1ccc([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H](C)[NH+]3CCOCC3)C2)cc1 ZINC001504215812 1070888934 /nfs/dbraw/zinc/88/89/34/1070888934.db2.gz RXHJQQOGTNLQHQ-QWFCFKBJSA-N 1 2 492.646 1.612 20 0 JDADLO COc1ccc([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H](C)[NH+]3CCOCC3)C2)cc1 ZINC001504215813 1070889013 /nfs/dbraw/zinc/88/90/13/1070889013.db2.gz RXHJQQOGTNLQHQ-WSTZPKSXSA-N 1 2 492.646 1.612 20 0 JDADLO COc1ccc(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001504221067 1070891245 /nfs/dbraw/zinc/89/12/45/1070891245.db2.gz WICGUQPCKKRMBW-NQIIRXRSSA-N 1 2 456.591 1.885 20 0 JDADLO COc1ccc(CCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 ZINC001504222386 1070891447 /nfs/dbraw/zinc/89/14/47/1070891447.db2.gz JYVLKCASFUZTHU-NRFANRHFSA-N 1 2 470.618 1.755 20 0 JDADLO CCOC1CC(Cn2c([C@H]3CCCCO3)nnc2N(C)CC(=O)NC(C)C)([NH+]2CCOCC2)C1 ZINC001502937876 1070894263 /nfs/dbraw/zinc/89/42/63/1070894263.db2.gz GMJDNNRXERMSEP-ITGJCUMNSA-N 1 2 478.638 1.750 20 0 JDADLO COc1ccc(CCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001504231570 1070897279 /nfs/dbraw/zinc/89/72/79/1070897279.db2.gz PVXDCOLHJSQZIS-MOPGFXCFSA-N 1 2 456.591 1.460 20 0 JDADLO CCOCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001502992609 1070948936 /nfs/dbraw/zinc/94/89/36/1070948936.db2.gz STQLMCGNRIONBL-WOJBJXKFSA-N 1 2 462.639 1.978 20 0 JDADLO COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)c(OC)c1 ZINC001504261820 1070957207 /nfs/dbraw/zinc/95/72/07/1070957207.db2.gz RXILKSPUOXPBHM-UHFFFAOYSA-N 1 2 481.557 1.759 20 0 JDADLO COc1ccc(Cn2c(C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)c(OC)n1 ZINC001504267267 1070980934 /nfs/dbraw/zinc/98/09/34/1070980934.db2.gz JXGYGICKNKCHRP-HXUWFJFHSA-N 1 2 459.595 1.278 20 0 JDADLO CCOCc1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503035479 1070997527 /nfs/dbraw/zinc/99/75/27/1070997527.db2.gz AGJRLCKFHIVXHA-LJQANCHMSA-N 1 2 450.628 1.615 20 0 JDADLO CCOCc1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503035479 1070997610 /nfs/dbraw/zinc/99/76/10/1070997610.db2.gz AGJRLCKFHIVXHA-LJQANCHMSA-N 1 2 450.628 1.615 20 0 JDADLO CCOCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503038139 1071001031 /nfs/dbraw/zinc/00/10/31/1071001031.db2.gz ILURMLCGLFPAOQ-IHFIDZABSA-N 1 2 450.628 1.613 20 0 JDADLO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503039679 1071002051 /nfs/dbraw/zinc/00/20/51/1071002051.db2.gz UYIRVGQTFYEKAP-ICSRJNTNSA-N 1 2 488.633 1.911 20 0 JDADLO COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CC(C)C)CC2)c(OC)n1 ZINC001504275876 1071002664 /nfs/dbraw/zinc/00/26/64/1071002664.db2.gz PGPVHOVFSOAYNY-GOSISDBHSA-N 1 2 478.619 1.419 20 0 JDADLO CCOCc1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503042727 1071005218 /nfs/dbraw/zinc/00/52/18/1071005218.db2.gz XBDACEYRMHDMBF-OAQYLSRUSA-N 1 2 456.591 1.678 20 0 JDADLO CCOCc1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503042727 1071005237 /nfs/dbraw/zinc/00/52/37/1071005237.db2.gz XBDACEYRMHDMBF-OAQYLSRUSA-N 1 2 456.591 1.678 20 0 JDADLO COc1ccc(Cn2c(N(C)CC[NH+]3CCOCC3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001504282417 1071008781 /nfs/dbraw/zinc/00/87/81/1071008781.db2.gz DTZAATIHCBBAIR-HSZRJFAPSA-N 1 2 460.579 1.539 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3CCC[C@@H]3NC(=O)NC3=O)CC2)cc1F ZINC001504285030 1071010594 /nfs/dbraw/zinc/01/05/94/1071010594.db2.gz VBHFSEXRNSGMKS-IBGZPJMESA-N 1 2 487.580 1.935 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001503060352 1071015749 /nfs/dbraw/zinc/01/57/49/1071015749.db2.gz GGRBPNLKRFGBEO-HSZRJFAPSA-N 1 2 480.679 1.764 20 0 JDADLO CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503062329 1071017414 /nfs/dbraw/zinc/01/74/14/1071017414.db2.gz QXYJHGCNUXGAFN-MOPGFXCFSA-N 1 2 465.643 1.944 20 0 JDADLO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503062335 1071017917 /nfs/dbraw/zinc/01/79/17/1071017917.db2.gz QXYJHGCNUXGAFN-RTBURBONSA-N 1 2 465.643 1.944 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC(C)C)CC1 ZINC001504293135 1071020254 /nfs/dbraw/zinc/02/02/54/1071020254.db2.gz SBPOBRNIHXJKIP-UHFFFAOYSA-N 1 2 489.596 1.801 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)COCCO2)CC1 ZINC001504292532 1071019664 /nfs/dbraw/zinc/01/96/64/1071019664.db2.gz KEQCPDOTPZGNHN-DEOSSOPVSA-N 1 2 490.580 1.692 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)OC)CC1 ZINC001504293529 1071020771 /nfs/dbraw/zinc/02/07/71/1071020771.db2.gz WMSKODGGZNKZPJ-MRXNPFEDSA-N 1 2 498.625 1.783 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](CNC(C)=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001503080537 1071029814 /nfs/dbraw/zinc/02/98/14/1071029814.db2.gz ZWKKLJDKGWNQIK-AZUAARDMSA-N 1 2 471.606 1.836 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503081709 1071030363 /nfs/dbraw/zinc/03/03/63/1071030363.db2.gz OBDZRHDUYGDWNH-GOSISDBHSA-N 1 2 467.578 1.722 20 0 JDADLO CCOCc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001503072269 1071026617 /nfs/dbraw/zinc/02/66/17/1071026617.db2.gz BILFUBJIYAQUCR-UHFFFAOYSA-N 1 2 452.563 1.761 20 0 JDADLO COc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504303754 1071032218 /nfs/dbraw/zinc/03/22/18/1071032218.db2.gz TVWYXHZGYOUAGM-JOCHJYFZSA-N 1 2 472.590 1.645 20 0 JDADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001503095600 1071038605 /nfs/dbraw/zinc/03/86/05/1071038605.db2.gz GROLHURNEVNKGO-NRFANRHFSA-N 1 2 492.646 1.360 20 0 JDADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001503097091 1071040240 /nfs/dbraw/zinc/04/02/40/1071040240.db2.gz ZZRQCAJYEHCRCU-UHFFFAOYSA-N 1 2 463.608 1.330 20 0 JDADLO CCOCc1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001503101415 1071051906 /nfs/dbraw/zinc/05/19/06/1071051906.db2.gz VOTFSOOJEFGYEG-JOCHJYFZSA-N 1 2 456.591 1.865 20 0 JDADLO COc1cccc([C@H](Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)[NH+](C)C)c1 ZINC001504324131 1071058376 /nfs/dbraw/zinc/05/83/76/1071058376.db2.gz BFXDJOYHZSGKEW-NSHGMRRFSA-N 1 2 463.604 1.717 20 0 JDADLO COc1cccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CCS(=O)(=O)CC2)[NH+](C)C)c1 ZINC001504326666 1071061224 /nfs/dbraw/zinc/06/12/24/1071061224.db2.gz XHKOGWGIGQJUML-OAQYLSRUSA-N 1 2 470.599 1.810 20 0 JDADLO CCOCc1nnc(N2CCN(CC(F)F)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001503111898 1071069356 /nfs/dbraw/zinc/06/93/56/1071069356.db2.gz DHKZDLMGMUAUSA-FQEVSTJZSA-N 1 2 460.595 1.410 20 0 JDADLO CCOCc1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1CC1(O)CCOCC1 ZINC001503112268 1071070497 /nfs/dbraw/zinc/07/04/97/1071070497.db2.gz BNAXNTUDDNARRE-UHFFFAOYSA-N 1 2 463.554 1.826 20 0 JDADLO COc1cccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CC(=O)NCC(F)F)c1 ZINC001504341393 1071070458 /nfs/dbraw/zinc/07/04/58/1071070458.db2.gz MGKBHTMEYMMUMC-OAHLLOKOSA-N 1 2 491.543 1.124 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503121749 1071088120 /nfs/dbraw/zinc/08/81/20/1071088120.db2.gz AMVJGXMZVQCWLR-LEWJYISDSA-N 1 2 460.627 1.251 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503122222 1071088167 /nfs/dbraw/zinc/08/81/67/1071088167.db2.gz CKQFJRWUQQSBJG-ROUUACIJSA-N 1 2 468.599 1.265 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503122222 1071088180 /nfs/dbraw/zinc/08/81/80/1071088180.db2.gz CKQFJRWUQQSBJG-ROUUACIJSA-N 1 2 468.599 1.265 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001503125798 1071091375 /nfs/dbraw/zinc/09/13/75/1071091375.db2.gz SPVMXFFQDYWBHB-GOSISDBHSA-N 1 2 480.610 1.409 20 0 JDADLO COc1cccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001504365408 1071097731 /nfs/dbraw/zinc/09/77/31/1071097731.db2.gz QAMGSUQQSOHKAG-GOSISDBHSA-N 1 2 453.547 1.980 20 0 JDADLO CCOC[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001503148025 1071102221 /nfs/dbraw/zinc/10/22/21/1071102221.db2.gz JPCDHIYICBBNRQ-MJGOQNOKSA-N 1 2 493.634 1.031 20 0 JDADLO COc1ccccc1-c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCS(=O)(=O)N(C)C ZINC001504389737 1071124157 /nfs/dbraw/zinc/12/41/57/1071124157.db2.gz IXWKNYRRSRCOQS-UHFFFAOYSA-N 1 2 486.602 1.270 20 0 JDADLO COc1ccccc1[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504393962 1071129553 /nfs/dbraw/zinc/12/95/53/1071129553.db2.gz PUBPZGHGYUICGE-GGPKGHCWSA-N 1 2 492.646 1.959 20 0 JDADLO COc1ccccc1[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@H]1C ZINC001504393962 1071129556 /nfs/dbraw/zinc/12/95/56/1071129556.db2.gz PUBPZGHGYUICGE-GGPKGHCWSA-N 1 2 492.646 1.959 20 0 JDADLO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504401739 1071136466 /nfs/dbraw/zinc/13/64/66/1071136466.db2.gz SAYZBDLWIXAPAE-OAQYLSRUSA-N 1 2 456.591 1.657 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504409484 1071151682 /nfs/dbraw/zinc/15/16/82/1071151682.db2.gz MXRITRLTKVEZEO-GHTZIAJQSA-N 1 2 456.591 1.703 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504409484 1071151710 /nfs/dbraw/zinc/15/17/10/1071151710.db2.gz MXRITRLTKVEZEO-GHTZIAJQSA-N 1 2 456.591 1.703 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1CC ZINC001503218857 1071170824 /nfs/dbraw/zinc/17/08/24/1071170824.db2.gz IQSDQIKOIPMTBC-GOSISDBHSA-N 1 2 465.624 1.193 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1CC ZINC001503218857 1071170839 /nfs/dbraw/zinc/17/08/39/1071170839.db2.gz IQSDQIKOIPMTBC-GOSISDBHSA-N 1 2 465.624 1.193 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001504418410 1071171633 /nfs/dbraw/zinc/17/16/33/1071171633.db2.gz XOQHFPFSWAOHIW-RTBURBONSA-N 1 2 477.631 1.612 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503219594 1071173098 /nfs/dbraw/zinc/17/30/98/1071173098.db2.gz FDUPKAJEXZOKBS-AUSIDOKSSA-N 1 2 492.646 1.135 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503219594 1071173106 /nfs/dbraw/zinc/17/31/06/1071173106.db2.gz FDUPKAJEXZOKBS-AUSIDOKSSA-N 1 2 492.646 1.135 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CC ZINC001503219606 1071173825 /nfs/dbraw/zinc/17/38/25/1071173825.db2.gz FEMSNLZBPVWSSM-ZWKOTPCHSA-N 1 2 463.608 1.107 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CC ZINC001503219606 1071173834 /nfs/dbraw/zinc/17/38/34/1071173834.db2.gz FEMSNLZBPVWSSM-ZWKOTPCHSA-N 1 2 463.608 1.107 20 0 JDADLO CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001503222661 1071182699 /nfs/dbraw/zinc/18/26/99/1071182699.db2.gz HUMQCJDTEBNDQF-RBUKOAKNSA-N 1 2 496.703 1.703 20 0 JDADLO CCOCCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001503223095 1071186623 /nfs/dbraw/zinc/18/66/23/1071186623.db2.gz LOCMLTDQCMTUAH-RTWAWAEBSA-N 1 2 450.628 1.299 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H]1CC ZINC001503223455 1071188510 /nfs/dbraw/zinc/18/85/10/1071188510.db2.gz NFBQNZFCTXYDEG-DOIPELPJSA-N 1 2 483.679 1.932 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H]1CC ZINC001503223455 1071188513 /nfs/dbraw/zinc/18/85/13/1071188513.db2.gz NFBQNZFCTXYDEG-DOIPELPJSA-N 1 2 483.679 1.932 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503223789 1071189785 /nfs/dbraw/zinc/18/97/85/1071189785.db2.gz SEEXDKQEQRIWDM-UGKGYDQZSA-N 1 2 497.687 1.417 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503223789 1071189804 /nfs/dbraw/zinc/18/98/04/1071189804.db2.gz SEEXDKQEQRIWDM-UGKGYDQZSA-N 1 2 497.687 1.417 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503223787 1071189957 /nfs/dbraw/zinc/18/99/57/1071189957.db2.gz SEEXDKQEQRIWDM-KNQAVFIVSA-N 1 2 497.687 1.417 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503223787 1071189967 /nfs/dbraw/zinc/18/99/67/1071189967.db2.gz SEEXDKQEQRIWDM-KNQAVFIVSA-N 1 2 497.687 1.417 20 0 JDADLO CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503223965 1071190759 /nfs/dbraw/zinc/19/07/59/1071190759.db2.gz RGWCMVSKCOEFCX-LEWJYISDSA-N 1 2 450.628 1.297 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C[C@H]1CC ZINC001503223957 1071190801 /nfs/dbraw/zinc/19/08/01/1071190801.db2.gz REAQPNGQZNUZTE-LEWJYISDSA-N 1 2 483.679 1.934 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C[C@H]1CC ZINC001503223957 1071190814 /nfs/dbraw/zinc/19/08/14/1071190814.db2.gz REAQPNGQZNUZTE-LEWJYISDSA-N 1 2 483.679 1.934 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C[C@@H]1CC ZINC001503223960 1071191054 /nfs/dbraw/zinc/19/10/54/1071191054.db2.gz REAQPNGQZNUZTE-SFTDATJTSA-N 1 2 483.679 1.934 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C[C@@H]1CC ZINC001503223960 1071191069 /nfs/dbraw/zinc/19/10/69/1071191069.db2.gz REAQPNGQZNUZTE-SFTDATJTSA-N 1 2 483.679 1.934 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504430583 1071192117 /nfs/dbraw/zinc/19/21/17/1071192117.db2.gz FRDGOMCSTIDEAD-GOSISDBHSA-N 1 2 455.563 1.956 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504430883 1071192393 /nfs/dbraw/zinc/19/23/93/1071192393.db2.gz UZNAIGCLEOBIBI-GOSISDBHSA-N 1 2 486.598 1.998 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C[C@H]1CC ZINC001503224660 1071193129 /nfs/dbraw/zinc/19/31/29/1071193129.db2.gz VCNZFDBSLBSTCW-VQTJNVASSA-N 1 2 479.651 1.322 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C[C@H]1CC ZINC001503224660 1071193141 /nfs/dbraw/zinc/19/31/41/1071193141.db2.gz VCNZFDBSLBSTCW-VQTJNVASSA-N 1 2 479.651 1.322 20 0 JDADLO COc1ccccc1O[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504430952 1071193153 /nfs/dbraw/zinc/19/31/53/1071193153.db2.gz QUPGHTAAEFMRFZ-IBGZPJMESA-N 1 2 472.590 1.759 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C[C@@H]1CC ZINC001503224654 1071193616 /nfs/dbraw/zinc/19/36/16/1071193616.db2.gz VCNZFDBSLBSTCW-PMACEKPBSA-N 1 2 479.651 1.322 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C[C@@H]1CC ZINC001503224654 1071193626 /nfs/dbraw/zinc/19/36/26/1071193626.db2.gz VCNZFDBSLBSTCW-PMACEKPBSA-N 1 2 479.651 1.322 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C[C@@H]1CC ZINC001503224657 1071193679 /nfs/dbraw/zinc/19/36/79/1071193679.db2.gz VCNZFDBSLBSTCW-UXHICEINSA-N 1 2 479.651 1.322 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C[C@@H]1CC ZINC001503224657 1071193691 /nfs/dbraw/zinc/19/36/91/1071193691.db2.gz VCNZFDBSLBSTCW-UXHICEINSA-N 1 2 479.651 1.322 20 0 JDADLO COc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001504433192 1071195923 /nfs/dbraw/zinc/19/59/23/1071195923.db2.gz VBWOMNSZBCCVNH-IBGZPJMESA-N 1 2 485.633 1.559 20 0 JDADLO COc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001504433192 1071195953 /nfs/dbraw/zinc/19/59/53/1071195953.db2.gz VBWOMNSZBCCVNH-IBGZPJMESA-N 1 2 485.633 1.559 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC(CC(N)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504436163 1071200257 /nfs/dbraw/zinc/20/02/57/1071200257.db2.gz UCTORGOYSBOLCA-UHFFFAOYSA-N 1 2 499.616 1.122 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504440682 1071211397 /nfs/dbraw/zinc/21/13/97/1071211397.db2.gz UCOXYPPFTXYMJT-RTBURBONSA-N 1 2 472.590 1.678 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504440682 1071211400 /nfs/dbraw/zinc/21/14/00/1071211400.db2.gz UCOXYPPFTXYMJT-RTBURBONSA-N 1 2 472.590 1.678 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504441118 1071212048 /nfs/dbraw/zinc/21/20/48/1071212048.db2.gz IVLBPWVUNJYNQP-FQEVSTJZSA-N 1 2 495.584 1.716 20 0 JDADLO COc1ccccc1SCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504445399 1071216482 /nfs/dbraw/zinc/21/64/82/1071216482.db2.gz PNIKEAAUCRMZQD-QZTJIDSGSA-N 1 2 474.631 1.967 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC1CCOCC1 ZINC001504454103 1071225099 /nfs/dbraw/zinc/22/50/99/1071225099.db2.gz OYYYCCQQFWCAEF-HNNXBMFYSA-N 1 2 452.581 1.593 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001504452841 1071223712 /nfs/dbraw/zinc/22/37/12/1071223712.db2.gz DVCSZWWSSCXCRG-UHFFFAOYSA-N 1 2 469.933 1.592 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001504455723 1071230392 /nfs/dbraw/zinc/23/03/92/1071230392.db2.gz KCNUOEGLCSWWDE-UHFFFAOYSA-N 1 2 471.587 1.576 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001504458399 1071235656 /nfs/dbraw/zinc/23/56/56/1071235656.db2.gz AYXCOQVVNVKQCX-QGZVFWFLSA-N 1 2 472.496 1.940 20 0 JDADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503242179 1071233365 /nfs/dbraw/zinc/23/33/65/1071233365.db2.gz WQSNDWNJLROTOK-AEFFLSMTSA-N 1 2 450.609 1.941 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001504456911 1071233405 /nfs/dbraw/zinc/23/34/05/1071233405.db2.gz ILAHIGXHYJNZPZ-CYBMUJFWSA-N 1 2 464.452 1.635 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503242188 1071233542 /nfs/dbraw/zinc/23/35/42/1071233542.db2.gz WQSNDWNJLROTOK-WMZOPIPTSA-N 1 2 450.609 1.941 20 0 JDADLO COc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001504457654 1071234131 /nfs/dbraw/zinc/23/41/31/1071234131.db2.gz JEIHHTDEMUNRDJ-UHFFFAOYSA-N 1 2 451.535 1.293 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001504457187 1071234227 /nfs/dbraw/zinc/23/42/27/1071234227.db2.gz IRYUXLXOWXUDIX-ZFWWWQNUSA-N 1 2 453.469 1.754 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001504457186 1071234485 /nfs/dbraw/zinc/23/44/85/1071234485.db2.gz IRYUXLXOWXUDIX-UKRRQHHQSA-N 1 2 453.469 1.754 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001503243575 1071237955 /nfs/dbraw/zinc/23/79/55/1071237955.db2.gz VKXUJRDHLYLBCY-ZWKOTPCHSA-N 1 2 452.625 1.889 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503243575 1071237965 /nfs/dbraw/zinc/23/79/65/1071237965.db2.gz VKXUJRDHLYLBCY-ZWKOTPCHSA-N 1 2 452.625 1.889 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSC ZINC001504460788 1071238948 /nfs/dbraw/zinc/23/89/48/1071238948.db2.gz WOPLNIXZJBPYQO-CRAIPNDOSA-N 1 2 484.648 1.641 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 ZINC001504458833 1071236294 /nfs/dbraw/zinc/23/62/94/1071236294.db2.gz FWEZYJKYTSEDEX-SFHVURJKSA-N 1 2 464.592 1.689 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001504461671 1071241027 /nfs/dbraw/zinc/24/10/27/1071241027.db2.gz YAVCNALOXSCVHK-UHFFFAOYSA-N 1 2 478.525 1.681 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001503246445 1071247550 /nfs/dbraw/zinc/24/75/50/1071247550.db2.gz ZFKAHJTUBGIYOE-INIZCTEOSA-N 1 2 451.597 1.370 20 0 JDADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1cn2ccccc2[nH+]1 ZINC001503246787 1071248288 /nfs/dbraw/zinc/24/82/88/1071248288.db2.gz NCIJRNBEISSMPD-QGZVFWFLSA-N 1 2 473.603 1.550 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1cn2ccccc2[nH+]1 ZINC001503246786 1071248448 /nfs/dbraw/zinc/24/84/48/1071248448.db2.gz NCIJRNBEISSMPD-KRWDZBQOSA-N 1 2 473.603 1.550 20 0 JDADLO CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001504472337 1071248449 /nfs/dbraw/zinc/24/84/49/1071248449.db2.gz OQAAHYPDEXWPRD-SZVBFZGTSA-N 1 2 477.635 1.727 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2cnccn2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001503249377 1071259374 /nfs/dbraw/zinc/25/93/74/1071259374.db2.gz QIRSRWGKOLGSGR-FQEVSTJZSA-N 1 2 498.657 1.817 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001503249649 1071260350 /nfs/dbraw/zinc/26/03/50/1071260350.db2.gz CCTITBVMXTXGAC-ZWKOTPCHSA-N 1 2 478.619 1.920 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001503251923 1071269546 /nfs/dbraw/zinc/26/95/46/1071269546.db2.gz SURUMCREWPAXDW-UHFFFAOYSA-N 1 2 474.631 1.330 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCc2ccccc2C1 ZINC001503251923 1071269582 /nfs/dbraw/zinc/26/95/82/1071269582.db2.gz SURUMCREWPAXDW-UHFFFAOYSA-N 1 2 474.631 1.330 20 0 JDADLO CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001503252187 1071270528 /nfs/dbraw/zinc/27/05/28/1071270528.db2.gz JWYZLQXERXRUIX-UHFFFAOYSA-N 1 2 451.593 1.927 20 0 JDADLO CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001503257388 1071294928 /nfs/dbraw/zinc/29/49/28/1071294928.db2.gz GBVVZBLPTQZIDT-GHTZIAJQSA-N 1 2 463.652 1.918 20 0 JDADLO CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001503257388 1071294944 /nfs/dbraw/zinc/29/49/44/1071294944.db2.gz GBVVZBLPTQZIDT-GHTZIAJQSA-N 1 2 463.652 1.918 20 0 JDADLO CO[C@H]1COCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504519656 1071295746 /nfs/dbraw/zinc/29/57/46/1071295746.db2.gz WUJUPTKPZDLZJH-IRLDBZIGSA-N 1 2 486.617 1.967 20 0 JDADLO CO[C@@H]1COCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504519657 1071296001 /nfs/dbraw/zinc/29/60/01/1071296001.db2.gz WUJUPTKPZDLZJH-RBBKRZOGSA-N 1 2 486.617 1.967 20 0 JDADLO CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC[C@H]1C ZINC001504520125 1071296975 /nfs/dbraw/zinc/29/69/75/1071296975.db2.gz KNLMNWNPKOAUPI-UTKZUKDTSA-N 1 2 458.611 1.165 20 0 JDADLO COCC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001504529676 1071314282 /nfs/dbraw/zinc/31/42/82/1071314282.db2.gz BFISTQGRLQTBCP-RUZDIDTESA-N 1 2 486.617 1.950 20 0 JDADLO COCC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001504528045 1071310931 /nfs/dbraw/zinc/31/09/31/1071310931.db2.gz PFMRPWCFJCBOST-UHFFFAOYSA-N 1 2 457.579 1.151 20 0 JDADLO CO[C@@H]1COCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504528943 1071312778 /nfs/dbraw/zinc/31/27/78/1071312778.db2.gz NFCKJADVRAXTKE-DNVJHFABSA-N 1 2 478.682 1.759 20 0 JDADLO CCS(=O)(=O)CCn1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001503263220 1071318607 /nfs/dbraw/zinc/31/86/07/1071318607.db2.gz ZYUBBUAEPKXMOQ-WIYYLYMNSA-N 1 2 455.625 1.428 20 0 JDADLO CCS(=O)(=O)CCn1c(N2CC[N@H+]3CCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001503263220 1071318629 /nfs/dbraw/zinc/31/86/29/1071318629.db2.gz ZYUBBUAEPKXMOQ-WIYYLYMNSA-N 1 2 455.625 1.428 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001504537455 1071345990 /nfs/dbraw/zinc/34/59/90/1071345990.db2.gz BIJOMBZIRJWXEN-UHFFFAOYSA-N 1 2 468.562 1.038 20 0 JDADLO CCS(=O)(=O)N(C)CCCn1c(C2CC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001503270185 1071356181 /nfs/dbraw/zinc/35/61/81/1071356181.db2.gz OXBYAQACIZXKRG-UHFFFAOYSA-N 1 2 451.597 1.446 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001504541525 1071365935 /nfs/dbraw/zinc/36/59/35/1071365935.db2.gz IYZSYEYLVOKZPM-UHFFFAOYSA-N 1 2 484.630 1.875 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001504541231 1071364882 /nfs/dbraw/zinc/36/48/82/1071364882.db2.gz ZNRIZWRMHFKOQQ-UHFFFAOYSA-N 1 2 464.574 1.889 20 0 JDADLO CCS(=O)(=O)NCCCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503277023 1071393242 /nfs/dbraw/zinc/39/32/42/1071393242.db2.gz HEHRWJZWTUCANJ-LJQANCHMSA-N 1 2 497.710 1.329 20 0 JDADLO COC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001504577612 1071399029 /nfs/dbraw/zinc/39/90/29/1071399029.db2.gz GFZVCDPTLAUCNG-KRWDZBQOSA-N 1 2 452.519 1.308 20 0 JDADLO COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504586126 1071417723 /nfs/dbraw/zinc/41/77/23/1071417723.db2.gz XRQZSJWASTVCLE-AZUAARDMSA-N 1 2 457.579 1.134 20 0 JDADLO COC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504586127 1071418047 /nfs/dbraw/zinc/41/80/47/1071418047.db2.gz XRQZSJWASTVCLE-ICSRJNTNSA-N 1 2 457.579 1.134 20 0 JDADLO COC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)OC ZINC001504587549 1071422773 /nfs/dbraw/zinc/42/27/73/1071422773.db2.gz ZGIHGUWCPNEEHV-LEWJYISDSA-N 1 2 477.631 1.472 20 0 JDADLO COC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504587763 1071423632 /nfs/dbraw/zinc/42/36/32/1071423632.db2.gz FBXSDRKWSXTJLU-PZJWPPBQSA-N 1 2 471.606 1.058 20 0 JDADLO COC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504588488 1071425152 /nfs/dbraw/zinc/42/51/52/1071425152.db2.gz IVYAGGHQQPMQBX-FCHUYYIVSA-N 1 2 487.649 1.541 20 0 JDADLO COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001504597108 1071445401 /nfs/dbraw/zinc/44/54/01/1071445401.db2.gz UZLLKFIWWJOSEW-GOSISDBHSA-N 1 2 466.533 1.871 20 0 JDADLO CCS(=O)(=O)NCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503283315 1071443869 /nfs/dbraw/zinc/44/38/69/1071443869.db2.gz SWOBKGIILOTTQC-UHFFFAOYSA-N 1 2 491.021 1.963 20 0 JDADLO CCS(=O)(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001503283703 1071447374 /nfs/dbraw/zinc/44/73/74/1071447374.db2.gz WBMRTPLKOWATIA-UHFFFAOYSA-N 1 2 489.602 1.512 20 0 JDADLO CCS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503283883 1071450162 /nfs/dbraw/zinc/45/01/62/1071450162.db2.gz IMZZPPRFCPSLCZ-UHFFFAOYSA-N 1 2 488.593 1.372 20 0 JDADLO COC[C@H](F)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504603917 1071455835 /nfs/dbraw/zinc/45/58/35/1071455835.db2.gz WBGGHGMDBZBTDH-NHCUHLMSSA-N 1 2 461.586 1.556 20 0 JDADLO CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001503285236 1071466060 /nfs/dbraw/zinc/46/60/60/1071466060.db2.gz GAXJRXAQSZLHGP-PMERELPUSA-N 1 2 450.634 1.666 20 0 JDADLO CC[S@](=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001503296035 1071508731 /nfs/dbraw/zinc/50/87/31/1071508731.db2.gz HYZBECIQCGMOLF-YTTGMZPUSA-N 1 2 459.624 1.639 20 0 JDADLO CC[S@@](=O)CCn1c(CC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001503296596 1071510475 /nfs/dbraw/zinc/51/04/75/1071510475.db2.gz KXUUSKXRGYCXOB-MGBGTMOVSA-N 1 2 476.651 1.198 20 0 JDADLO CC[S@@](=O)CCn1c(CC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001503296596 1071510488 /nfs/dbraw/zinc/51/04/88/1071510488.db2.gz KXUUSKXRGYCXOB-MGBGTMOVSA-N 1 2 476.651 1.198 20 0 JDADLO CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001503297636 1071514220 /nfs/dbraw/zinc/51/42/20/1071514220.db2.gz POYIIBSJKKEVOS-UKNMIUEZSA-N 1 2 471.693 1.650 20 0 JDADLO CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001503300062 1071517537 /nfs/dbraw/zinc/51/75/37/1071517537.db2.gz QTWNFKTWHPLUCS-RCYNOIJSSA-N 1 2 450.634 1.943 20 0 JDADLO CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001503300060 1071517960 /nfs/dbraw/zinc/51/79/60/1071517960.db2.gz QTWNFKTWHPLUCS-IGWBVUALSA-N 1 2 450.634 1.943 20 0 JDADLO CC[S@](=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503302309 1071523247 /nfs/dbraw/zinc/52/32/47/1071523247.db2.gz WWBWISYPRSHLFF-MPRUMBSSSA-N 1 2 486.686 1.935 20 0 JDADLO CC[S@](=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503302318 1071523301 /nfs/dbraw/zinc/52/33/01/1071523301.db2.gz WWBWISYPRSHLFF-OTHANADMSA-N 1 2 486.686 1.935 20 0 JDADLO CC[S@](=O)CCn1c(-c2cccnc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001503312432 1071535518 /nfs/dbraw/zinc/53/55/18/1071535518.db2.gz KTFSDDDYMNUPJH-YTTGMZPUSA-N 1 2 459.620 1.243 20 0 JDADLO CC[S@](=O)CCn1c(-c2cccnc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001503312432 1071535532 /nfs/dbraw/zinc/53/55/32/1071535532.db2.gz KTFSDDDYMNUPJH-YTTGMZPUSA-N 1 2 459.620 1.243 20 0 JDADLO CC[S@](=O)CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001503314347 1071537079 /nfs/dbraw/zinc/53/70/79/1071537079.db2.gz QSFAQIDKBWDVFT-YTTGMZPUSA-N 1 2 456.620 1.781 20 0 JDADLO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503317305 1071538946 /nfs/dbraw/zinc/53/89/46/1071538946.db2.gz BLQPPIJLNAVCOF-OTWHNJEPSA-N 1 2 463.652 1.504 20 0 JDADLO COC[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504683645 1071539366 /nfs/dbraw/zinc/53/93/66/1071539366.db2.gz MMLZIMOJVBRMCC-QFIPXVFZSA-N 1 2 470.618 1.927 20 0 JDADLO COC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001504689400 1071545219 /nfs/dbraw/zinc/54/52/19/1071545219.db2.gz XOQJDPJNVVUFHS-RTBURBONSA-N 1 2 457.579 1.755 20 0 JDADLO CCSCCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503337607 1071544517 /nfs/dbraw/zinc/54/45/17/1071544517.db2.gz AHVWPLCHNTUZCK-GOSISDBHSA-N 1 2 465.668 1.692 20 0 JDADLO CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001503362647 1071582911 /nfs/dbraw/zinc/58/29/11/1071582911.db2.gz JHOZLXNARJDZNM-GOSISDBHSA-N 1 2 494.687 1.475 20 0 JDADLO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC001504726716 1071595047 /nfs/dbraw/zinc/59/50/47/1071595047.db2.gz HZCWPZDCXJFJGL-BZSNNMDCSA-N 1 2 464.592 1.318 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001504730382 1071600432 /nfs/dbraw/zinc/60/04/32/1071600432.db2.gz KHHNQHNNKWHRHN-OFNKIYASSA-N 1 2 470.618 1.582 20 0 JDADLO COC[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001504738584 1071615568 /nfs/dbraw/zinc/61/55/68/1071615568.db2.gz SIFNJWNJEBEPAL-ZCNNSNEGSA-N 1 2 494.637 1.922 20 0 JDADLO COC[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001504738577 1071615599 /nfs/dbraw/zinc/61/55/99/1071615599.db2.gz SIFNJWNJEBEPAL-AQNXPRMDSA-N 1 2 494.637 1.922 20 0 JDADLO COC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001504741692 1071619885 /nfs/dbraw/zinc/61/98/85/1071619885.db2.gz RDDXXMFDBNFRBE-QYZOEREBSA-N 1 2 463.554 1.957 20 0 JDADLO COC[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001504743988 1071621399 /nfs/dbraw/zinc/62/13/99/1071621399.db2.gz ZQZSUTHEQGJLRE-LJQANCHMSA-N 1 2 476.553 1.012 20 0 JDADLO CN(C)C(=O)CN1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001503376663 1071622975 /nfs/dbraw/zinc/62/29/75/1071622975.db2.gz PIRNWURBIDALKN-UHFFFAOYSA-N 1 2 496.591 1.716 20 0 JDADLO COCC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001504751817 1071633875 /nfs/dbraw/zinc/63/38/75/1071633875.db2.gz OIQURVYECYOBFX-KOSHJBKYSA-N 1 2 456.591 1.522 20 0 JDADLO CN(C)C(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001503378220 1071632885 /nfs/dbraw/zinc/63/28/85/1071632885.db2.gz SPZAKZGGZAZCKK-UHFFFAOYSA-N 1 2 484.605 1.424 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccsc1 ZINC001503379028 1071634283 /nfs/dbraw/zinc/63/42/83/1071634283.db2.gz BQJJUGZMNICNDF-QINHECLXSA-N 1 2 466.633 1.246 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1)c1c(F)cccc1F ZINC001503381914 1071637457 /nfs/dbraw/zinc/63/74/57/1071637457.db2.gz MSJRIRPDRGRMOW-QZTJIDSGSA-N 1 2 484.573 1.792 20 0 JDADLO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1)c1c(F)cccc1F ZINC001503381930 1071637734 /nfs/dbraw/zinc/63/77/34/1071637734.db2.gz MSJRIRPDRGRMOW-ZWKOTPCHSA-N 1 2 484.573 1.792 20 0 JDADLO COCC[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504754352 1071640220 /nfs/dbraw/zinc/64/02/20/1071640220.db2.gz FBYKWHNRQQTORI-OFNKIYASSA-N 1 2 461.563 1.347 20 0 JDADLO Cn1cc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cn1 ZINC001503384205 1071641090 /nfs/dbraw/zinc/64/10/90/1071641090.db2.gz YBEFSWMZHFUZAI-SFHVURJKSA-N 1 2 458.517 1.961 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC001503384976 1071642719 /nfs/dbraw/zinc/64/27/19/1071642719.db2.gz YFZILJXDBZSXJC-YQVWRLOYSA-N 1 2 478.594 1.324 20 0 JDADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(Cc3cccnc3)n1CCOCCS(C)(=O)=O)C2 ZINC001503390846 1071650929 /nfs/dbraw/zinc/65/09/29/1071650929.db2.gz BBBGBQKXAQUMJL-UHFFFAOYSA-N 1 2 485.614 1.349 20 0 JDADLO CN(C)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS(=O)(=O)CC2)c[nH+]1 ZINC001503390204 1071649656 /nfs/dbraw/zinc/64/96/56/1071649656.db2.gz CQSJAXRXAWRNLQ-UHFFFAOYSA-N 1 2 480.392 1.780 20 0 JDADLO CN(C)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(F)F)CC2)c[nH+]1 ZINC001503390610 1071650235 /nfs/dbraw/zinc/65/02/35/1071650235.db2.gz RYBYDQPGLUVROD-UHFFFAOYSA-N 1 2 471.516 1.822 20 0 JDADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(Cc3ccccc3F)n1CCNS(C)(=O)=O)C2 ZINC001503392477 1071652735 /nfs/dbraw/zinc/65/27/35/1071652735.db2.gz WCSSUTZDEZYXTC-UHFFFAOYSA-N 1 2 473.578 1.581 20 0 JDADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C(=O)Nc3ccccn3)n1CCCS(C)(=O)=O)C2 ZINC001503392558 1071652740 /nfs/dbraw/zinc/65/27/40/1071652740.db2.gz PFJSAXLQUGRDEH-UHFFFAOYSA-N 1 2 484.586 1.384 20 0 JDADLO CN(C)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)c[nH+]1 ZINC001503394692 1071653840 /nfs/dbraw/zinc/65/38/40/1071653840.db2.gz WQPXUQBGBWDIRL-HOTGVXAUSA-N 1 2 467.496 1.796 20 0 JDADLO CN(C)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(S(C)(=O)=O)CC2)c[nH+]1 ZINC001503394416 1071653850 /nfs/dbraw/zinc/65/38/50/1071653850.db2.gz RTYSVAGCSHMMSF-UHFFFAOYSA-N 1 2 455.588 1.787 20 0 JDADLO CN(C)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)c[nH+]1 ZINC001503394697 1071653880 /nfs/dbraw/zinc/65/38/80/1071653880.db2.gz WQPXUQBGBWDIRL-JKSUJKDBSA-N 1 2 467.496 1.796 20 0 JDADLO CN(C)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)c[nH+]1 ZINC001503394435 1071653890 /nfs/dbraw/zinc/65/38/90/1071653890.db2.gz SBXLIBAGCMCULE-UHFFFAOYSA-N 1 2 470.603 1.291 20 0 JDADLO COCCc1noc(CN(C)c2nnc(C3CCCC3)n2CC[NH+]2CCN(C(C)=O)CC2)n1 ZINC001504776223 1071666698 /nfs/dbraw/zinc/66/66/98/1071666698.db2.gz NRYXVIZMTAFQJK-UHFFFAOYSA-N 1 2 460.583 1.308 20 0 JDADLO COCC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001504783897 1071671089 /nfs/dbraw/zinc/67/10/89/1071671089.db2.gz WWFFONAGXDHXAR-MSOLQXFVSA-N 1 2 477.635 1.795 20 0 JDADLO COCC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001504783901 1071671568 /nfs/dbraw/zinc/67/15/68/1071671568.db2.gz WWFFONAGXDHXAR-ROUUACIJSA-N 1 2 477.635 1.795 20 0 JDADLO COCC[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001504783899 1071671659 /nfs/dbraw/zinc/67/16/59/1071671659.db2.gz WWFFONAGXDHXAR-QZTJIDSGSA-N 1 2 477.635 1.795 20 0 JDADLO COCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504811482 1071682926 /nfs/dbraw/zinc/68/29/26/1071682926.db2.gz FHNOXYSUAMUNRA-FQEVSTJZSA-N 1 2 493.653 1.987 20 0 JDADLO COCCCN(c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001504815916 1071688691 /nfs/dbraw/zinc/68/86/91/1071688691.db2.gz DPFXYTVWVYLHFW-VQTJNVASSA-N 1 2 467.636 1.464 20 0 JDADLO COCCCN(c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001504815916 1071688694 /nfs/dbraw/zinc/68/86/94/1071688694.db2.gz DPFXYTVWVYLHFW-VQTJNVASSA-N 1 2 467.636 1.464 20 0 JDADLO CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCSCC1)[C@@H]1CCOC1 ZINC001503412013 1071700109 /nfs/dbraw/zinc/70/01/09/1071700109.db2.gz AWOQUNXPQJDVMQ-QGZVFWFLSA-N 1 2 451.618 1.623 20 0 JDADLO COCCCN(c1nnc(C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001504818470 1071700555 /nfs/dbraw/zinc/70/05/55/1071700555.db2.gz NDRIRPINCLXBSO-LNLFQRSKSA-N 1 2 457.641 1.504 20 0 JDADLO COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001504820348 1071705762 /nfs/dbraw/zinc/70/57/62/1071705762.db2.gz LOFLGNLQZJZYOS-INIZCTEOSA-N 1 2 471.027 1.900 20 0 JDADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCS2)CC1 ZINC001504830130 1071712872 /nfs/dbraw/zinc/71/28/72/1071712872.db2.gz BGEWKLPGFSEMOJ-RTBURBONSA-N 1 2 475.663 1.842 20 0 JDADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCOC2)CC1 ZINC001504830858 1071715145 /nfs/dbraw/zinc/71/51/45/1071715145.db2.gz HJXNKHSBKPILOA-CJFMBICVSA-N 1 2 486.617 1.068 20 0 JDADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCCCC2)CC1 ZINC001504832282 1071723381 /nfs/dbraw/zinc/72/33/81/1071723381.db2.gz RAXYKYZYCLCTCU-LJQANCHMSA-N 1 2 473.622 1.632 20 0 JDADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCCCC2)CC1 ZINC001504832281 1071723466 /nfs/dbraw/zinc/72/34/66/1071723466.db2.gz RAXYKYZYCLCTCU-IBGZPJMESA-N 1 2 473.622 1.632 20 0 JDADLO COCCCNC(=O)[C@H](C)N1CCN(c2nnc(C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001504832590 1071724847 /nfs/dbraw/zinc/72/48/47/1071724847.db2.gz YNDZORHMJWSDJW-FQEVSTJZSA-N 1 2 484.649 1.683 20 0 JDADLO COCCCNC(=O)[C@@H](C)N1CCN(c2nnc(C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001504832594 1071724993 /nfs/dbraw/zinc/72/49/93/1071724993.db2.gz YNDZORHMJWSDJW-HXUWFJFHSA-N 1 2 484.649 1.683 20 0 JDADLO COCCCn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001504834750 1071731982 /nfs/dbraw/zinc/73/19/82/1071731982.db2.gz WTQZSJIUWPWOPV-YKSBVNFPSA-N 1 2 478.638 1.488 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001503439020 1071748365 /nfs/dbraw/zinc/74/83/65/1071748365.db2.gz JXNAZUCYYLDEKI-UHFFFAOYSA-N 1 2 497.644 1.746 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccnc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503439123 1071749085 /nfs/dbraw/zinc/74/90/85/1071749085.db2.gz KUTXOELJRKRRQF-UHFFFAOYSA-N 1 2 464.574 1.971 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503442573 1071760354 /nfs/dbraw/zinc/76/03/54/1071760354.db2.gz JHQSKYRPBWGHLS-UHFFFAOYSA-N 1 2 478.601 1.895 20 0 JDADLO CN(CC(C)(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503448736 1071767610 /nfs/dbraw/zinc/76/76/10/1071767610.db2.gz QKUDPHRGFVOHIO-KRWDZBQOSA-N 1 2 472.656 1.204 20 0 JDADLO CN(CC(C)(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001503448736 1071767631 /nfs/dbraw/zinc/76/76/31/1071767631.db2.gz QKUDPHRGFVOHIO-KRWDZBQOSA-N 1 2 472.656 1.204 20 0 JDADLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CC1([S@](C)=O)CC1 ZINC001503448650 1071768993 /nfs/dbraw/zinc/76/89/93/1071768993.db2.gz HCTUZUWOTWAWFK-OKXSDPAFSA-N 1 2 453.653 1.878 20 0 JDADLO COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001504893809 1071818249 /nfs/dbraw/zinc/81/82/49/1071818249.db2.gz LIZPIMRHDYBLRB-IBGZPJMESA-N 1 2 499.037 1.233 20 0 JDADLO COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001504892741 1071816528 /nfs/dbraw/zinc/81/65/28/1071816528.db2.gz YZYGJPYRPSWKHL-UHFFFAOYSA-N 1 2 458.563 1.353 20 0 JDADLO COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504892887 1071817159 /nfs/dbraw/zinc/81/71/59/1071817159.db2.gz VNZFKSVVFIETEF-NRFANRHFSA-N 1 2 488.633 1.840 20 0 JDADLO COCCN1C[C@H](Cn2c(-c3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)CC1=O ZINC001504900221 1071830059 /nfs/dbraw/zinc/83/00/59/1071830059.db2.gz LHOOLCXOAFAYMM-GOSISDBHSA-N 1 2 460.554 1.348 20 0 JDADLO COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001504911326 1071866775 /nfs/dbraw/zinc/86/67/75/1071866775.db2.gz VHRUKDDTEWWEHI-ICACTRECSA-N 1 2 469.652 1.388 20 0 JDADLO CN(CCCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001503601275 1071878722 /nfs/dbraw/zinc/87/87/22/1071878722.db2.gz CBJORRQICLVQTI-GOSISDBHSA-N 1 2 452.625 1.402 20 0 JDADLO CN(CCCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001503601275 1071878724 /nfs/dbraw/zinc/87/87/24/1071878724.db2.gz CBJORRQICLVQTI-GOSISDBHSA-N 1 2 452.625 1.402 20 0 JDADLO CN(CCCS(C)(=O)=O)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503604449 1071885684 /nfs/dbraw/zinc/88/56/84/1071885684.db2.gz NQBYEKLVVPBMFS-UHFFFAOYSA-N 1 2 471.587 1.491 20 0 JDADLO COCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001504919085 1071888491 /nfs/dbraw/zinc/88/84/91/1071888491.db2.gz YAHVCODKXRDSHC-WOJBJXKFSA-N 1 2 476.025 1.954 20 0 JDADLO C[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1)Cc1ccc(F)cc1 ZINC001503613204 1071898807 /nfs/dbraw/zinc/89/88/07/1071898807.db2.gz WWTGEVPKBXAWTO-IBGZPJMESA-N 1 2 492.621 1.543 20 0 JDADLO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1)Cc1ccc(F)cc1 ZINC001503613204 1071898809 /nfs/dbraw/zinc/89/88/09/1071898809.db2.gz WWTGEVPKBXAWTO-IBGZPJMESA-N 1 2 492.621 1.543 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(C)(=O)=O ZINC001503618149 1071903931 /nfs/dbraw/zinc/90/39/31/1071903931.db2.gz FYRYKROHFJWIIK-UHFFFAOYSA-N 1 2 482.676 1.593 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001503618228 1071904144 /nfs/dbraw/zinc/90/41/44/1071904144.db2.gz GFUKAFABHFGMRG-MOPGFXCFSA-N 1 2 491.637 1.645 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1COCCO1 ZINC001503618257 1071904833 /nfs/dbraw/zinc/90/48/33/1071904833.db2.gz IMTXJRFXRMHAIN-GOSISDBHSA-N 1 2 466.380 1.891 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 ZINC001503618475 1071904942 /nfs/dbraw/zinc/90/49/42/1071904942.db2.gz IJHVFXKLRTYDBX-HXUWFJFHSA-N 1 2 494.637 1.782 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1CCn1cncn1 ZINC001503617753 1071902854 /nfs/dbraw/zinc/90/28/54/1071902854.db2.gz AULGQBFMMGLAKU-UHFFFAOYSA-N 1 2 461.368 1.768 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCCc1ccccc1 ZINC001503617692 1071903146 /nfs/dbraw/zinc/90/31/46/1071903146.db2.gz BFMJPBSDAWLZLH-OAQYLSRUSA-N 1 2 456.591 1.299 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCOCC1 ZINC001503617784 1071903354 /nfs/dbraw/zinc/90/33/54/1071903354.db2.gz BPZNGRYTUDHULE-UHFFFAOYSA-N 1 2 469.384 1.346 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001503618991 1071907270 /nfs/dbraw/zinc/90/72/70/1071907270.db2.gz BXFDWHNOIXBJAR-INIZCTEOSA-N 1 2 456.517 1.331 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)s2)n1Cc1ncn(C)n1 ZINC001503619612 1071909060 /nfs/dbraw/zinc/90/90/60/1071909060.db2.gz ZYQQLNRKUWTTIZ-UHFFFAOYSA-N 1 2 467.397 1.714 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001503619743 1071910109 /nfs/dbraw/zinc/91/01/09/1071910109.db2.gz UBJCVJPLVWBERC-NRFANRHFSA-N 1 2 477.631 1.934 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 ZINC001503620152 1071910971 /nfs/dbraw/zinc/91/09/71/1071910971.db2.gz YHLZLKXHCVZXFQ-INIZCTEOSA-N 1 2 481.399 1.047 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O ZINC001503620160 1071910987 /nfs/dbraw/zinc/91/09/87/1071910987.db2.gz YMUGFCYGCAYWMC-UHFFFAOYSA-N 1 2 475.638 1.890 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)(F)F)n1 ZINC001503620332 1071911438 /nfs/dbraw/zinc/91/14/38/1071911438.db2.gz VHRWDEKTIWLAIF-UHFFFAOYSA-N 1 2 450.469 1.909 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001503620404 1071911536 /nfs/dbraw/zinc/91/15/36/1071911536.db2.gz YHNBYFVULDJTJP-GOSISDBHSA-N 1 2 484.527 1.157 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001503620977 1071913739 /nfs/dbraw/zinc/91/37/39/1071913739.db2.gz JPWGAHHTUXTYMG-SFHVURJKSA-N 1 2 496.609 1.046 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001503620655 1071913050 /nfs/dbraw/zinc/91/30/50/1071913050.db2.gz FNCFUAJHXNPQFQ-HSZRJFAPSA-N 1 2 477.009 1.730 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001503621306 1071915441 /nfs/dbraw/zinc/91/54/41/1071915441.db2.gz NXOGUGAJGCBXOM-KRWDZBQOSA-N 1 2 473.544 1.053 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1OCCC1(C)C ZINC001503621761 1071917797 /nfs/dbraw/zinc/91/77/97/1071917797.db2.gz SQHRHVLQPNSJQY-SFHVURJKSA-N 1 2 462.620 1.853 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1Cc1c(F)cccc1OC(F)F ZINC001503621739 1071918026 /nfs/dbraw/zinc/91/80/26/1071918026.db2.gz SHOAHERDMWJMON-UHFFFAOYSA-N 1 2 482.507 1.958 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1Cl ZINC001503621976 1071918708 /nfs/dbraw/zinc/91/87/08/1071918708.db2.gz UEYBYGYULLCSAD-UHFFFAOYSA-N 1 2 463.970 1.296 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001503620975 1071914033 /nfs/dbraw/zinc/91/40/33/1071914033.db2.gz JPWGAHHTUXTYMG-GOSISDBHSA-N 1 2 496.609 1.046 20 0 JDADLO COCCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001504928161 1071926032 /nfs/dbraw/zinc/92/60/32/1071926032.db2.gz XKBVUFVMWIMIHN-SFHVURJKSA-N 1 2 476.553 1.012 20 0 JDADLO COCCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001504928158 1071926356 /nfs/dbraw/zinc/92/63/56/1071926356.db2.gz XKBVUFVMWIMIHN-GOSISDBHSA-N 1 2 476.553 1.012 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001503623840 1071929112 /nfs/dbraw/zinc/92/91/12/1071929112.db2.gz JMFFFCCMRDTICX-LJQANCHMSA-N 1 2 477.635 1.939 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(C2CCC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001503624400 1071931057 /nfs/dbraw/zinc/93/10/57/1071931057.db2.gz UJJIGYODGJJIOC-HXUWFJFHSA-N 1 2 462.620 1.605 20 0 JDADLO CN(CCOC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001503624529 1071932645 /nfs/dbraw/zinc/93/26/45/1071932645.db2.gz BHPHPPWKJJVEMT-HSZRJFAPSA-N 1 2 480.679 1.973 20 0 JDADLO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503626987 1071936168 /nfs/dbraw/zinc/93/61/68/1071936168.db2.gz MDPOECUVJJACID-LJQANCHMSA-N 1 2 492.646 1.711 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001504931495 1071938343 /nfs/dbraw/zinc/93/83/43/1071938343.db2.gz CPRSWYGDDIRREQ-HSZRJFAPSA-N 1 2 470.618 1.947 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001504932926 1071945205 /nfs/dbraw/zinc/94/52/05/1071945205.db2.gz LDDGNWTYOOGWOG-UHFFFAOYSA-N 1 2 483.617 1.829 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001504934363 1071951202 /nfs/dbraw/zinc/95/12/02/1071951202.db2.gz WVAWGQLWZGOHEG-SLFFLAALSA-N 1 2 450.628 1.565 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001504934912 1071954748 /nfs/dbraw/zinc/95/47/48/1071954748.db2.gz VZKSJRXGGTXXPV-MTQWCTHYSA-N 1 2 464.611 1.218 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001504934912 1071954753 /nfs/dbraw/zinc/95/47/53/1071954753.db2.gz VZKSJRXGGTXXPV-MTQWCTHYSA-N 1 2 464.611 1.218 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001504938182 1071972525 /nfs/dbraw/zinc/97/25/25/1071972525.db2.gz OXMKZAGQTJRSJK-HXUWFJFHSA-N 1 2 478.638 1.610 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001504938182 1071972538 /nfs/dbraw/zinc/97/25/38/1071972538.db2.gz OXMKZAGQTJRSJK-HXUWFJFHSA-N 1 2 478.638 1.610 20 0 JDADLO Cn1cc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCCC(F)(F)F)cn1 ZINC001503650130 1071974148 /nfs/dbraw/zinc/97/41/48/1071974148.db2.gz HYTXMRBVEHKVFO-UHFFFAOYSA-N 1 2 454.501 1.766 20 0 JDADLO COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001504942930 1071985604 /nfs/dbraw/zinc/98/56/04/1071985604.db2.gz RPMRPGOPZOYUCG-WIYYLYMNSA-N 1 2 477.631 1.684 20 0 JDADLO COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001504942930 1071985605 /nfs/dbraw/zinc/98/56/05/1071985605.db2.gz RPMRPGOPZOYUCG-WIYYLYMNSA-N 1 2 477.631 1.684 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504948805 1071991980 /nfs/dbraw/zinc/99/19/80/1071991980.db2.gz DKLYFVHEADNBGG-PNCHPQGNSA-N 1 2 460.579 1.896 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504948091 1071991176 /nfs/dbraw/zinc/99/11/76/1071991176.db2.gz BABVMJTYUBNEOI-YOSAUDMPSA-N 1 2 481.638 1.887 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001504958546 1072003385 /nfs/dbraw/zinc/00/33/85/1072003385.db2.gz OFGUZXNBGFGRER-HKUYNNGSSA-N 1 2 457.579 1.747 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001504973814 1072025232 /nfs/dbraw/zinc/02/52/32/1072025232.db2.gz KSTKVPDCGMHVHU-QGZVFWFLSA-N 1 2 492.646 1.993 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001504973811 1072025331 /nfs/dbraw/zinc/02/53/31/1072025331.db2.gz KSTKVPDCGMHVHU-KRWDZBQOSA-N 1 2 492.646 1.993 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001504984964 1072034829 /nfs/dbraw/zinc/03/48/29/1072034829.db2.gz SJAXVJJUFRCZLX-IBGZPJMESA-N 1 2 487.605 1.341 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504984280 1072034288 /nfs/dbraw/zinc/03/42/88/1072034288.db2.gz UAJZRPQDBSPTDA-RBBKRZOGSA-N 1 2 488.637 1.513 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504984282 1072034471 /nfs/dbraw/zinc/03/44/71/1072034471.db2.gz UAJZRPQDBSPTDA-UNMCSNQZSA-N 1 2 488.637 1.513 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504984278 1072034510 /nfs/dbraw/zinc/03/45/10/1072034510.db2.gz UAJZRPQDBSPTDA-IRLDBZIGSA-N 1 2 488.637 1.513 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001503695820 1072034654 /nfs/dbraw/zinc/03/46/54/1072034654.db2.gz UWDXZIRHHVQGDJ-LJQANCHMSA-N 1 2 457.627 1.056 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCc1cn2ccccc2[nH+]1 ZINC001504985934 1072036038 /nfs/dbraw/zinc/03/60/38/1072036038.db2.gz BORIKMCHUFDBEV-MSOLQXFVSA-N 1 2 455.563 1.950 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001504987659 1072040661 /nfs/dbraw/zinc/04/06/61/1072040661.db2.gz KRODYGUPMNCDGB-ROUUACIJSA-N 1 2 457.641 1.890 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C)nc1 ZINC001504988036 1072041837 /nfs/dbraw/zinc/04/18/37/1072041837.db2.gz MDJKACGINWJXMF-SFTDATJTSA-N 1 2 485.633 1.887 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001504990685 1072049477 /nfs/dbraw/zinc/04/94/77/1072049477.db2.gz XDHMMBOZDJEWNK-KRWDZBQOSA-N 1 2 457.641 1.747 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001504990687 1072049722 /nfs/dbraw/zinc/04/97/22/1072049722.db2.gz XDHMMBOZDJEWNK-QGZVFWFLSA-N 1 2 457.641 1.747 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@H]1COCCO1 ZINC001504993894 1072061103 /nfs/dbraw/zinc/06/11/03/1072061103.db2.gz FTMZNXNYFUDXIA-RXVVDRJESA-N 1 2 463.554 1.879 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001504995853 1072066351 /nfs/dbraw/zinc/06/63/51/1072066351.db2.gz VYRWZSAQCHNMLC-QZTJIDSGSA-N 1 2 457.579 1.638 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001504997569 1072071546 /nfs/dbraw/zinc/07/15/46/1072071546.db2.gz YIWDDMDLBOFZET-HSALFYBXSA-N 1 2 485.651 1.128 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001504999782 1072077251 /nfs/dbraw/zinc/07/72/51/1072077251.db2.gz FCMOPALECCUCEN-QGZVFWFLSA-N 1 2 460.560 1.471 20 0 JDADLO COCCO[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001505046202 1072143191 /nfs/dbraw/zinc/14/31/91/1072143191.db2.gz SNUHGYMDCBTBTL-RTWAWAEBSA-N 1 2 461.611 1.492 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(=O)OC)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001505066921 1072170343 /nfs/dbraw/zinc/17/03/43/1072170343.db2.gz DNYZFFJNCZJFBQ-WDSOQIARSA-N 1 2 451.568 1.112 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(=O)OC)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001505066921 1072170350 /nfs/dbraw/zinc/17/03/50/1072170350.db2.gz DNYZFFJNCZJFBQ-WDSOQIARSA-N 1 2 451.568 1.112 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](OC)C(C)(C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001505066034 1072168119 /nfs/dbraw/zinc/16/81/19/1072168119.db2.gz NEDDBCIQIFKUCS-FHWLQOOXSA-N 1 2 451.612 1.974 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](OC)C(C)(C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001505066034 1072168124 /nfs/dbraw/zinc/16/81/24/1072168124.db2.gz NEDDBCIQIFKUCS-FHWLQOOXSA-N 1 2 451.612 1.974 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCCNC(C)=O ZINC001505071097 1072179470 /nfs/dbraw/zinc/17/94/70/1072179470.db2.gz RXWGSLKPHXDMMA-ICSRJNTNSA-N 1 2 457.579 1.552 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001505075843 1072189255 /nfs/dbraw/zinc/18/92/55/1072189255.db2.gz JAKJUUOIJIGFJN-ZCNNSNEGSA-N 1 2 467.636 1.668 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001505075843 1072189273 /nfs/dbraw/zinc/18/92/73/1072189273.db2.gz JAKJUUOIJIGFJN-ZCNNSNEGSA-N 1 2 467.636 1.668 20 0 JDADLO CON(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505093623 1072231682 /nfs/dbraw/zinc/23/16/82/1072231682.db2.gz ULVDYYPVFMSRST-SFHVURJKSA-N 1 2 465.599 1.554 20 0 JDADLO CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001505096142 1072232870 /nfs/dbraw/zinc/23/28/70/1072232870.db2.gz ZNINZPBSTIDHES-YQQAZPJKSA-N 1 2 488.611 1.283 20 0 JDADLO CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001505096142 1072232881 /nfs/dbraw/zinc/23/28/81/1072232881.db2.gz ZNINZPBSTIDHES-YQQAZPJKSA-N 1 2 488.611 1.283 20 0 JDADLO CO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001505099804 1072234968 /nfs/dbraw/zinc/23/49/68/1072234968.db2.gz RNNKAPRIAVWXKA-CKEIUWERSA-N 1 2 472.562 1.695 20 0 JDADLO CO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001505115016 1072254850 /nfs/dbraw/zinc/25/48/50/1072254850.db2.gz YOLAVUZACCKOHS-YRXWBPOGSA-N 1 2 464.611 1.995 20 0 JDADLO CO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001505115016 1072254874 /nfs/dbraw/zinc/25/48/74/1072254874.db2.gz YOLAVUZACCKOHS-YRXWBPOGSA-N 1 2 464.611 1.995 20 0 JDADLO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1OC ZINC001505118684 1072260515 /nfs/dbraw/zinc/26/05/15/1072260515.db2.gz IVRISWUSPRCZHC-CALCHBBNSA-N 1 2 471.587 1.629 20 0 JDADLO CS(=O)(=O)[C@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)C1 ZINC001505122779 1072274926 /nfs/dbraw/zinc/27/49/26/1072274926.db2.gz ABHGMIGWJWRRQT-DLBZAZTESA-N 1 2 461.592 1.530 20 0 JDADLO CS(=O)(=O)[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)C1 ZINC001505128926 1072292974 /nfs/dbraw/zinc/29/29/74/1072292974.db2.gz HYNKRCNXCOZATM-SJORKVTESA-N 1 2 482.632 1.091 20 0 JDADLO CS(=O)(=O)CCN(c1nnc(Cc2cccnc2)n1CC[NH+]1CCSCC1)C1CC1 ZINC001505133129 1072307987 /nfs/dbraw/zinc/30/79/87/1072307987.db2.gz DJWGNLDKKUWWTJ-UHFFFAOYSA-N 1 2 450.634 1.326 20 0 JDADLO CS(=O)(=O)CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1)C1CC1 ZINC001505133673 1072310391 /nfs/dbraw/zinc/31/03/91/1072310391.db2.gz WYLZBQMULNVOOT-KRWDZBQOSA-N 1 2 473.665 1.070 20 0 JDADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC001464727845 1067638879 /nfs/dbraw/zinc/63/88/79/1067638879.db2.gz MBVDKGUGRKDVAK-IBGZPJMESA-N 1 2 451.589 1.068 20 0 JDADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC001464727845 1067638886 /nfs/dbraw/zinc/63/88/86/1067638886.db2.gz MBVDKGUGRKDVAK-IBGZPJMESA-N 1 2 451.589 1.068 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3c4c[nH]nc4CC[C@H]3C)cc2)CC1 ZINC001464747969 1067647072 /nfs/dbraw/zinc/64/70/72/1067647072.db2.gz NRRMKYZLTUEXFA-HOYKHHGWSA-N 1 2 453.587 1.977 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3c4c[nH]nc4CC[C@@H]3C)cc2)CC1 ZINC001464747977 1067647153 /nfs/dbraw/zinc/64/71/53/1067647153.db2.gz NRRMKYZLTUEXFA-UUOWRZLLSA-N 1 2 453.587 1.977 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3c4c[nH]nc4CC[C@H]3C)cc2)CC1 ZINC001464747972 1067647393 /nfs/dbraw/zinc/64/73/93/1067647393.db2.gz NRRMKYZLTUEXFA-KOSHJBKYSA-N 1 2 453.587 1.977 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3cnc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC001464751505 1067648532 /nfs/dbraw/zinc/64/85/32/1067648532.db2.gz ZKTOJDNHDBSGOW-UHFFFAOYSA-N 1 2 452.515 1.179 20 0 JDADLO O=c1[nH]c2ccc(S(=O)(=O)NCCc3cn(Cc4ccc(Cl)cc4)c[nH+]3)cc2[nH]c1=O ZINC001464851629 1067676586 /nfs/dbraw/zinc/67/65/86/1067676586.db2.gz RQURPHYLITWLHB-UHFFFAOYSA-N 1 2 459.915 1.636 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)n[nH]2)C1 ZINC001464871316 1067679937 /nfs/dbraw/zinc/67/99/37/1067679937.db2.gz PEYVHSDLCPBVIO-INIZCTEOSA-N 1 2 459.551 1.915 20 0 JDADLO CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ccc1F ZINC001464887545 1067684822 /nfs/dbraw/zinc/68/48/22/1067684822.db2.gz AGJTWTRPACFJSC-UHFFFAOYSA-N 1 2 454.568 1.283 20 0 JDADLO CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ccc1F ZINC001464887545 1067684846 /nfs/dbraw/zinc/68/48/46/1067684846.db2.gz AGJTWTRPACFJSC-UHFFFAOYSA-N 1 2 454.568 1.283 20 0 JDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)CC1 ZINC001464899308 1067690603 /nfs/dbraw/zinc/69/06/03/1067690603.db2.gz ZEJIPVMYQXGZIU-UHFFFAOYSA-N 1 2 456.547 1.363 20 0 JDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)CC1 ZINC001464899308 1067690605 /nfs/dbraw/zinc/69/06/05/1067690605.db2.gz ZEJIPVMYQXGZIU-UHFFFAOYSA-N 1 2 456.547 1.363 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(I)ccc2O)CC1 ZINC001464904489 1067694589 /nfs/dbraw/zinc/69/45/89/1067694589.db2.gz JWEVHFBOMLWTGJ-UHFFFAOYSA-N 1 2 452.314 1.236 20 0 JDADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001464905476 1067695551 /nfs/dbraw/zinc/69/55/51/1067695551.db2.gz GUTLGVVYBUUBJS-JEWRLFTDSA-N 1 2 454.593 1.172 20 0 JDADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001464905471 1067695605 /nfs/dbraw/zinc/69/56/05/1067695605.db2.gz GUTLGVVYBUUBJS-CYJAXWMASA-N 1 2 454.593 1.172 20 0 JDADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001464905471 1067695620 /nfs/dbraw/zinc/69/56/20/1067695620.db2.gz GUTLGVVYBUUBJS-CYJAXWMASA-N 1 2 454.593 1.172 20 0 JDADLO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(I)c(O)c3)CC2)CC1 ZINC001464907875 1067697185 /nfs/dbraw/zinc/69/71/85/1067697185.db2.gz LZGUFVJWDAQAOA-UHFFFAOYSA-N 1 2 458.300 1.122 20 0 JDADLO Cc1cccc(NC(=O)NCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC001464950440 1067710591 /nfs/dbraw/zinc/71/05/91/1067710591.db2.gz KSRNKUDYUNLKGD-LJQANCHMSA-N 1 2 453.547 1.528 20 0 JDADLO Cc1cccc(NC(=O)NCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC001464950440 1067710599 /nfs/dbraw/zinc/71/05/99/1067710599.db2.gz KSRNKUDYUNLKGD-LJQANCHMSA-N 1 2 453.547 1.528 20 0 JDADLO Cc1cc(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc(C)[nH+]1 ZINC001464959188 1067713973 /nfs/dbraw/zinc/71/39/73/1067713973.db2.gz NVMMIOUZAPVQPK-KRWDZBQOSA-N 1 2 452.558 1.486 20 0 JDADLO CON(C)S(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc1 ZINC001464970717 1067717603 /nfs/dbraw/zinc/71/76/03/1067717603.db2.gz UFTLQUFUFVQGSR-UHFFFAOYSA-N 1 2 456.565 1.796 20 0 JDADLO CN(C)C(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC001464980871 1067719617 /nfs/dbraw/zinc/71/96/17/1067719617.db2.gz SRVQUUIBKXCPBH-LJQANCHMSA-N 1 2 453.547 1.806 20 0 JDADLO CN(C)C(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC001464980871 1067719624 /nfs/dbraw/zinc/71/96/24/1067719624.db2.gz SRVQUUIBKXCPBH-LJQANCHMSA-N 1 2 453.547 1.806 20 0 JDADLO COc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001464987037 1067720609 /nfs/dbraw/zinc/72/06/09/1067720609.db2.gz FUTHJMGNRPVINW-QGZVFWFLSA-N 1 2 453.609 1.627 20 0 JDADLO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001465000076 1067724029 /nfs/dbraw/zinc/72/40/29/1067724029.db2.gz BBTDCPISVKUKSF-LPHOPBHVSA-N 1 2 455.625 1.872 20 0 JDADLO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001465000076 1067724040 /nfs/dbraw/zinc/72/40/40/1067724040.db2.gz BBTDCPISVKUKSF-LPHOPBHVSA-N 1 2 455.625 1.872 20 0 JDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001465006745 1067727720 /nfs/dbraw/zinc/72/77/20/1067727720.db2.gz UBUOGFZGFVLFAI-UHFFFAOYSA-N 1 2 459.572 1.476 20 0 JDADLO CCOc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC001465052086 1067734303 /nfs/dbraw/zinc/73/43/03/1067734303.db2.gz ROXPRKWHQDMTEJ-QGZVFWFLSA-N 1 2 453.609 1.627 20 0 JDADLO C[C@@H](NC(=O)CCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(=O)c1ccc(Br)cc1 ZINC001465080461 1067740606 /nfs/dbraw/zinc/74/06/06/1067740606.db2.gz ZIEADCKBKQAEEZ-RHSMWYFYSA-N 1 2 453.381 1.279 20 0 JDADLO C[C@@H](NC(=O)CCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(=O)c1ccc(Br)cc1 ZINC001465080461 1067740619 /nfs/dbraw/zinc/74/06/19/1067740619.db2.gz ZIEADCKBKQAEEZ-RHSMWYFYSA-N 1 2 453.381 1.279 20 0 JDADLO C[C@@H]1CN(Cc2csc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)n2)C[C@H](C)O1 ZINC001465161344 1067755410 /nfs/dbraw/zinc/75/54/10/1067755410.db2.gz IQFDZJCTSQVGJL-GASCZTMLSA-N 1 2 459.638 1.383 20 0 JDADLO NC(=O)c1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)C3CCCCC3)CC2)cc1 ZINC001465291688 1067772933 /nfs/dbraw/zinc/77/29/33/1067772933.db2.gz HEXVMSADWHOLIA-NRFANRHFSA-N 1 2 452.559 1.465 20 0 JDADLO NC(=O)c1ccc(N2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)C3CCCCC3)CC2)cc1 ZINC001465291688 1067772945 /nfs/dbraw/zinc/77/29/45/1067772945.db2.gz HEXVMSADWHOLIA-NRFANRHFSA-N 1 2 452.559 1.465 20 0 JDADLO C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC001465307707 1067777090 /nfs/dbraw/zinc/77/70/90/1067777090.db2.gz JVNSOFVAUCAECJ-BWKNWUBXSA-N 1 2 450.539 1.513 20 0 JDADLO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1=O ZINC001465308116 1067777345 /nfs/dbraw/zinc/77/73/45/1067777345.db2.gz WVQVFSYNTWOTGM-HXUWFJFHSA-N 1 2 450.539 1.243 20 0 JDADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1=O ZINC001465312016 1067777974 /nfs/dbraw/zinc/77/79/74/1067777974.db2.gz ZAKVUVMBRPYHEH-MZNJEOGPSA-N 1 2 451.527 1.763 20 0 JDADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](C)Cn3cc[nH+]c3)CC2)o1 ZINC001465314070 1067778529 /nfs/dbraw/zinc/77/85/29/1067778529.db2.gz IZEDDCHNPLTXEU-HNNXBMFYSA-N 1 2 452.533 1.506 20 0 JDADLO COc1cc(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(SC)cc1OC ZINC001465323838 1067780725 /nfs/dbraw/zinc/78/07/25/1067780725.db2.gz ZIPJYFDACLNJND-KRWDZBQOSA-N 1 2 451.589 1.565 20 0 JDADLO CC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001465371901 1067788371 /nfs/dbraw/zinc/78/83/71/1067788371.db2.gz WHPMRDVGQJWGBE-UHFFFAOYSA-N 1 2 453.547 1.806 20 0 JDADLO CC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001465371901 1067788387 /nfs/dbraw/zinc/78/83/87/1067788387.db2.gz WHPMRDVGQJWGBE-UHFFFAOYSA-N 1 2 453.547 1.806 20 0 JDADLO COc1ccc(-c2nc(C)sc2CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001465379103 1067790218 /nfs/dbraw/zinc/79/02/18/1067790218.db2.gz GOTMKWOHVXBOJY-GOSISDBHSA-N 1 2 458.584 1.719 20 0 JDADLO O=C(CCSc1ccccc1Br)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379600 1067790909 /nfs/dbraw/zinc/79/09/09/1067790909.db2.gz PJPOTXNVBULCEM-OAHLLOKOSA-N 1 2 456.406 1.981 20 0 JDADLO O=C(c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001465486118 1067804863 /nfs/dbraw/zinc/80/48/63/1067804863.db2.gz GQOYAHYRMZYTJD-LJQANCHMSA-N 1 2 459.568 1.665 20 0 JDADLO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC001465528263 1067807943 /nfs/dbraw/zinc/80/79/43/1067807943.db2.gz NNUSGZYBKVUXER-GGPKGHCWSA-N 1 2 451.589 1.421 20 0 JDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCCN1C(=O)COc2ccccc21 ZINC001465567632 1067811659 /nfs/dbraw/zinc/81/16/59/1067811659.db2.gz IESQCYGGYZHUMH-UHFFFAOYSA-N 1 2 451.527 1.442 20 0 JDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001465702321 1067821462 /nfs/dbraw/zinc/82/14/62/1067821462.db2.gz GUHUFQLDOROOQA-JPYJTQIMSA-N 1 2 455.596 1.070 20 0 JDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001465702828 1067821588 /nfs/dbraw/zinc/82/15/88/1067821588.db2.gz QWWRDTTZRLYUAC-IYWMVGAKSA-N 1 2 455.596 1.333 20 0 JDADLO COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001465710080 1067822422 /nfs/dbraw/zinc/82/24/22/1067822422.db2.gz YASYUDYHDOQXPB-UHFFFAOYSA-N 1 2 456.565 1.342 20 0 JDADLO COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001465710080 1067822423 /nfs/dbraw/zinc/82/24/23/1067822423.db2.gz YASYUDYHDOQXPB-UHFFFAOYSA-N 1 2 456.565 1.342 20 0 JDADLO CCc1cc(N2CCC(NC(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)ncn1 ZINC001465732994 1067824310 /nfs/dbraw/zinc/82/43/10/1067824310.db2.gz ZXVUQJKZYDZOBU-UHFFFAOYSA-N 1 2 451.575 1.648 20 0 JDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001465741759 1067825195 /nfs/dbraw/zinc/82/51/95/1067825195.db2.gz OTAKETDSLQRPKT-SFHVURJKSA-N 1 2 450.902 1.935 20 0 JDADLO COc1cc(C(=O)N2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)ccc1C ZINC001465740004 1067825212 /nfs/dbraw/zinc/82/52/12/1067825212.db2.gz SFDWUYMEZXEYSE-UHFFFAOYSA-N 1 2 456.547 1.522 20 0 JDADLO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781760 1067829551 /nfs/dbraw/zinc/82/95/51/1067829551.db2.gz FBRPATVHFXVANL-OAHLLOKOSA-N 1 2 458.556 1.161 20 0 JDADLO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781760 1067829552 /nfs/dbraw/zinc/82/95/52/1067829552.db2.gz FBRPATVHFXVANL-OAHLLOKOSA-N 1 2 458.556 1.161 20 0 JDADLO Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001465782377 1067829789 /nfs/dbraw/zinc/82/97/89/1067829789.db2.gz VGXMHEYYKJYAGN-KRWDZBQOSA-N 1 2 454.593 1.249 20 0 JDADLO Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001465782377 1067829792 /nfs/dbraw/zinc/82/97/92/1067829792.db2.gz VGXMHEYYKJYAGN-KRWDZBQOSA-N 1 2 454.593 1.249 20 0 JDADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC001465786050 1067830468 /nfs/dbraw/zinc/83/04/68/1067830468.db2.gz ZQSVDEMYPDEHLJ-WBVHZDCISA-N 1 2 450.511 1.836 20 0 JDADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 ZINC001465834059 1067835159 /nfs/dbraw/zinc/83/51/59/1067835159.db2.gz BQNAAMZMWSBSJA-DRSNIGMVSA-N 1 2 466.604 1.483 20 0 JDADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC001465834930 1067835435 /nfs/dbraw/zinc/83/54/35/1067835435.db2.gz VPEOZANCZUHNDM-MRXNPFEDSA-N 1 2 452.602 1.661 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC001465852785 1067836522 /nfs/dbraw/zinc/83/65/22/1067836522.db2.gz OFCHFHANQBMELT-IBGZPJMESA-N 1 2 453.605 1.589 20 0 JDADLO O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001465852892 1067836590 /nfs/dbraw/zinc/83/65/90/1067836590.db2.gz QTMBAQPBEPOCOL-CQSZACIVSA-N 1 2 457.428 1.989 20 0 JDADLO O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001465852891 1067836627 /nfs/dbraw/zinc/83/66/27/1067836627.db2.gz QTMBAQPBEPOCOL-AWEZNQCLSA-N 1 2 457.428 1.989 20 0 JDADLO CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cn1 ZINC001465857299 1067837161 /nfs/dbraw/zinc/83/71/61/1067837161.db2.gz SMMVXTNFYNKKNP-INIZCTEOSA-N 1 2 452.556 1.854 20 0 JDADLO CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cn1 ZINC001465857299 1067837167 /nfs/dbraw/zinc/83/71/67/1067837167.db2.gz SMMVXTNFYNKKNP-INIZCTEOSA-N 1 2 452.556 1.854 20 0 JDADLO COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCO1 ZINC001465871866 1067838350 /nfs/dbraw/zinc/83/83/50/1067838350.db2.gz RPPNPHVVFNLLFN-QFIPXVFZSA-N 1 2 450.536 1.818 20 0 JDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC001465869294 1067838409 /nfs/dbraw/zinc/83/84/09/1067838409.db2.gz AZFVMNVXZGJQTE-UHFFFAOYSA-N 1 2 452.559 1.693 20 0 JDADLO COC(=O)c1cccc(NC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC001465878719 1067838764 /nfs/dbraw/zinc/83/87/64/1067838764.db2.gz CYCQSKORYJPMEO-IBGZPJMESA-N 1 2 458.559 1.057 20 0 JDADLO Cc1cc(NC(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)c(C)c[nH+]1 ZINC001465949003 1067845854 /nfs/dbraw/zinc/84/58/54/1067845854.db2.gz XJEANLMJWTUDBR-UHFFFAOYSA-N 1 2 456.546 1.046 20 0 JDADLO Cc1c(NC(=O)CSCC(=O)N(C)CCCn2cc[nH+]c2)c(=O)n(-c2ccccc2)n1C ZINC001465986605 1067849349 /nfs/dbraw/zinc/84/93/49/1067849349.db2.gz OKEAAPSKFUKFAV-UHFFFAOYSA-N 1 2 456.572 1.901 20 0 JDADLO Cc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1S(=O)(=O)NC1CC1 ZINC001466037928 1067852456 /nfs/dbraw/zinc/85/24/56/1067852456.db2.gz RCYYPPFUPQNQBB-HXUWFJFHSA-N 1 2 454.618 1.765 20 0 JDADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001466146753 1067864374 /nfs/dbraw/zinc/86/43/74/1067864374.db2.gz UVFKQMYEYWSAEQ-KXBFYZLASA-N 1 2 452.602 1.868 20 0 JDADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C ZINC001466152115 1067865036 /nfs/dbraw/zinc/86/50/36/1067865036.db2.gz YUACCFTYPYMGQJ-PKOBYXMFSA-N 1 2 459.572 1.006 20 0 JDADLO CC(C)(C)[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC001466228325 1067871248 /nfs/dbraw/zinc/87/12/48/1067871248.db2.gz VOWPFBKTVRHAGU-HNNXBMFYSA-N 1 2 451.515 1.810 20 0 JDADLO CNS(=O)(=O)c1cc(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)ccc1F ZINC001466266673 1067873395 /nfs/dbraw/zinc/87/33/95/1067873395.db2.gz CVPWGQWHGBWSHU-UHFFFAOYSA-N 1 2 451.520 1.579 20 0 JDADLO CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC001466274808 1067874498 /nfs/dbraw/zinc/87/44/98/1067874498.db2.gz UMRVRPACJURIFM-SAPNQHFASA-N 1 2 452.577 1.356 20 0 JDADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001466303154 1067877787 /nfs/dbraw/zinc/87/77/87/1067877787.db2.gz ODSOTMPKZCNBLT-SJORKVTESA-N 1 2 451.470 1.789 20 0 JDADLO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001466304437 1067877840 /nfs/dbraw/zinc/87/78/40/1067877840.db2.gz VDLUQZHEHZPMPS-HNNXBMFYSA-N 1 2 454.453 1.589 20 0 JDADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001466305190 1067878027 /nfs/dbraw/zinc/87/80/27/1067878027.db2.gz YAPAVCRBKXGDBM-NRFANRHFSA-N 1 2 457.552 1.675 20 0 JDADLO COc1cc(C(=O)CCC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc(OC)c1OC ZINC001466341897 1067880069 /nfs/dbraw/zinc/88/00/69/1067880069.db2.gz IEOWVFLTEWNQII-UHFFFAOYSA-N 1 2 450.532 1.361 20 0 JDADLO COCCNS(=O)(=O)c1cc(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)ccc1OC ZINC001466400431 1067883006 /nfs/dbraw/zinc/88/30/06/1067883006.db2.gz PLLLQVVNZNFUQY-UHFFFAOYSA-N 1 2 451.549 1.765 20 0 JDADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CNS(=O)(=O)c2ccccc2F)c2ccc(Cl)cc2)C1 ZINC001466561293 1067892764 /nfs/dbraw/zinc/89/27/64/1067892764.db2.gz BYEMFCPTVHLNJZ-XLIONFOSSA-N 1 2 455.939 1.946 20 0 JDADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CNS(=O)(=O)c2ccccc2F)c2ccc(Cl)cc2)C1 ZINC001466561293 1067892765 /nfs/dbraw/zinc/89/27/65/1067892765.db2.gz BYEMFCPTVHLNJZ-XLIONFOSSA-N 1 2 455.939 1.946 20 0 JDADLO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC001466748448 1067913463 /nfs/dbraw/zinc/91/34/63/1067913463.db2.gz STHGEDATPJZRSX-IBGZPJMESA-N 1 2 451.633 1.981 20 0 JDADLO CN1CC[NH+](CC2(C)CCN(C(=O)c3cnc(I)c(O)c3)CC2)CC1 ZINC001466750617 1067914302 /nfs/dbraw/zinc/91/43/02/1067914302.db2.gz RNRSRCIHRFNCEH-UHFFFAOYSA-N 1 2 458.344 1.882 20 0 JDADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)[nH+]c12 ZINC001466758643 1067915412 /nfs/dbraw/zinc/91/54/12/1067915412.db2.gz FLYMZQLWDVJXNT-UHFFFAOYSA-N 1 2 454.350 1.956 20 0 JDADLO Cc1nc(N2CCN(C(=O)CCn3cnc4ccc(Br)cc4c3=O)CC2)cc[nH+]1 ZINC001466758354 1067915799 /nfs/dbraw/zinc/91/57/99/1067915799.db2.gz AKLWIHCOLXGHTJ-UHFFFAOYSA-N 1 2 457.332 1.996 20 0 JDADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001466851836 1067933685 /nfs/dbraw/zinc/93/36/85/1067933685.db2.gz XSHVKKSBWAVULM-MJGOQNOKSA-N 1 2 452.552 1.647 20 0 JDADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001467318404 1068002232 /nfs/dbraw/zinc/00/22/32/1068002232.db2.gz VLFHLMPIEIGNGF-CABCVRRESA-N 1 2 450.586 1.419 20 0 JDADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001467318409 1068002372 /nfs/dbraw/zinc/00/23/72/1068002372.db2.gz VLFHLMPIEIGNGF-LSDHHAIUSA-N 1 2 450.586 1.419 20 0 JDADLO C[NH+](C)[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)COc2ccccc2C1 ZINC001467382681 1068010054 /nfs/dbraw/zinc/01/00/54/1068010054.db2.gz IPUXXNUSVCIUAF-HXUWFJFHSA-N 1 2 455.939 1.809 20 0 JDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(F)c(N2C(=O)CNC2=O)c1 ZINC001467465027 1068019713 /nfs/dbraw/zinc/01/97/13/1068019713.db2.gz IFYOUNROGCWNSV-UHFFFAOYSA-N 1 2 454.462 1.344 20 0 JDADLO CN(CC[NH+]1CCOCC1)C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C ZINC001467524831 1068026996 /nfs/dbraw/zinc/02/69/96/1068026996.db2.gz XESPKAJVNHNAMF-UHFFFAOYSA-N 1 2 451.572 1.147 20 0 JDADLO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001467583980 1068032652 /nfs/dbraw/zinc/03/26/52/1068032652.db2.gz XZRSSTXLFRVLEZ-LUKWVAJMSA-N 1 2 458.603 1.729 20 0 JDADLO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001467583980 1068032661 /nfs/dbraw/zinc/03/26/61/1068032661.db2.gz XZRSSTXLFRVLEZ-LUKWVAJMSA-N 1 2 458.603 1.729 20 0 JDADLO CN(C)c1n[nH]c(CNC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)n1 ZINC001467641290 1068040817 /nfs/dbraw/zinc/04/08/17/1068040817.db2.gz MLRITBIPUSZAQH-UHFFFAOYSA-N 1 2 453.526 1.731 20 0 JDADLO Cn1nccc1[C@@H](O)CNC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001467640434 1068041015 /nfs/dbraw/zinc/04/10/15/1068041015.db2.gz GCYLMHXJTNKVKB-NRFANRHFSA-N 1 2 453.522 1.814 20 0 JDADLO Cn1nccc1[C@H](O)CNC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001467640436 1068041060 /nfs/dbraw/zinc/04/10/60/1068041060.db2.gz GCYLMHXJTNKVKB-OAQYLSRUSA-N 1 2 453.522 1.814 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1(Cc2ccccc2)CCC1 ZINC001467646158 1068042894 /nfs/dbraw/zinc/04/28/94/1068042894.db2.gz GMDCZRPZHGOXIJ-UHFFFAOYSA-N 1 2 457.600 1.998 20 0 JDADLO CC1(C)C[C@@H](CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)(C)O1 ZINC001467647275 1068043931 /nfs/dbraw/zinc/04/39/31/1068043931.db2.gz RQFPZRBBFKOYIA-KRWDZBQOSA-N 1 2 453.609 1.426 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001467646544 1068044010 /nfs/dbraw/zinc/04/40/10/1068044010.db2.gz JJGJXXCRUJRGSW-SFTDATJTSA-N 1 2 473.599 1.405 20 0 JDADLO COC1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCCC1 ZINC001467646819 1068044041 /nfs/dbraw/zinc/04/40/41/1068044041.db2.gz LRBHZMWZHNEEKC-UHFFFAOYSA-N 1 2 453.609 1.572 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001467646989 1068044261 /nfs/dbraw/zinc/04/42/61/1068044261.db2.gz NTFDQFZVBDBIJL-MOPGFXCFSA-N 1 2 451.593 1.277 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC001467647829 1068044502 /nfs/dbraw/zinc/04/45/02/1068044502.db2.gz XPYMXNIFCIOJCX-QUCCMNQESA-N 1 2 451.593 1.038 20 0 JDADLO CSC1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC001467647724 1068045015 /nfs/dbraw/zinc/04/50/15/1068045015.db2.gz WEKZTYBTWGQLFE-UHFFFAOYSA-N 1 2 455.650 1.899 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC001467647832 1068045330 /nfs/dbraw/zinc/04/53/30/1068045330.db2.gz XPYMXNIFCIOJCX-UYAOXDASSA-N 1 2 451.593 1.038 20 0 JDADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC001467680811 1068051258 /nfs/dbraw/zinc/05/12/58/1068051258.db2.gz OOPABQQHMJZVQB-NVXWUHKLSA-N 1 2 459.996 1.590 20 0 JDADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001467879082 1068083091 /nfs/dbraw/zinc/08/30/91/1068083091.db2.gz IULTUMLVLYZNNB-MSOLQXFVSA-N 1 2 458.625 1.202 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3COCCN3CC(F)(F)F)C2)CC1 ZINC001467880038 1068083462 /nfs/dbraw/zinc/08/34/62/1068083462.db2.gz OJTHXKJAJNEZOO-CVEARBPZSA-N 1 2 450.502 1.403 20 0 JDADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001467879103 1068083881 /nfs/dbraw/zinc/08/38/81/1068083881.db2.gz IULTUMLVLYZNNB-ZWKOTPCHSA-N 1 2 458.625 1.202 20 0 JDADLO CCOc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1OC ZINC001467900341 1068087217 /nfs/dbraw/zinc/08/72/17/1068087217.db2.gz CMTHHMZSISYFNR-QGZVFWFLSA-N 1 2 455.559 1.670 20 0 JDADLO CN(C)c1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1C=O ZINC001467900926 1068087849 /nfs/dbraw/zinc/08/78/49/1068087849.db2.gz LAPYGXPYYPYBGR-KRWDZBQOSA-N 1 2 452.559 1.142 20 0 JDADLO CO[C@@](C)(C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1ccccc1F ZINC001467900942 1068088761 /nfs/dbraw/zinc/08/87/61/1068088761.db2.gz LHHTWGMWPOOEBB-BXKMTCNYSA-N 1 2 457.550 1.650 20 0 JDADLO COc1ccc(F)c(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1OC ZINC001467901574 1068089161 /nfs/dbraw/zinc/08/91/61/1068089161.db2.gz QVRFQEGUBHDNSF-HNNXBMFYSA-N 1 2 459.522 1.419 20 0 JDADLO CC[C@@](O)(CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1ccccc1 ZINC001467901910 1068089713 /nfs/dbraw/zinc/08/97/13/1068089713.db2.gz YOLMYLASKJGZOG-KBMIEXCESA-N 1 2 453.587 1.637 20 0 JDADLO COc1cc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc(OC)c1C ZINC001467901886 1068089976 /nfs/dbraw/zinc/08/99/76/1068089976.db2.gz XHWMAZDVSUFCCP-KRWDZBQOSA-N 1 2 455.559 1.589 20 0 JDADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC001467917265 1068094316 /nfs/dbraw/zinc/09/43/16/1068094316.db2.gz QHRYHBXXAVXERI-UHFFFAOYSA-N 1 2 454.593 1.211 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC3(NS(C)(=O)=O)CCCCC3)C2)c1 ZINC001467937993 1068097411 /nfs/dbraw/zinc/09/74/11/1068097411.db2.gz CDCOCKJDKUFCJS-HXUWFJFHSA-N 1 2 452.621 1.747 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCC3(NS(C)(=O)=O)CCCCC3)C2)c1 ZINC001467937993 1068097424 /nfs/dbraw/zinc/09/74/24/1068097424.db2.gz CDCOCKJDKUFCJS-HXUWFJFHSA-N 1 2 452.621 1.747 20 0 JDADLO COc1ccc(CN2CC[C@H]2CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001467952753 1068112738 /nfs/dbraw/zinc/11/27/38/1068112738.db2.gz MLNHBDXSSDOWAL-NRFANRHFSA-N 1 2 453.591 1.571 20 0 JDADLO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCc1nc(COc2ccccc2)n[nH]1 ZINC001467953656 1068115362 /nfs/dbraw/zinc/11/53/62/1068115362.db2.gz WXAFEIJLLAHKSQ-UHFFFAOYSA-N 1 2 451.535 1.185 20 0 JDADLO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCc1n[nH]c(COc2ccccc2)n1 ZINC001467953656 1068115445 /nfs/dbraw/zinc/11/54/45/1068115445.db2.gz WXAFEIJLLAHKSQ-UHFFFAOYSA-N 1 2 451.535 1.185 20 0 JDADLO O=C(NCc1ccc(CN2C(=O)CNC2=O)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC001467968775 1068123987 /nfs/dbraw/zinc/12/39/87/1068123987.db2.gz PDKKCNKDWUUEJZ-UHFFFAOYSA-N 1 2 451.527 1.570 20 0 JDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC001468255085 1068215208 /nfs/dbraw/zinc/21/52/08/1068215208.db2.gz CAFSMNVMTHTACA-CYBMUJFWSA-N 1 2 455.334 1.021 20 0 JDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001468259375 1068216240 /nfs/dbraw/zinc/21/62/40/1068216240.db2.gz YZCKYGRIBYSNIZ-GFCCVEGCSA-N 1 2 459.391 1.849 20 0 JDADLO CN(C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001468310183 1068238509 /nfs/dbraw/zinc/23/85/09/1068238509.db2.gz SUDNKGQKIIVILA-KRWDZBQOSA-N 1 2 458.481 1.702 20 0 JDADLO COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001468311168 1068238856 /nfs/dbraw/zinc/23/88/56/1068238856.db2.gz QMUMREWROMXVKC-SFHVURJKSA-N 1 2 457.531 1.715 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CO1 ZINC001468309620 1068239049 /nfs/dbraw/zinc/23/90/49/1068239049.db2.gz FJBQBUJZINMPPT-SFHVURJKSA-N 1 2 450.536 1.748 20 0 JDADLO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC001468357940 1068253450 /nfs/dbraw/zinc/25/34/50/1068253450.db2.gz USGHXKLMYIXURK-RTBURBONSA-N 1 2 453.605 1.905 20 0 JDADLO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC001468357940 1068253484 /nfs/dbraw/zinc/25/34/84/1068253484.db2.gz USGHXKLMYIXURK-RTBURBONSA-N 1 2 453.605 1.905 20 0 JDADLO Cc1nc(N2CCN(C(=O)NCC3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc[nH+]1 ZINC001468358376 1068254389 /nfs/dbraw/zinc/25/43/89/1068254389.db2.gz RHMTUDORRZHONW-UHFFFAOYSA-N 1 2 458.588 1.718 20 0 JDADLO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001468362847 1068255224 /nfs/dbraw/zinc/25/52/24/1068255224.db2.gz FGSKCLRPDWTOCP-QYZOEREBSA-N 1 2 472.590 1.960 20 0 JDADLO Cc1nc(N2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)sc1C ZINC001468363875 1068256805 /nfs/dbraw/zinc/25/68/05/1068256805.db2.gz RKWXFRJACRXQIH-UHFFFAOYSA-N 1 2 457.604 1.725 20 0 JDADLO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001468364137 1068258381 /nfs/dbraw/zinc/25/83/81/1068258381.db2.gz ZWLGNMJSJPTCAD-HXUWFJFHSA-N 1 2 452.559 1.119 20 0 JDADLO COc1ccc(C[NH+]2CCC(CNC(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)CC2)cc1 ZINC001468378958 1068262809 /nfs/dbraw/zinc/26/28/09/1068262809.db2.gz QOOWPKQBVYYFOY-UHFFFAOYSA-N 1 2 450.565 1.069 20 0 JDADLO C[C@]1(c2cccc(CNC(=O)NCc3cc[nH+]c(N4CCSCC4)c3)c2)NC(=O)NC1=O ZINC001468499666 1068296930 /nfs/dbraw/zinc/29/69/30/1068296930.db2.gz CSVFGHLTLGDBAO-JOCHJYFZSA-N 1 2 454.556 1.689 20 0 JDADLO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC001468543798 1068307979 /nfs/dbraw/zinc/30/79/79/1068307979.db2.gz LPYOARSOOFVNSH-VGOFRKELSA-N 1 2 452.983 1.842 20 0 JDADLO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC001468543798 1068307999 /nfs/dbraw/zinc/30/79/99/1068307999.db2.gz LPYOARSOOFVNSH-VGOFRKELSA-N 1 2 452.983 1.842 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCO[C@@H](CCF)C3)cc2)CC1 ZINC001468548155 1068310949 /nfs/dbraw/zinc/31/09/49/1068310949.db2.gz BYROICGWKPAXPA-QFIPXVFZSA-N 1 2 450.555 1.542 20 0 JDADLO COC(=O)[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001468604073 1068322110 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CCOC(=O)[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@H](O)c1ccncc1 ZINC001470813606 1068812545 /nfs/dbraw/zinc/81/25/45/1068812545.db2.gz RJNGEJRTCRECHV-RBUKOAKNSA-N 1 2 450.536 1.152 20 0 JDADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC001470843820 1068816163 /nfs/dbraw/zinc/81/61/63/1068816163.db2.gz QNOLQQCFGQYVNF-UHFFFAOYSA-N 1 2 454.552 1.993 20 0 JDADLO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001470851378 1068817446 /nfs/dbraw/zinc/81/74/46/1068817446.db2.gz AZXGLSOADCEQJW-FZEVHQGJSA-N 1 2 451.589 1.755 20 0 JDADLO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001470851378 1068817448 /nfs/dbraw/zinc/81/74/48/1068817448.db2.gz AZXGLSOADCEQJW-FZEVHQGJSA-N 1 2 451.589 1.755 20 0 JDADLO Cn1cc([C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4cccnc4Cl)CC3)CC[NH2+]2)cn1 ZINC001470880015 1068820436 /nfs/dbraw/zinc/82/04/36/1068820436.db2.gz LYLYUYQREUYQRZ-INIZCTEOSA-N 1 2 452.968 1.042 20 0 JDADLO Cn1cc([C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4cccnc4Cl)CC3)CC[NH2+]2)cn1 ZINC001470880029 1068820484 /nfs/dbraw/zinc/82/04/84/1068820484.db2.gz LYLYUYQREUYQRZ-MRXNPFEDSA-N 1 2 452.968 1.042 20 0 JDADLO Nc1[nH+]ccc2c1CN(C(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)CC2 ZINC001470908163 1068821759 /nfs/dbraw/zinc/82/17/59/1068821759.db2.gz UQQGRGGXEAGNFN-HNNXBMFYSA-N 1 2 450.586 1.849 20 0 JDADLO Cn1ncc(C(F)(F)F)c1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001470929985 1068823486 /nfs/dbraw/zinc/82/34/86/1068823486.db2.gz ZRUXFDQSHBJQKL-UHFFFAOYSA-N 1 2 454.457 1.097 20 0 JDADLO Cn1ncc(C(F)(F)F)c1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001470929985 1068823487 /nfs/dbraw/zinc/82/34/87/1068823487.db2.gz ZRUXFDQSHBJQKL-UHFFFAOYSA-N 1 2 454.457 1.097 20 0 JDADLO CN(c1cccc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)c1)S(C)(=O)=O ZINC001470933961 1068824066 /nfs/dbraw/zinc/82/40/66/1068824066.db2.gz FTDMHFHJVFLZRP-JOCHJYFZSA-N 1 2 459.616 1.698 20 0 JDADLO CN(c1cccc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)c1)S(C)(=O)=O ZINC001470933961 1068824068 /nfs/dbraw/zinc/82/40/68/1068824068.db2.gz FTDMHFHJVFLZRP-JOCHJYFZSA-N 1 2 459.616 1.698 20 0 JDADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC001470950761 1068825882 /nfs/dbraw/zinc/82/58/82/1068825882.db2.gz UCEKPJSPHMHUDQ-QGZVFWFLSA-N 1 2 453.634 1.638 20 0 JDADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC001470950759 1068825893 /nfs/dbraw/zinc/82/58/93/1068825893.db2.gz UCEKPJSPHMHUDQ-KRWDZBQOSA-N 1 2 453.634 1.638 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)c1 ZINC001471101937 1068835460 /nfs/dbraw/zinc/83/54/60/1068835460.db2.gz RZYZJJFWIKWIGF-FQEVSTJZSA-N 1 2 450.580 1.724 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)c1 ZINC001471101937 1068835463 /nfs/dbraw/zinc/83/54/63/1068835463.db2.gz RZYZJJFWIKWIGF-FQEVSTJZSA-N 1 2 450.580 1.724 20 0 JDADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC001471103923 1068835501 /nfs/dbraw/zinc/83/55/01/1068835501.db2.gz RIQSXDWOUWCGQZ-DOTOQJQBSA-N 1 2 456.584 1.320 20 0 JDADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC001471103352 1068835630 /nfs/dbraw/zinc/83/56/30/1068835630.db2.gz FJRUTFNQLHWFRX-INIZCTEOSA-N 1 2 451.520 1.260 20 0 JDADLO CCOc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@H+](Cc4ccc(C)cc4)CCO3)CC2)nn1 ZINC001471108821 1068836203 /nfs/dbraw/zinc/83/62/03/1068836203.db2.gz DMOZCWORKPDBFL-OAQYLSRUSA-N 1 2 454.575 1.916 20 0 JDADLO CCOc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccc(C)cc4)CCO3)CC2)nn1 ZINC001471108821 1068836204 /nfs/dbraw/zinc/83/62/04/1068836204.db2.gz DMOZCWORKPDBFL-OAQYLSRUSA-N 1 2 454.575 1.916 20 0 JDADLO O=C(N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001471129718 1068837966 /nfs/dbraw/zinc/83/79/66/1068837966.db2.gz MDRASKVMRFHFLG-ZJOUEHCJSA-N 1 2 450.605 1.087 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)cc1 ZINC001471222924 1068843490 /nfs/dbraw/zinc/84/34/90/1068843490.db2.gz KXVXSLRDBUVPHY-GOSISDBHSA-N 1 2 457.556 1.167 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)cc1 ZINC001471222924 1068843491 /nfs/dbraw/zinc/84/34/91/1068843491.db2.gz KXVXSLRDBUVPHY-GOSISDBHSA-N 1 2 457.556 1.167 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)cc1 ZINC001471222925 1068843611 /nfs/dbraw/zinc/84/36/11/1068843611.db2.gz KXVXSLRDBUVPHY-SFHVURJKSA-N 1 2 457.556 1.167 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)cc1 ZINC001471222925 1068843613 /nfs/dbraw/zinc/84/36/13/1068843613.db2.gz KXVXSLRDBUVPHY-SFHVURJKSA-N 1 2 457.556 1.167 20 0 JDADLO COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC(N4CC[NH+](C)CC4)CC3)CC2)c1 ZINC001471235871 1068845517 /nfs/dbraw/zinc/84/55/17/1068845517.db2.gz NDULBCPIYJARGC-UHFFFAOYSA-N 1 2 458.603 1.794 20 0 JDADLO O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001471264287 1068847152 /nfs/dbraw/zinc/84/71/52/1068847152.db2.gz ASAFZQKUYVRZRS-HOTGVXAUSA-N 1 2 458.485 1.645 20 0 JDADLO O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001471264287 1068847154 /nfs/dbraw/zinc/84/71/54/1068847154.db2.gz ASAFZQKUYVRZRS-HOTGVXAUSA-N 1 2 458.485 1.645 20 0 JDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC001471393384 1068861553 /nfs/dbraw/zinc/86/15/53/1068861553.db2.gz CBDQZLIQLRTSMW-AWEZNQCLSA-N 1 2 457.373 1.190 20 0 JDADLO COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1OC ZINC001471409290 1068863494 /nfs/dbraw/zinc/86/34/94/1068863494.db2.gz YRJWHYFSCLQZMJ-XMMPIXPASA-N 1 2 455.559 1.318 20 0 JDADLO Cn1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)n1 ZINC001471651059 1068887744 /nfs/dbraw/zinc/88/77/44/1068887744.db2.gz AIKWMOFDYRQRET-KRWDZBQOSA-N 1 2 455.544 1.862 20 0 JDADLO Cn1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC001471651059 1068887748 /nfs/dbraw/zinc/88/77/48/1068887748.db2.gz AIKWMOFDYRQRET-KRWDZBQOSA-N 1 2 455.544 1.862 20 0 JDADLO O=C(c1sccc1S(=O)(=O)N1CCC(O)CC1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001471704354 1068893407 /nfs/dbraw/zinc/89/34/07/1068893407.db2.gz PSEJKYCJEFEJCD-KRWDZBQOSA-N 1 2 453.561 1.819 20 0 JDADLO C[NH+](C)Cc1csc(CNC(=O)CNC(=O)c2ccccc2I)n1 ZINC001471917401 1068929541 /nfs/dbraw/zinc/92/95/41/1068929541.db2.gz ZLYQSMRETJOYKE-UHFFFAOYSA-N 1 2 458.325 1.856 20 0 JDADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC(Nc4cccc[nH+]4)CC3)CC2)cc1 ZINC001471918851 1068930273 /nfs/dbraw/zinc/93/02/73/1068930273.db2.gz QGZBHGHOOLKWPR-UHFFFAOYSA-N 1 2 457.600 1.799 20 0 JDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC001471937607 1068933065 /nfs/dbraw/zinc/93/30/65/1068933065.db2.gz NIZDGBKFFPMOAJ-FQEVSTJZSA-N 1 2 451.589 1.517 20 0 JDADLO CS(=O)(=O)Cc1nnc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)[nH]1 ZINC001472085534 1068950366 /nfs/dbraw/zinc/95/03/66/1068950366.db2.gz RPILNVYMGTXYAW-RBUKOAKNSA-N 1 2 454.556 1.276 20 0 JDADLO CS(=O)(=O)Cc1nnc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)[nH]1 ZINC001472085534 1068950375 /nfs/dbraw/zinc/95/03/75/1068950375.db2.gz RPILNVYMGTXYAW-RBUKOAKNSA-N 1 2 454.556 1.276 20 0 JDADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001472181728 1068964986 /nfs/dbraw/zinc/96/49/86/1068964986.db2.gz YASCPHKPHROPJI-VGOFRKELSA-N 1 2 451.568 1.361 20 0 JDADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001472181728 1068964996 /nfs/dbraw/zinc/96/49/96/1068964996.db2.gz YASCPHKPHROPJI-VGOFRKELSA-N 1 2 451.568 1.361 20 0 JDADLO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001499329029 1068984645 /nfs/dbraw/zinc/98/46/45/1068984645.db2.gz LMPYEQFSUVGCAC-HXUWFJFHSA-N 1 2 473.597 1.737 20 0 JDADLO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001499329029 1068984661 /nfs/dbraw/zinc/98/46/61/1068984661.db2.gz LMPYEQFSUVGCAC-HXUWFJFHSA-N 1 2 473.597 1.737 20 0 JDADLO O=C(Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001472301428 1068988278 /nfs/dbraw/zinc/98/82/78/1068988278.db2.gz GEZYEVNULAEGFU-GOSISDBHSA-N 1 2 458.946 1.669 20 0 JDADLO O=C(Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001472301432 1068988388 /nfs/dbraw/zinc/98/83/88/1068988388.db2.gz GEZYEVNULAEGFU-SFHVURJKSA-N 1 2 458.946 1.669 20 0 JDADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC001472314117 1068990057 /nfs/dbraw/zinc/99/00/57/1068990057.db2.gz DMCPEIIQEKIBLP-YPMHNXCESA-N 1 2 467.286 1.886 20 0 JDADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCOC[C@H]2Nc2cc[nH+]c(C)n2)n(C)c1 ZINC001472333362 1068993694 /nfs/dbraw/zinc/99/36/94/1068993694.db2.gz SLPWMQMOAQZXRZ-DLBZAZTESA-N 1 2 450.565 1.153 20 0 JDADLO 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CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001473521074 1069174553 /nfs/dbraw/zinc/17/45/53/1069174553.db2.gz KDOAXHDQJHLCCF-KRWDZBQOSA-N 1 2 452.577 1.427 20 0 JDADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC001473526067 1069176883 /nfs/dbraw/zinc/17/68/83/1069176883.db2.gz BHTCQGWYCBXTPR-HUUCEWRRSA-N 1 2 451.568 1.853 20 0 JDADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC001473526067 1069176898 /nfs/dbraw/zinc/17/68/98/1069176898.db2.gz BHTCQGWYCBXTPR-HUUCEWRRSA-N 1 2 451.568 1.853 20 0 JDADLO CCC[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001500025144 1069184218 /nfs/dbraw/zinc/18/42/18/1069184218.db2.gz VGXNPBCNZIAMTH-MOPGFXCFSA-N 1 2 486.683 1.594 20 0 JDADLO CC(C)(C)OC(=O)CC[N@H+](CC(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CCOCC1 ZINC001473586068 1069187806 /nfs/dbraw/zinc/18/78/06/1069187806.db2.gz AYAVZRSVIQWYDW-UHFFFAOYSA-N 1 2 454.589 1.919 20 0 JDADLO CC(C)(C)OC(=O)CC[N@@H+](CC(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CCOCC1 ZINC001473586068 1069187813 /nfs/dbraw/zinc/18/78/13/1069187813.db2.gz AYAVZRSVIQWYDW-UHFFFAOYSA-N 1 2 454.589 1.919 20 0 JDADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC001473590848 1069188587 /nfs/dbraw/zinc/18/85/87/1069188587.db2.gz GPCITGKGUNXCKG-KWCYVHTRSA-N 1 2 452.577 1.848 20 0 JDADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC001473590848 1069188598 /nfs/dbraw/zinc/18/85/98/1069188598.db2.gz GPCITGKGUNXCKG-KWCYVHTRSA-N 1 2 452.577 1.848 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1CCC(CO)(OC)CC1 ZINC001473595874 1069190159 /nfs/dbraw/zinc/19/01/59/1069190159.db2.gz QFLRGQLDIPBMJX-UHFFFAOYSA-N 1 2 455.577 1.282 20 0 JDADLO Cc1cc(C[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C2CC2)cc(S(N)(=O)=O)c1C ZINC001473608024 1069191140 /nfs/dbraw/zinc/19/11/40/1069191140.db2.gz JEIOBPIINUVADZ-UHFFFAOYSA-N 1 2 458.588 1.054 20 0 JDADLO Cc1cc(C[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C2CC2)cc(S(N)(=O)=O)c1C ZINC001473608024 1069191153 /nfs/dbraw/zinc/19/11/53/1069191153.db2.gz JEIOBPIINUVADZ-UHFFFAOYSA-N 1 2 458.588 1.054 20 0 JDADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001473643734 1069199082 /nfs/dbraw/zinc/19/90/82/1069199082.db2.gz ZAYKTRBXUVPUQD-ICSRJNTNSA-N 1 2 458.588 1.420 20 0 JDADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001473643734 1069199091 /nfs/dbraw/zinc/19/90/91/1069199091.db2.gz ZAYKTRBXUVPUQD-ICSRJNTNSA-N 1 2 458.588 1.420 20 0 JDADLO COC(=O)c1cnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)s1 ZINC001473678355 1069206482 /nfs/dbraw/zinc/20/64/82/1069206482.db2.gz YMNITJYOXHJLMX-QWHCGFSZSA-N 1 2 452.558 1.784 20 0 JDADLO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)s1 ZINC001473678355 1069206507 /nfs/dbraw/zinc/20/65/07/1069206507.db2.gz YMNITJYOXHJLMX-QWHCGFSZSA-N 1 2 452.558 1.784 20 0 JDADLO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001473676316 1069206636 /nfs/dbraw/zinc/20/66/36/1069206636.db2.gz QAZLVIDECDOFDI-HLIPFELVSA-N 1 2 470.536 1.912 20 0 JDADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCO[C@H](C(F)F)CC3)CC2)cc1 ZINC001473707557 1069212658 /nfs/dbraw/zinc/21/26/58/1069212658.db2.gz UIUUAQOYCCACFF-SFHVURJKSA-N 1 2 459.515 1.078 20 0 JDADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCO[C@H](C(F)F)CC3)CC2)cc1 ZINC001473707557 1069212671 /nfs/dbraw/zinc/21/26/71/1069212671.db2.gz UIUUAQOYCCACFF-SFHVURJKSA-N 1 2 459.515 1.078 20 0 JDADLO COC(=O)c1cc(C2CC[NH+](CC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)no1 ZINC001473742366 1069217754 /nfs/dbraw/zinc/21/77/54/1069217754.db2.gz WLMGYACTAZPCTH-UHFFFAOYSA-N 1 2 450.517 1.530 20 0 JDADLO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CCO1 ZINC001500223874 1069218380 /nfs/dbraw/zinc/21/83/80/1069218380.db2.gz NTPZVOULDNGLFY-GCJKJVERSA-N 1 2 466.652 1.630 20 0 JDADLO CCC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001500232268 1069220069 /nfs/dbraw/zinc/22/00/69/1069220069.db2.gz JVQBBFPRNDNMNQ-WBVHZDCISA-N 1 2 451.597 1.403 20 0 JDADLO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC001473763072 1069220273 /nfs/dbraw/zinc/22/02/73/1069220273.db2.gz REUYFACPDRYVHC-FQEVSTJZSA-N 1 2 457.483 1.974 20 0 JDADLO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@@H+]1CCOC ZINC001500258004 1069223587 /nfs/dbraw/zinc/22/35/87/1069223587.db2.gz IQKSHJHPBRDSPP-HXUWFJFHSA-N 1 2 493.678 1.973 20 0 JDADLO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@H+]1CCOC ZINC001500258004 1069223598 /nfs/dbraw/zinc/22/35/98/1069223598.db2.gz IQKSHJHPBRDSPP-HXUWFJFHSA-N 1 2 493.678 1.973 20 0 JDADLO COc1cc2c(cc1OC)C1(CCC1)[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC2 ZINC001473801340 1069225777 /nfs/dbraw/zinc/22/57/77/1069225777.db2.gz GCZFMGMMNOBHJK-UHFFFAOYSA-N 1 2 451.589 1.481 20 0 JDADLO COc1cc2c(cc1OC)C1(CCC1)[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC2 ZINC001473801340 1069225785 /nfs/dbraw/zinc/22/57/85/1069225785.db2.gz GCZFMGMMNOBHJK-UHFFFAOYSA-N 1 2 451.589 1.481 20 0 JDADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)CC[N@@H+]1CCOC ZINC001500266843 1069226886 /nfs/dbraw/zinc/22/68/86/1069226886.db2.gz JDYAQOVJHRHKQJ-SLFFLAALSA-N 1 2 469.652 1.544 20 0 JDADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)CC[N@H+]1CCOC ZINC001500266843 1069226901 /nfs/dbraw/zinc/22/69/01/1069226901.db2.gz JDYAQOVJHRHKQJ-SLFFLAALSA-N 1 2 469.652 1.544 20 0 JDADLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC001473815572 1069226898 /nfs/dbraw/zinc/22/68/98/1069226898.db2.gz JNRQXVVTFOYVTI-OXQOHEQNSA-N 1 2 459.572 1.874 20 0 JDADLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ncccn2)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC001473815574 1069227145 /nfs/dbraw/zinc/22/71/45/1069227145.db2.gz JNRQXVVTFOYVTI-UZLBHIALSA-N 1 2 459.572 1.874 20 0 JDADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CC2)CC[N@@H+]1CCOC ZINC001500267744 1069228435 /nfs/dbraw/zinc/22/84/35/1069228435.db2.gz NKLMANBGQLNWQK-JUXOCIIHSA-N 1 2 469.652 1.278 20 0 JDADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CC2)CC[N@H+]1CCOC ZINC001500267744 1069228450 /nfs/dbraw/zinc/22/84/50/1069228450.db2.gz NKLMANBGQLNWQK-JUXOCIIHSA-N 1 2 469.652 1.278 20 0 JDADLO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001473830077 1069228920 /nfs/dbraw/zinc/22/89/20/1069228920.db2.gz MKWWEQRPBHBEJI-QGZVFWFLSA-N 1 2 452.596 1.604 20 0 JDADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C(C)C)CC[N@@H+]1CCOC ZINC001500268119 1069228838 /nfs/dbraw/zinc/22/88/38/1069228838.db2.gz PBBCLIHINGQQQP-KNKQGSTJSA-N 1 2 471.668 1.524 20 0 JDADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C(C)C)CC[N@H+]1CCOC ZINC001500268119 1069228853 /nfs/dbraw/zinc/22/88/53/1069228853.db2.gz PBBCLIHINGQQQP-KNKQGSTJSA-N 1 2 471.668 1.524 20 0 JDADLO CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001473830077 1069228937 /nfs/dbraw/zinc/22/89/37/1069228937.db2.gz MKWWEQRPBHBEJI-QGZVFWFLSA-N 1 2 452.596 1.604 20 0 JDADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C(C)C)CC[N@@H+]1CCOC ZINC001500268120 1069229109 /nfs/dbraw/zinc/22/91/09/1069229109.db2.gz PBBCLIHINGQQQP-NNMXDRDESA-N 1 2 471.668 1.524 20 0 JDADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C(C)C)CC[N@H+]1CCOC ZINC001500268120 1069229122 /nfs/dbraw/zinc/22/91/22/1069229122.db2.gz PBBCLIHINGQQQP-NNMXDRDESA-N 1 2 471.668 1.524 20 0 JDADLO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001473830076 1069229278 /nfs/dbraw/zinc/22/92/78/1069229278.db2.gz MKWWEQRPBHBEJI-KRWDZBQOSA-N 1 2 452.596 1.604 20 0 JDADLO CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001473830076 1069229286 /nfs/dbraw/zinc/22/92/86/1069229286.db2.gz MKWWEQRPBHBEJI-KRWDZBQOSA-N 1 2 452.596 1.604 20 0 JDADLO COCCNC(=O)c1c(NC(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)sc2c1CCCC2 ZINC001473846724 1069231304 /nfs/dbraw/zinc/23/13/04/1069231304.db2.gz OVGWCFZYUQCTTG-UHFFFAOYSA-N 1 2 450.561 1.516 20 0 JDADLO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001500286237 1069233497 /nfs/dbraw/zinc/23/34/97/1069233497.db2.gz QDOZSMYZKGGMQL-GBESFXJTSA-N 1 2 455.625 1.501 20 0 JDADLO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001500286237 1069233513 /nfs/dbraw/zinc/23/35/13/1069233513.db2.gz QDOZSMYZKGGMQL-GBESFXJTSA-N 1 2 455.625 1.501 20 0 JDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)CCc1nccc(C(F)(F)F)n1 ZINC001473867397 1069233826 /nfs/dbraw/zinc/23/38/26/1069233826.db2.gz LQTWGEZIYKJNJH-LBPRGKRZSA-N 1 2 457.478 1.595 20 0 JDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)CCc1nccc(C(F)(F)F)n1 ZINC001473867397 1069233836 /nfs/dbraw/zinc/23/38/36/1069233836.db2.gz LQTWGEZIYKJNJH-LBPRGKRZSA-N 1 2 457.478 1.595 20 0 JDADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)CCc1nccc(C(F)(F)F)n1 ZINC001473867391 1069233980 /nfs/dbraw/zinc/23/39/80/1069233980.db2.gz LQTWGEZIYKJNJH-GFCCVEGCSA-N 1 2 457.478 1.595 20 0 JDADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)CCc1nccc(C(F)(F)F)n1 ZINC001473867391 1069233991 /nfs/dbraw/zinc/23/39/91/1069233991.db2.gz LQTWGEZIYKJNJH-GFCCVEGCSA-N 1 2 457.478 1.595 20 0 JDADLO CCCCCC(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001500293101 1069234036 /nfs/dbraw/zinc/23/40/36/1069234036.db2.gz QVRKSEPGPQXHMN-QUCCMNQESA-N 1 2 475.638 1.615 20 0 JDADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001473877081 1069235067 /nfs/dbraw/zinc/23/50/67/1069235067.db2.gz SHLWNSTULNSCSL-LSDHHAIUSA-N 1 2 450.565 1.281 20 0 JDADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001473877081 1069235082 /nfs/dbraw/zinc/23/50/82/1069235082.db2.gz SHLWNSTULNSCSL-LSDHHAIUSA-N 1 2 450.565 1.281 20 0 JDADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473907681 1069237427 /nfs/dbraw/zinc/23/74/27/1069237427.db2.gz NJFZNHZPBTZNBF-CYFREDJKSA-N 1 2 459.591 1.831 20 0 JDADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473907683 1069237673 /nfs/dbraw/zinc/23/76/73/1069237673.db2.gz NJFZNHZPBTZNBF-NTKDMRAZSA-N 1 2 459.591 1.831 20 0 JDADLO COc1cc(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)cc(I)c1OC ZINC001474251539 1069241146 /nfs/dbraw/zinc/24/11/46/1069241146.db2.gz VFFKRJFNTCHOOQ-UHFFFAOYSA-N 1 2 455.256 1.340 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC001474374438 1069243923 /nfs/dbraw/zinc/24/39/23/1069243923.db2.gz RYGXLPGCXUXBAT-CQSZACIVSA-N 1 2 459.410 1.225 20 0 JDADLO CC(C)(C)OC(=O)N1CCc2ccc(C[NH+]3CCN(C(=O)CN4CCOCC4)CC3)cc2C1 ZINC001474409781 1069245044 /nfs/dbraw/zinc/24/50/44/1069245044.db2.gz AQHGOSLLWUCZOS-UHFFFAOYSA-N 1 2 458.603 1.956 20 0 JDADLO CCOC(=O)C1(S(C)(=O)=O)CCN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001474511993 1069246747 /nfs/dbraw/zinc/24/67/47/1069246747.db2.gz WCWVMEREBMXGOB-UHFFFAOYSA-N 1 2 454.589 1.340 20 0 JDADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001474698892 1069248872 /nfs/dbraw/zinc/24/88/72/1069248872.db2.gz BILBEUIPTYGTCF-UHFFFAOYSA-N 1 2 458.629 1.350 20 0 JDADLO CN(C)S(=O)(=O)n1ccnc1CNCCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001474698892 1069248899 /nfs/dbraw/zinc/24/88/99/1069248899.db2.gz BILBEUIPTYGTCF-UHFFFAOYSA-N 1 2 458.629 1.350 20 0 JDADLO C[NH+](C)[C@H](CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccco1 ZINC001474772492 1069252082 /nfs/dbraw/zinc/25/20/82/1069252082.db2.gz PUJRMTZTILLIGG-RTBURBONSA-N 1 2 451.545 1.839 20 0 JDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)n1 ZINC001474797835 1069259331 /nfs/dbraw/zinc/25/93/31/1069259331.db2.gz LTQVJSAOGBXBMS-CYBMUJFWSA-N 1 2 454.412 1.364 20 0 JDADLO CCn1c2ccc(S(=O)(=O)N(CC[NH+](CC)CC)[C@H]3CCS(=O)(=O)C3)cc2oc1=O ZINC001474798127 1069259862 /nfs/dbraw/zinc/25/98/62/1069259862.db2.gz PZJAGNIITWMPBW-HNNXBMFYSA-N 1 2 459.590 1.134 20 0 JDADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC001474810400 1069264105 /nfs/dbraw/zinc/26/41/05/1069264105.db2.gz WECUTEOEZQSDNF-UHFFFAOYSA-N 1 2 455.313 1.776 20 0 JDADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C[C@@H](C)O1 ZINC001474880630 1069293473 /nfs/dbraw/zinc/29/34/73/1069293473.db2.gz BCOIMTGBUGIWJA-NUJGCVRESA-N 1 2 457.618 1.390 20 0 JDADLO COC(=O)c1cc(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)oc1Cl ZINC001474879289 1069293790 /nfs/dbraw/zinc/29/37/90/1069293790.db2.gz DVBQITIBTCVRAS-UHFFFAOYSA-N 1 2 458.920 1.909 20 0 JDADLO CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001500684556 1069295855 /nfs/dbraw/zinc/29/58/55/1069295855.db2.gz BFQZRVAMHAQKAG-LJQANCHMSA-N 1 2 477.635 1.891 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNS(=O)(=O)CCC(F)(F)F)cc2)CC1 ZINC001474922834 1069306776 /nfs/dbraw/zinc/30/67/76/1069306776.db2.gz FJMBLMYMRSRIFE-UHFFFAOYSA-N 1 2 451.511 1.644 20 0 JDADLO CS[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001505158104 1072392304 /nfs/dbraw/zinc/39/23/04/1072392304.db2.gz JFSMKFOKQFOWRN-IRXDYDNUSA-N 1 2 451.641 1.301 20 0 JDADLO CSC[C@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001505216469 1072422662 /nfs/dbraw/zinc/42/26/62/1072422662.db2.gz GHMZLUREURGWNV-GDBMZVCRSA-N 1 2 453.638 1.729 20 0 JDADLO CSC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001505216475 1072422811 /nfs/dbraw/zinc/42/28/11/1072422811.db2.gz GHMZLUREURGWNV-HOCLYGCPSA-N 1 2 453.638 1.729 20 0 JDADLO CSCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001505255070 1072434825 /nfs/dbraw/zinc/43/48/25/1072434825.db2.gz QMAMXXUGMJJXRG-ROUUACIJSA-N 1 2 497.691 1.883 20 0 JDADLO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001505285856 1072463039 /nfs/dbraw/zinc/46/30/39/1072463039.db2.gz BPFKSMQPJZZYPI-OALUTQOASA-N 1 2 494.662 1.888 20 0 JDADLO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001505285856 1072463058 /nfs/dbraw/zinc/46/30/58/1072463058.db2.gz BPFKSMQPJZZYPI-OALUTQOASA-N 1 2 494.662 1.888 20 0 JDADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC001505287096 1072466988 /nfs/dbraw/zinc/46/69/88/1072466988.db2.gz LDBAAQFTHCDKKG-FGTMMUONSA-N 1 2 479.607 1.122 20 0 JDADLO O=S1(=O)CC[C@@H](c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001505379238 1072587219 /nfs/dbraw/zinc/58/72/19/1072587219.db2.gz DKXDSVNICXJTJO-MRXNPFEDSA-N 1 2 494.559 1.465 20 0 JDADLO O=S1(=O)CC[C@@H](c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001505379238 1072587228 /nfs/dbraw/zinc/58/72/28/1072587228.db2.gz DKXDSVNICXJTJO-MRXNPFEDSA-N 1 2 494.559 1.465 20 0 JDADLO O=S1(=O)CC[C@H](c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2Cc2ccco2)C1 ZINC001505380084 1072588574 /nfs/dbraw/zinc/58/85/74/1072588574.db2.gz JLZSNKZVVQDDNW-INIZCTEOSA-N 1 2 491.536 1.913 20 0 JDADLO O=S1(=O)CC[C@@H](c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCC(F)(F)F)C1 ZINC001505381167 1072589646 /nfs/dbraw/zinc/58/96/46/1072589646.db2.gz OLLCCAGAHFHQRE-HZPDHXFCSA-N 1 2 465.542 1.681 20 0 JDADLO O=S1(=O)CC[C@H](c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCCOC(F)(F)F)C1 ZINC001505381397 1072589684 /nfs/dbraw/zinc/58/96/84/1072589684.db2.gz PSGNLCDHMDBSTD-HNNXBMFYSA-N 1 2 481.541 1.408 20 0 JDADLO O=S1(=O)CC[C@H](c2nnc(N3CC[NH+](CCc4ccccc4)CC3)n2CCCCCO)C1 ZINC001505381581 1072591441 /nfs/dbraw/zinc/59/14/41/1072591441.db2.gz TXOWPPMBYAEYKF-NRFANRHFSA-N 1 2 461.632 1.708 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@H](CC(=O)N1CCC[C@H](c3[nH]cc[nH+]3)C1)CS2(=O)=O ZINC001546306343 1072869759 /nfs/dbraw/zinc/86/97/59/1072869759.db2.gz XRKPSICEGQWIBJ-HZMVEIRTSA-N 1 2 452.577 1.786 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001508218027 1072980779 /nfs/dbraw/zinc/98/07/79/1072980779.db2.gz YSKKQQCYOFDSIG-CVDCTZTESA-N 1 2 464.611 1.098 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001508218027 1072980792 /nfs/dbraw/zinc/98/07/92/1072980792.db2.gz YSKKQQCYOFDSIG-CVDCTZTESA-N 1 2 464.611 1.098 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001508218400 1072981271 /nfs/dbraw/zinc/98/12/71/1072981271.db2.gz CKDGWJPRZHNPHC-QGZVFWFLSA-N 1 2 486.602 1.181 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC001508232966 1072999956 /nfs/dbraw/zinc/99/99/56/1072999956.db2.gz AOSQRORKKBJSAL-IRXDYDNUSA-N 1 2 486.602 1.179 20 0 JDADLO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)C)n3CC3(CS(C)(=O)=O)CC3)C[C@H]2C)CC1 ZINC001508234725 1073005251 /nfs/dbraw/zinc/00/52/51/1073005251.db2.gz VNBBEPGEJAOJAJ-QUCCMNQESA-N 1 2 480.679 1.605 20 0 JDADLO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CC3(CS(C)(=O)=O)CC3)C[C@H]2C)CC1 ZINC001508234725 1073005258 /nfs/dbraw/zinc/00/52/58/1073005258.db2.gz VNBBEPGEJAOJAJ-QUCCMNQESA-N 1 2 480.679 1.605 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)[nH+]2)[C@H](C)C1 ZINC001508238242 1073012351 /nfs/dbraw/zinc/01/23/51/1073012351.db2.gz SMFUUOXGJYUEBX-SJORKVTESA-N 1 2 463.608 1.282 20 0 JDADLO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001508260144 1073028903 /nfs/dbraw/zinc/02/89/03/1073028903.db2.gz MWNWDOWOHDZHDQ-HXUWFJFHSA-N 1 2 456.591 1.863 20 0 JDADLO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001508260144 1073028912 /nfs/dbraw/zinc/02/89/12/1073028912.db2.gz MWNWDOWOHDZHDQ-HXUWFJFHSA-N 1 2 456.591 1.863 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3C[C@H](C)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001508271309 1073038767 /nfs/dbraw/zinc/03/87/67/1073038767.db2.gz CEUUAVIHRGBDQT-SFYKDHMMSA-N 1 2 464.611 1.096 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3CCN([C@H](C)C(F)(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001508271543 1073039176 /nfs/dbraw/zinc/03/91/76/1073039176.db2.gz DFNCTYPLHHJGBQ-MRXNPFEDSA-N 1 2 459.561 1.813 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001508271631 1073039296 /nfs/dbraw/zinc/03/92/96/1073039296.db2.gz DPNZXVYKRVAUGU-NQIIRXRSSA-N 1 2 488.555 1.823 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001508272103 1073039834 /nfs/dbraw/zinc/03/98/34/1073039834.db2.gz FOFFJFKHNUNKQY-UHFFFAOYSA-N 1 2 483.617 1.340 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(F)cc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001508272997 1073041131 /nfs/dbraw/zinc/04/11/31/1073041131.db2.gz JGGUXJYVMYRJGP-UHFFFAOYSA-N 1 2 487.580 1.219 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001508274086 1073043115 /nfs/dbraw/zinc/04/31/15/1073043115.db2.gz OHXREHCFWKUXFF-UHFFFAOYSA-N 1 2 459.620 1.571 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)cc3)nnc2N2CCC(CO)CC2)CC1 ZINC001508274052 1073043179 /nfs/dbraw/zinc/04/31/79/1073043179.db2.gz OFBYBHITNKHXDB-UHFFFAOYSA-N 1 2 456.591 1.538 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CCOc3ccccc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001508274598 1073043807 /nfs/dbraw/zinc/04/38/07/1073043807.db2.gz QMWNLRKNZLHTQR-KNQAVFIVSA-N 1 2 456.591 1.271 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001508275741 1073046261 /nfs/dbraw/zinc/04/62/61/1073046261.db2.gz KKJYXXMYOGCBFH-INIZCTEOSA-N 1 2 459.517 1.070 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001508275846 1073046903 /nfs/dbraw/zinc/04/69/03/1073046903.db2.gz XJYQYFVUAMXKGM-UHFFFAOYSA-N 1 2 485.633 1.599 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001508276033 1073047497 /nfs/dbraw/zinc/04/74/97/1073047497.db2.gz YNIBYZFFTVHKRS-LJQANCHMSA-N 1 2 458.611 1.308 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3CC[C@](O)(c4ccc(F)cc4)C3)nnc2C(C)(C)C)CC1 ZINC001508276268 1073047544 /nfs/dbraw/zinc/04/75/44/1073047544.db2.gz ZNKNUPYRHPDDGW-XMMPIXPASA-N 1 2 458.582 1.977 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001508276344 1073047892 /nfs/dbraw/zinc/04/78/92/1073047892.db2.gz AQMZIEYPQLKBKY-BPQIPLTHSA-N 1 2 458.529 1.971 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001508276299 1073048096 /nfs/dbraw/zinc/04/80/96/1073048096.db2.gz ZTBXGYLLHGGOKW-HXUWFJFHSA-N 1 2 456.591 1.863 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001508276521 1073048546 /nfs/dbraw/zinc/04/85/46/1073048546.db2.gz CMRGTNOXNXBYPY-NRFANRHFSA-N 1 2 455.607 1.679 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnccn2)CC1 ZINC001508276440 1073048875 /nfs/dbraw/zinc/04/88/75/1073048875.db2.gz BXNKMLXEJPVGGB-UHFFFAOYSA-N 1 2 452.538 1.599 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001508278299 1073051815 /nfs/dbraw/zinc/05/18/15/1073051815.db2.gz QTNDWKLMVNOALG-IAGOWNOFSA-N 1 2 475.569 1.421 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001508278301 1073053097 /nfs/dbraw/zinc/05/30/97/1073053097.db2.gz QTNDWKLMVNOALG-IRXDYDNUSA-N 1 2 475.569 1.421 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccccc3)C2)CC1 ZINC001508278338 1073053763 /nfs/dbraw/zinc/05/37/63/1073053763.db2.gz RHPSIXGQTXJJEK-GHTZIAJQSA-N 1 2 489.646 1.046 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001508278420 1073054604 /nfs/dbraw/zinc/05/46/04/1073054604.db2.gz KOHVOLYDKKFTQW-OAQYLSRUSA-N 1 2 458.611 1.671 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(F)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001508278531 1073055091 /nfs/dbraw/zinc/05/50/91/1073055091.db2.gz NCFYTQDOTYZEPM-UHFFFAOYSA-N 1 2 471.581 1.264 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001508278842 1073055235 /nfs/dbraw/zinc/05/52/35/1073055235.db2.gz MDNMXLPVDNDVKE-IBGZPJMESA-N 1 2 461.611 1.813 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CCC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CC1 ZINC001508278809 1073055324 /nfs/dbraw/zinc/05/53/24/1073055324.db2.gz LINYBZVISSCAKB-UHFFFAOYSA-N 1 2 485.555 1.605 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001508278983 1073055634 /nfs/dbraw/zinc/05/56/34/1073055634.db2.gz WDCOSRKGEXQZIK-IRXDYDNUSA-N 1 2 495.625 1.389 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001508278984 1073055677 /nfs/dbraw/zinc/05/56/77/1073055677.db2.gz WDCOSRKGEXQZIK-SJORKVTESA-N 1 2 495.625 1.389 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001508278982 1073055863 /nfs/dbraw/zinc/05/58/63/1073055863.db2.gz WDCOSRKGEXQZIK-IAGOWNOFSA-N 1 2 495.625 1.389 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001508279030 1073056218 /nfs/dbraw/zinc/05/62/18/1073056218.db2.gz NZVQSRYQEQSEGP-FQEVSTJZSA-N 1 2 482.633 1.121 20 0 JDADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001508279077 1073056369 /nfs/dbraw/zinc/05/63/69/1073056369.db2.gz PHGBOTCQQQVEIN-NRFANRHFSA-N 1 2 473.647 1.399 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N(C)CCOCc2ccccc2)CC1 ZINC001508279462 1073056872 /nfs/dbraw/zinc/05/68/72/1073056872.db2.gz QMYIWPRMJCMATB-QHCPKHFHSA-N 1 2 470.618 1.989 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001508279370 1073056907 /nfs/dbraw/zinc/05/69/07/1073056907.db2.gz OXAFZNOBCVSAPF-LJQANCHMSA-N 1 2 461.517 1.308 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCNC(=O)CC2)CC1 ZINC001508279570 1073057410 /nfs/dbraw/zinc/05/74/10/1073057410.db2.gz ZLPCIQNGPLVLTQ-QGZVFWFLSA-N 1 2 473.553 1.048 20 0 JDADLO CC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001508279852 1073058389 /nfs/dbraw/zinc/05/83/89/1073058389.db2.gz KNQBLWPSQKUWBG-UHFFFAOYSA-N 1 2 455.563 1.289 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001508280728 1073060011 /nfs/dbraw/zinc/06/00/11/1073060011.db2.gz XQNCKUCNTRJECI-HXUWFJFHSA-N 1 2 488.036 1.778 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001508280720 1073060065 /nfs/dbraw/zinc/06/00/65/1073060065.db2.gz XOLDVVKHCQUKIE-GOSISDBHSA-N 1 2 471.581 1.229 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N(C)CCCNC(=O)C2CCC2)CC1 ZINC001508280737 1073060485 /nfs/dbraw/zinc/06/04/85/1073060485.db2.gz XTUTYFVTXDUXDD-NRFANRHFSA-N 1 2 475.638 1.426 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N(C)CCCNC(=O)C2CCC2)CC1 ZINC001508280739 1073060619 /nfs/dbraw/zinc/06/06/19/1073060619.db2.gz XTUTYFVTXDUXDD-OAQYLSRUSA-N 1 2 475.638 1.426 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001508281252 1073061091 /nfs/dbraw/zinc/06/10/91/1073061091.db2.gz XXJWZIAUXCDZKF-QFBILLFUSA-N 1 2 461.611 1.669 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001508281255 1073061116 /nfs/dbraw/zinc/06/11/16/1073061116.db2.gz XXJWZIAUXCDZKF-VQIMIIECSA-N 1 2 461.611 1.669 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001508281250 1073061164 /nfs/dbraw/zinc/06/11/64/1073061164.db2.gz XXJWZIAUXCDZKF-LPHOPBHVSA-N 1 2 461.611 1.669 20 0 JDADLO CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001508308320 1073074552 /nfs/dbraw/zinc/07/45/52/1073074552.db2.gz YAOJNSNQEJGWBU-UHFFFAOYSA-N 1 2 456.595 1.809 20 0 JDADLO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001508326214 1073084087 /nfs/dbraw/zinc/08/40/87/1073084087.db2.gz BQFBOPNBLRTEDH-PZJWPPBQSA-N 1 2 456.591 1.991 20 0 JDADLO CC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001508327986 1073085527 /nfs/dbraw/zinc/08/55/27/1073085527.db2.gz YZPUCKCEPAMHOW-TZIWHRDSSA-N 1 2 456.591 1.725 20 0 JDADLO CC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001508327986 1073085540 /nfs/dbraw/zinc/08/55/40/1073085540.db2.gz YZPUCKCEPAMHOW-TZIWHRDSSA-N 1 2 456.591 1.725 20 0 JDADLO CC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001508329047 1073086697 /nfs/dbraw/zinc/08/66/97/1073086697.db2.gz ULQCDYXENIIEBZ-UHFFFAOYSA-N 1 2 454.579 1.565 20 0 JDADLO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001508348311 1073107803 /nfs/dbraw/zinc/10/78/03/1073107803.db2.gz ZCYNXCYJZKREOH-LJQANCHMSA-N 1 2 484.605 1.389 20 0 JDADLO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001508348311 1073107808 /nfs/dbraw/zinc/10/78/08/1073107808.db2.gz ZCYNXCYJZKREOH-LJQANCHMSA-N 1 2 484.605 1.389 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001508352599 1073114139 /nfs/dbraw/zinc/11/41/39/1073114139.db2.gz MLKFJRQBYOZBLC-OTWHNJEPSA-N 1 2 494.687 1.897 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001508361078 1073127984 /nfs/dbraw/zinc/12/79/84/1073127984.db2.gz WWPVXTZTKKRQNG-CTNGQTDRSA-N 1 2 458.611 1.213 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001508361078 1073127995 /nfs/dbraw/zinc/12/79/95/1073127995.db2.gz WWPVXTZTKKRQNG-CTNGQTDRSA-N 1 2 458.611 1.213 20 0 JDADLO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001508361081 1073128280 /nfs/dbraw/zinc/12/82/80/1073128280.db2.gz WWPVXTZTKKRQNG-TZIWHRDSSA-N 1 2 458.611 1.213 20 0 JDADLO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001508361081 1073128298 /nfs/dbraw/zinc/12/82/98/1073128298.db2.gz WWPVXTZTKKRQNG-TZIWHRDSSA-N 1 2 458.611 1.213 20 0 JDADLO CC(=O)NCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)CC1 ZINC001508366104 1073135025 /nfs/dbraw/zinc/13/50/25/1073135025.db2.gz RAIQOSRWHDPANI-LJQANCHMSA-N 1 2 475.619 1.430 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC001508368887 1073138637 /nfs/dbraw/zinc/13/86/37/1073138637.db2.gz DGDVSHVUMZLJLK-NRFANRHFSA-N 1 2 480.573 1.051 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC001508372354 1073146311 /nfs/dbraw/zinc/14/63/11/1073146311.db2.gz UIPPPOGTOBRSLQ-YADHBBJMSA-N 1 2 456.591 1.816 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC001508372348 1073146638 /nfs/dbraw/zinc/14/66/38/1073146638.db2.gz UIPPPOGTOBRSLQ-FCHUYYIVSA-N 1 2 456.591 1.816 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001508373071 1073151126 /nfs/dbraw/zinc/15/11/26/1073151126.db2.gz IVWHMWCUDITMSG-NPPFBWRTSA-N 1 2 490.580 1.619 20 0 JDADLO CC(=O)NCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001508376524 1073163883 /nfs/dbraw/zinc/16/38/83/1073163883.db2.gz BSSNLGHPHUZTGF-UHFFFAOYSA-N 1 2 468.400 1.341 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001508383352 1073183718 /nfs/dbraw/zinc/18/37/18/1073183718.db2.gz KTWDYFUSPTYXOE-NZQKXSOJSA-N 1 2 486.617 1.536 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001508386717 1073192469 /nfs/dbraw/zinc/19/24/69/1073192469.db2.gz WGOCSFRVFODENW-KNQAVFIVSA-N 1 2 472.590 1.228 20 0 JDADLO CC(=O)NCCCn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001508390479 1073200394 /nfs/dbraw/zinc/20/03/94/1073200394.db2.gz VITSZUZISHKZFH-UHFFFAOYSA-N 1 2 467.618 1.914 20 0 JDADLO CC(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001508393107 1073202558 /nfs/dbraw/zinc/20/25/58/1073202558.db2.gz CBWGAMQNNOKLAX-OAQYLSRUSA-N 1 2 474.631 1.337 20 0 JDADLO CC(=O)NCCCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001508400848 1073211165 /nfs/dbraw/zinc/21/11/65/1073211165.db2.gz GCVOBTWTGWYNQY-QFIPXVFZSA-N 1 2 461.655 1.693 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)Br)CC1 ZINC001508431267 1073226669 /nfs/dbraw/zinc/22/66/69/1073226669.db2.gz FPQQXYBWVIPZRJ-CABCVRRESA-N 1 2 491.381 1.903 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N(C)C)CC1 ZINC001508431923 1073228017 /nfs/dbraw/zinc/22/80/17/1073228017.db2.gz GJGJJLIAPIRBAX-QGZVFWFLSA-N 1 2 489.571 1.368 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C3CCCC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001508432077 1073228401 /nfs/dbraw/zinc/22/84/01/1073228401.db2.gz HOWDRCZQJCPDCE-IBGZPJMESA-N 1 2 496.678 1.130 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001508432229 1073228730 /nfs/dbraw/zinc/22/87/30/1073228730.db2.gz GUTUZAFULTZKSK-IAGOWNOFSA-N 1 2 472.619 1.980 20 0 JDADLO CC(C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508432790 1073229433 /nfs/dbraw/zinc/22/94/33/1073229433.db2.gz JXVUBCNKSPCEGU-DVECYGJZSA-N 1 2 455.607 1.880 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001508433818 1073232111 /nfs/dbraw/zinc/23/21/11/1073232111.db2.gz PUNJTDWDPFJJIC-INIZCTEOSA-N 1 2 494.522 1.152 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N(C)C)CC1 ZINC001508434783 1073233907 /nfs/dbraw/zinc/23/39/07/1073233907.db2.gz UFFSTBVTQAPZKF-SFHVURJKSA-N 1 2 473.647 1.542 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCCCCS(C)(=O)=O)CC1 ZINC001508438347 1073238280 /nfs/dbraw/zinc/23/82/80/1073238280.db2.gz ZGAYOLMECRMZTF-VQTJNVASSA-N 1 2 496.678 1.477 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508438807 1073239215 /nfs/dbraw/zinc/23/92/15/1073239215.db2.gz CQEWVBQBUMUPAZ-GGPKGHCWSA-N 1 2 492.646 1.710 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cn2ccccc2[nH+]1 ZINC001508441960 1073245024 /nfs/dbraw/zinc/24/50/24/1073245024.db2.gz WDORFGXSADSQEM-IAGOWNOFSA-N 1 2 473.603 1.662 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001508442351 1073246645 /nfs/dbraw/zinc/24/66/45/1073246645.db2.gz NSWOBAGQEMMAKX-KZNAEPCWSA-N 1 2 475.681 1.314 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001508445884 1073251432 /nfs/dbraw/zinc/25/14/32/1073251432.db2.gz JLFHXXRCCKMTNG-ZHALLVOQSA-N 1 2 489.646 1.921 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001508622088 1073289344 /nfs/dbraw/zinc/28/93/44/1073289344.db2.gz GWZFFZBIPSPSDA-QGZVFWFLSA-N 1 2 452.625 1.288 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CC1 ZINC001508623278 1073290445 /nfs/dbraw/zinc/29/04/45/1073290445.db2.gz MGHFLYKNUPDVSX-CQSZACIVSA-N 1 2 457.551 1.741 20 0 JDADLO CC(C)(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001508632762 1073296829 /nfs/dbraw/zinc/29/68/29/1073296829.db2.gz WWVFUKFJTXYZII-INIZCTEOSA-N 1 2 452.625 1.160 20 0 JDADLO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCS(C)(=O)=O ZINC001508645074 1073306110 /nfs/dbraw/zinc/30/61/10/1073306110.db2.gz HARXAKOSGBWDEN-GOSISDBHSA-N 1 2 498.650 1.306 20 0 JDADLO CC(C)(C)OC(=O)NCCn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001508665448 1073322394 /nfs/dbraw/zinc/32/23/94/1073322394.db2.gz FZAMHUYJJCXXSK-UHFFFAOYSA-N 1 2 484.605 1.609 20 0 JDADLO CC(C)=CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001508736848 1073354676 /nfs/dbraw/zinc/35/46/76/1073354676.db2.gz DBFRDHSNQISCEV-UHFFFAOYSA-N 1 2 452.567 1.776 20 0 JDADLO CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001508775637 1073370719 /nfs/dbraw/zinc/37/07/19/1073370719.db2.gz ZTCDMJWICDZSEE-UHFFFAOYSA-N 1 2 454.579 1.214 20 0 JDADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001508779838 1073373459 /nfs/dbraw/zinc/37/34/59/1073373459.db2.gz NZCJHHBCZYJJHM-RBUKOAKNSA-N 1 2 464.636 1.183 20 0 JDADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001508779838 1073373469 /nfs/dbraw/zinc/37/34/69/1073373469.db2.gz NZCJHHBCZYJJHM-RBUKOAKNSA-N 1 2 464.636 1.183 20 0 JDADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001508783499 1073374942 /nfs/dbraw/zinc/37/49/42/1073374942.db2.gz XWKUWFCGYOJOLQ-TZIWHRDSSA-N 1 2 455.607 1.726 20 0 JDADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001508783492 1073375101 /nfs/dbraw/zinc/37/51/01/1073375101.db2.gz XWKUWFCGYOJOLQ-CTNGQTDRSA-N 1 2 455.607 1.726 20 0 JDADLO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001508789109 1073376506 /nfs/dbraw/zinc/37/65/06/1073376506.db2.gz FWCFJLDLDKZDGV-IBGZPJMESA-N 1 2 455.607 1.726 20 0 JDADLO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001508789109 1073376518 /nfs/dbraw/zinc/37/65/18/1073376518.db2.gz FWCFJLDLDKZDGV-IBGZPJMESA-N 1 2 455.607 1.726 20 0 JDADLO CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001508803505 1073386989 /nfs/dbraw/zinc/38/69/89/1073386989.db2.gz MYJZHKPUNFPSKB-QGZVFWFLSA-N 1 2 454.641 1.263 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001508810968 1073390613 /nfs/dbraw/zinc/39/06/13/1073390613.db2.gz JHKOYSHQPSSEAO-XXBNENTESA-N 1 2 480.679 1.936 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508812329 1073391601 /nfs/dbraw/zinc/39/16/01/1073391601.db2.gz PBVJYXWVDMLTBJ-UHFFFAOYSA-N 1 2 465.562 1.223 20 0 JDADLO CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508826017 1073402090 /nfs/dbraw/zinc/40/20/90/1073402090.db2.gz PMBHFRMVIBWXPT-PMACEKPBSA-N 1 2 475.638 1.425 20 0 JDADLO CC(C)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001508838279 1073409126 /nfs/dbraw/zinc/40/91/26/1073409126.db2.gz NBGXNOMWIGJEHO-SFHVURJKSA-N 1 2 472.656 1.062 20 0 JDADLO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC001508874965 1073435987 /nfs/dbraw/zinc/43/59/87/1073435987.db2.gz NQJQFDBAPPOELD-LJQANCHMSA-N 1 2 476.626 1.996 20 0 JDADLO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC001508874961 1073436006 /nfs/dbraw/zinc/43/60/06/1073436006.db2.gz NQJQFDBAPPOELD-IBGZPJMESA-N 1 2 476.626 1.996 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001546312051 1073453523 /nfs/dbraw/zinc/45/35/23/1073453523.db2.gz JRNGHZFUWOKCLO-UHFFFAOYSA-N 1 2 498.676 1.907 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001546312051 1073453542 /nfs/dbraw/zinc/45/35/42/1073453542.db2.gz JRNGHZFUWOKCLO-UHFFFAOYSA-N 1 2 498.676 1.907 20 0 JDADLO CC(C)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001508970244 1073457096 /nfs/dbraw/zinc/45/70/96/1073457096.db2.gz VFOQWMGCBLNKGC-OAQYLSRUSA-N 1 2 456.591 1.773 20 0 JDADLO CC(C)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001508970244 1073457106 /nfs/dbraw/zinc/45/71/06/1073457106.db2.gz VFOQWMGCBLNKGC-OAQYLSRUSA-N 1 2 456.591 1.773 20 0 JDADLO CC(C)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001508970243 1073457219 /nfs/dbraw/zinc/45/72/19/1073457219.db2.gz VFOQWMGCBLNKGC-NRFANRHFSA-N 1 2 456.591 1.773 20 0 JDADLO CC(C)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001508970243 1073457238 /nfs/dbraw/zinc/45/72/38/1073457238.db2.gz VFOQWMGCBLNKGC-NRFANRHFSA-N 1 2 456.591 1.773 20 0 JDADLO CC(C)c1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001508994451 1073467151 /nfs/dbraw/zinc/46/71/51/1073467151.db2.gz SXWOJZDYUDJBMM-LJQANCHMSA-N 1 2 474.581 1.989 20 0 JDADLO CC(C)c1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001508994451 1073467155 /nfs/dbraw/zinc/46/71/55/1073467155.db2.gz SXWOJZDYUDJBMM-LJQANCHMSA-N 1 2 474.581 1.989 20 0 JDADLO CC(C)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001508994659 1073467815 /nfs/dbraw/zinc/46/78/15/1073467815.db2.gz WBOKHIMYLMGMKE-SFHVURJKSA-N 1 2 488.547 1.318 20 0 JDADLO CC(C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1CCC(=O)NC(C)(C)C ZINC001508994858 1073468007 /nfs/dbraw/zinc/46/80/07/1073468007.db2.gz AOGWEOIBYMYUPX-UHFFFAOYSA-N 1 2 454.583 1.710 20 0 JDADLO CC(C)Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001509177747 1073519189 /nfs/dbraw/zinc/51/91/89/1073519189.db2.gz KJWANCFXCQKHJO-GOSISDBHSA-N 1 2 471.606 1.739 20 0 JDADLO CC(C)Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001509177747 1073519219 /nfs/dbraw/zinc/51/92/19/1073519219.db2.gz KJWANCFXCQKHJO-GOSISDBHSA-N 1 2 471.606 1.739 20 0 JDADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001509202821 1073527030 /nfs/dbraw/zinc/52/70/30/1073527030.db2.gz NUZIDVROUXRJDX-UHFFFAOYSA-N 1 2 492.628 1.943 20 0 JDADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCNC(=O)c1ccco1 ZINC001509210452 1073533019 /nfs/dbraw/zinc/53/30/19/1073533019.db2.gz WYCLAYRDUAHTFQ-IBGZPJMESA-N 1 2 471.606 1.633 20 0 JDADLO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001509256407 1073548663 /nfs/dbraw/zinc/54/86/63/1073548663.db2.gz NLHFZORKEJNXQP-HSZRJFAPSA-N 1 2 483.661 1.855 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001546314151 1073562257 /nfs/dbraw/zinc/56/22/57/1073562257.db2.gz AWOQTVXXYDPYOA-MOPGFXCFSA-N 1 2 456.591 1.807 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)[C@H](C)C1=O ZINC001509404254 1073581129 /nfs/dbraw/zinc/58/11/29/1073581129.db2.gz BOQBLMVZGPDCKW-LJQANCHMSA-N 1 2 498.632 1.389 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001509404281 1073581236 /nfs/dbraw/zinc/58/12/36/1073581236.db2.gz BPOBWTRZTHBCPB-UHFFFAOYSA-N 1 2 454.641 1.552 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1=O ZINC001509406660 1073586133 /nfs/dbraw/zinc/58/61/33/1073586133.db2.gz JKSZDWUIXDROII-SFHVURJKSA-N 1 2 463.627 1.220 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCS(C)(=O)=O)CC1 ZINC001509418871 1073593538 /nfs/dbraw/zinc/59/35/38/1073593538.db2.gz GJCJQZBBDIHTMU-UHFFFAOYSA-N 1 2 487.630 1.405 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCS(C)(=O)=O)CC1 ZINC001509421908 1073595980 /nfs/dbraw/zinc/59/59/80/1073595980.db2.gz UIBCLNVSSJSCTE-UHFFFAOYSA-N 1 2 473.603 1.807 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001509433287 1073613056 /nfs/dbraw/zinc/61/30/56/1073613056.db2.gz WPBUZHVZEIIJGV-SFHVURJKSA-N 1 2 475.619 1.497 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001509433286 1073613171 /nfs/dbraw/zinc/61/31/71/1073613171.db2.gz WPBUZHVZEIIJGV-GOSISDBHSA-N 1 2 475.619 1.497 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001509436160 1073617725 /nfs/dbraw/zinc/61/77/25/1073617725.db2.gz PWQJAVNGAZFCBR-MSOLQXFVSA-N 1 2 483.038 1.974 20 0 JDADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001509436160 1073617729 /nfs/dbraw/zinc/61/77/29/1073617729.db2.gz PWQJAVNGAZFCBR-MSOLQXFVSA-N 1 2 483.038 1.974 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001509440113 1073620751 /nfs/dbraw/zinc/62/07/51/1073620751.db2.gz FDJGLDIFRBBLPX-GOSISDBHSA-N 1 2 455.650 1.768 20 0 JDADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001509440113 1073620758 /nfs/dbraw/zinc/62/07/58/1073620758.db2.gz FDJGLDIFRBBLPX-GOSISDBHSA-N 1 2 455.650 1.768 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001509447051 1073631857 /nfs/dbraw/zinc/63/18/57/1073631857.db2.gz YBLGEDSAFDBNCD-QUCCMNQESA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001509447051 1073631864 /nfs/dbraw/zinc/63/18/64/1073631864.db2.gz YBLGEDSAFDBNCD-QUCCMNQESA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001509483651 1073646335 /nfs/dbraw/zinc/64/63/35/1073646335.db2.gz QCGMLAYHGRJMAH-LJQANCHMSA-N 1 2 469.652 1.544 20 0 JDADLO CC(C)CSCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001509497024 1073650550 /nfs/dbraw/zinc/65/05/50/1073650550.db2.gz STYQXGNIEUYSQT-IBGZPJMESA-N 1 2 479.695 1.938 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001509565094 1073686483 /nfs/dbraw/zinc/68/64/83/1073686483.db2.gz AWZDXFJSMWLJIC-MOPGFXCFSA-N 1 2 492.621 1.194 20 0 JDADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)(C)O)CC2)C1 ZINC001509581173 1073702735 /nfs/dbraw/zinc/70/27/35/1073702735.db2.gz QYHROZSUZGWZNW-LJQANCHMSA-N 1 2 478.041 1.996 20 0 JDADLO CC(C)N1CC[NH+]([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(=O)N(C)C)C2)CC1 ZINC001509582334 1073706149 /nfs/dbraw/zinc/70/61/49/1073706149.db2.gz QSROUJKNUMUUJP-KRWDZBQOSA-N 1 2 493.454 1.729 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001509582747 1073707925 /nfs/dbraw/zinc/70/79/25/1073707925.db2.gz VUSIOUWGBGARTH-NRFANRHFSA-N 1 2 484.022 1.591 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001509585426 1073715053 /nfs/dbraw/zinc/71/50/53/1073715053.db2.gz LBNAPXDPLMIUEQ-SFHVURJKSA-N 1 2 458.611 1.774 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001509598409 1073724101 /nfs/dbraw/zinc/72/41/01/1073724101.db2.gz NWOGVWIPLSCEDS-UHFFFAOYSA-N 1 2 453.551 1.066 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)Cc2nccs2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001509602285 1073726273 /nfs/dbraw/zinc/72/62/73/1073726273.db2.gz MKHPPHXNCXNAIY-UHFFFAOYSA-N 1 2 456.576 1.789 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC001509604403 1073728794 /nfs/dbraw/zinc/72/87/94/1073728794.db2.gz NHJKHCIDJVCLSH-UHFFFAOYSA-N 1 2 497.644 1.859 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(N2CCOC2=O)cc1 ZINC001509604950 1073729689 /nfs/dbraw/zinc/72/96/89/1073729689.db2.gz QRJABQDGCZCUTA-UHFFFAOYSA-N 1 2 471.562 1.190 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001509606320 1073730778 /nfs/dbraw/zinc/73/07/78/1073730778.db2.gz GTQGNUQAXGDAQT-SFHVURJKSA-N 1 2 479.626 1.584 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001509613426 1073737405 /nfs/dbraw/zinc/73/74/05/1073737405.db2.gz RZLXVFVFPCNCRU-GOSISDBHSA-N 1 2 468.606 1.907 20 0 JDADLO COc1ccc(COC[C@H](O)C[NH+]2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1OC ZINC000025562183 563020446 /nfs/dbraw/zinc/02/04/46/563020446.db2.gz LWESJOFALLOJTM-QGZVFWFLSA-N 1 2 486.537 1.866 20 0 JDADLO CCOC(=O)[C@]12C[C@H]1CCN2c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164623006 719041096 /nfs/dbraw/zinc/04/10/96/719041096.db2.gz LIZOHEYYHGDJPF-OSPHWJPCSA-N 1 2 486.642 1.807 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4cc(C(=O)OC)ccc4nc3Cl)CC2)C1=O ZINC001164632671 719269605 /nfs/dbraw/zinc/26/96/05/719269605.db2.gz ASWSYBMIBINCRF-UHFFFAOYSA-N 1 2 461.950 1.829 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4cc(C(=O)OC)ccc4nc3Cl)CC2)C1=O ZINC001164632671 719269611 /nfs/dbraw/zinc/26/96/11/719269611.db2.gz ASWSYBMIBINCRF-UHFFFAOYSA-N 1 2 461.950 1.829 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4c3ccn4S(=O)(=O)c3ccccc3)CC2)C1=O ZINC001164634769 719272049 /nfs/dbraw/zinc/27/20/49/719272049.db2.gz OVTXOAOVEZQHJI-UHFFFAOYSA-N 1 2 498.609 1.428 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4c3ccn4S(=O)(=O)c3ccccc3)CC2)C1=O ZINC001164634769 719272052 /nfs/dbraw/zinc/27/20/52/719272052.db2.gz OVTXOAOVEZQHJI-UHFFFAOYSA-N 1 2 498.609 1.428 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4[nH]cc(C(=O)OC)c43)CC2)C1=O ZINC001164640840 719279946 /nfs/dbraw/zinc/27/99/46/719279946.db2.gz QJLVZDTULCDJLM-UHFFFAOYSA-N 1 2 450.927 1.157 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4[nH]cc(C(=O)OC)c43)CC2)C1=O ZINC001164640840 719279951 /nfs/dbraw/zinc/27/99/51/719279951.db2.gz QJLVZDTULCDJLM-UHFFFAOYSA-N 1 2 450.927 1.157 20 0 JDADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)nn2)C1 ZINC001164644511 719280675 /nfs/dbraw/zinc/28/06/75/719280675.db2.gz MNEGAGNSJQHKSJ-LJQANCHMSA-N 1 2 474.606 1.016 20 0 JDADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)nn2)C1 ZINC001164644511 719280682 /nfs/dbraw/zinc/28/06/82/719280682.db2.gz MNEGAGNSJQHKSJ-LJQANCHMSA-N 1 2 474.606 1.016 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C(=O)Nc4nncs4)cc3Cl)CC2)C1=O ZINC001164644916 719281226 /nfs/dbraw/zinc/28/12/26/719281226.db2.gz WUGDTDOYZCRSOJ-UHFFFAOYSA-N 1 2 479.994 1.598 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C(=O)Nc4nncs4)cc3Cl)CC2)C1=O ZINC001164644916 719281229 /nfs/dbraw/zinc/28/12/29/719281229.db2.gz WUGDTDOYZCRSOJ-UHFFFAOYSA-N 1 2 479.994 1.598 20 0 JDADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc1 ZINC001164644982 719281357 /nfs/dbraw/zinc/28/13/57/719281357.db2.gz YUQIADMNYZLPFH-SFHVURJKSA-N 1 2 467.636 1.308 20 0 JDADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc1 ZINC001164644982 719281360 /nfs/dbraw/zinc/28/13/60/719281360.db2.gz YUQIADMNYZLPFH-SFHVURJKSA-N 1 2 467.636 1.308 20 0 JDADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(N)(=O)=O)nn1)CC2 ZINC001164658892 719355420 /nfs/dbraw/zinc/35/54/20/719355420.db2.gz LISPIOOCVBCJQG-UHFFFAOYSA-N 1 2 453.572 1.819 20 0 JDADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(N)(=O)=O)nn1)CC2 ZINC001164658892 719355421 /nfs/dbraw/zinc/35/54/21/719355421.db2.gz LISPIOOCVBCJQG-UHFFFAOYSA-N 1 2 453.572 1.819 20 0 JDADLO c1ccc(N2CCN(c3cc(N4CCn5c(CN6CCOCC6)nnc5C4)nc[nH+]3)CC2)cc1 ZINC001164681161 719587632 /nfs/dbraw/zinc/58/76/32/719587632.db2.gz VBZVHDGWKFDPPB-UHFFFAOYSA-N 1 2 461.574 1.247 20 0 JDADLO c1ccc(N2CCN(c3cc(N4CCn5c(CN6CCOCC6)nnc5C4)[nH+]cn3)CC2)cc1 ZINC001164681161 719587636 /nfs/dbraw/zinc/58/76/36/719587636.db2.gz VBZVHDGWKFDPPB-UHFFFAOYSA-N 1 2 461.574 1.247 20 0 JDADLO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1 ZINC001164695423 719828014 /nfs/dbraw/zinc/82/80/14/719828014.db2.gz CQDQQLPSFABYJG-FQEVSTJZSA-N 1 2 461.570 1.630 20 0 JDADLO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001164695423 719828019 /nfs/dbraw/zinc/82/80/19/719828019.db2.gz CQDQQLPSFABYJG-FQEVSTJZSA-N 1 2 461.570 1.630 20 0 JDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1C(=O)OCC ZINC001164706729 719847321 /nfs/dbraw/zinc/84/73/21/719847321.db2.gz YJHVUYJNWJHTSV-QRQCRPRQSA-N 1 2 464.519 1.063 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCOCC1 ZINC001164700653 719853321 /nfs/dbraw/zinc/85/33/21/719853321.db2.gz IPADXAPLJXBJEZ-MHECFPHRSA-N 1 2 455.559 1.699 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCOCC1 ZINC001164700654 719853352 /nfs/dbraw/zinc/85/33/52/719853352.db2.gz IPADXAPLJXBJEZ-UUOWRZLLSA-N 1 2 455.559 1.699 20 0 JDADLO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)[nH]1 ZINC001164706426 719860234 /nfs/dbraw/zinc/86/02/34/719860234.db2.gz XOVJHRBCCVDQNO-MPBGBICISA-N 1 2 451.911 1.631 20 0 JDADLO COC(=O)C1CCN(c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nn2)CC1 ZINC001164701013 719860453 /nfs/dbraw/zinc/86/04/53/719860453.db2.gz JBACPWHGHUANOT-FDDCHVKYSA-N 1 2 461.563 1.099 20 0 JDADLO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nn2)CC1 ZINC001164701153 719861249 /nfs/dbraw/zinc/86/12/49/719861249.db2.gz JVTYFOLCPLKETD-NTKDMRAZSA-N 1 2 475.590 1.489 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC001164704325 719868152 /nfs/dbraw/zinc/86/81/52/719868152.db2.gz KZSAQXNKLWQUBX-UWJYYQICSA-N 1 2 452.577 1.099 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703737 719868165 /nfs/dbraw/zinc/86/81/65/719868165.db2.gz KHPJXMWQWNXWRV-UTKZUKDTSA-N 1 2 454.593 1.345 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC001164699834 719868204 /nfs/dbraw/zinc/86/82/04/719868204.db2.gz BSWBDQCTIKOEJB-XMSQKQJNSA-N 1 2 466.604 1.489 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703734 719868241 /nfs/dbraw/zinc/86/82/41/719868241.db2.gz KHPJXMWQWNXWRV-LAUBAEHRSA-N 1 2 454.593 1.345 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC001164704319 719868297 /nfs/dbraw/zinc/86/82/97/719868297.db2.gz KZSAQXNKLWQUBX-DYESRHJHSA-N 1 2 452.577 1.099 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC001164704321 719868315 /nfs/dbraw/zinc/86/83/15/719868315.db2.gz KZSAQXNKLWQUBX-LAUBAEHRSA-N 1 2 452.577 1.099 20 0 JDADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nn2)C1 ZINC001164700545 719869265 /nfs/dbraw/zinc/86/92/65/719869265.db2.gz DVYHQTJTTTWJFR-KHCICDEESA-N 1 2 475.590 1.489 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1 ZINC001164707785 719870251 /nfs/dbraw/zinc/87/02/51/719870251.db2.gz VKQXCJGBDHAXGU-SBUREZEXSA-N 1 2 459.547 1.145 20 0 JDADLO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164702284 719870258 /nfs/dbraw/zinc/87/02/58/719870258.db2.gz HXIRPGYSNFOPJZ-AVRDEDQJSA-N 1 2 468.620 1.781 20 0 JDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1 ZINC001164707784 719870512 /nfs/dbraw/zinc/87/05/12/719870512.db2.gz VKQXCJGBDHAXGU-HXOBKFHXSA-N 1 2 459.547 1.145 20 0 JDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)cc1C(=O)OCC ZINC001164702261 719880186 /nfs/dbraw/zinc/88/01/86/719880186.db2.gz PTQOUQMNLOJXQI-HJPURHCSSA-N 1 2 463.531 1.668 20 0 JDADLO COc1ccc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)n1 ZINC001164709497 719906614 /nfs/dbraw/zinc/90/66/14/719906614.db2.gz WNHVTDKWUZBPHZ-UHFFFAOYSA-N 1 2 454.909 1.972 20 0 JDADLO CCOC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1OCC ZINC001164708893 719907972 /nfs/dbraw/zinc/90/79/72/719907972.db2.gz MCZRZPPQSFRFJP-UHFFFAOYSA-N 1 2 456.547 1.341 20 0 JDADLO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709459 719908689 /nfs/dbraw/zinc/90/86/89/719908689.db2.gz VLSZNIUFGWWAHI-UHFFFAOYSA-N 1 2 483.960 1.754 20 0 JDADLO CCOC(=O)c1ccc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164708855 719908742 /nfs/dbraw/zinc/90/87/42/719908742.db2.gz KLVAZVCGNIXTIU-UHFFFAOYSA-N 1 2 463.542 1.490 20 0 JDADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709318 719913255 /nfs/dbraw/zinc/91/32/55/719913255.db2.gz SQJGUHCWKPMRRH-UHFFFAOYSA-N 1 2 482.919 1.750 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164709551 719913289 /nfs/dbraw/zinc/91/32/89/719913289.db2.gz YIAZCEZSUSJQKO-UHFFFAOYSA-N 1 2 474.009 1.947 20 0 JDADLO COc1ccc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1Cl ZINC001164708441 719913626 /nfs/dbraw/zinc/91/36/26/719913626.db2.gz DDIVCDVEOOUUQW-UHFFFAOYSA-N 1 2 454.909 1.972 20 0 JDADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164708808 719920005 /nfs/dbraw/zinc/92/00/05/719920005.db2.gz RPUWAXIPXATCSZ-UHFFFAOYSA-N 1 2 482.919 1.750 20 0 JDADLO CC(C)N1Cc2c(nc(Cl)nc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1=O ZINC001164708797 719920652 /nfs/dbraw/zinc/92/06/52/719920652.db2.gz RBXMMTRGYKDFAN-UHFFFAOYSA-N 1 2 472.981 1.178 20 0 JDADLO COC(=O)c1cc2c(nc(Cl)nc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1C ZINC001164708790 719921078 /nfs/dbraw/zinc/92/10/78/719921078.db2.gz QLWNDPQGJASDIE-UHFFFAOYSA-N 1 2 486.964 1.092 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164708128 719922302 /nfs/dbraw/zinc/92/23/02/719922302.db2.gz DJWPRSCMZKEWPW-UHFFFAOYSA-N 1 2 460.586 1.914 20 0 JDADLO COC(=O)C[C@H](c1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1)C1CC1 ZINC001164708627 719922746 /nfs/dbraw/zinc/92/27/46/719922746.db2.gz NPOFWKURANDRDI-FQEVSTJZSA-N 1 2 466.586 1.822 20 0 JDADLO CC1CCN(C(=O)c2cccnc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CC1 ZINC001164708761 719923603 /nfs/dbraw/zinc/92/36/03/719923603.db2.gz PBRNKRZOWYVLNN-UHFFFAOYSA-N 1 2 465.602 1.638 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)COc1ccc(Cl)nn1)CC2 ZINC001164708290 719923842 /nfs/dbraw/zinc/92/38/42/719923842.db2.gz HQKZMZPHGIGKKJ-UHFFFAOYSA-N 1 2 455.897 1.281 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164708279 719929617 /nfs/dbraw/zinc/92/96/17/719929617.db2.gz HDBWOCQSQMQUKT-UHFFFAOYSA-N 1 2 464.908 1.840 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164708310 719931519 /nfs/dbraw/zinc/93/15/19/719931519.db2.gz ILSFMDWFLGGOSV-UHFFFAOYSA-N 1 2 462.345 1.410 20 0 JDADLO COc1ccc(OC)c(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)c1 ZINC001164708139 719932406 /nfs/dbraw/zinc/93/24/06/719932406.db2.gz FCKHTMYPJVURII-UHFFFAOYSA-N 1 2 477.569 1.845 20 0 JDADLO CCOC(=O)c1cnc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1Cl ZINC001164702536 719933750 /nfs/dbraw/zinc/93/37/50/719933750.db2.gz GUXCDAXAOKKXCB-UHFFFAOYSA-N 1 2 497.934 1.535 20 0 JDADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164702526 719934333 /nfs/dbraw/zinc/93/43/33/719934333.db2.gz GUBXOXJKABYJAE-UHFFFAOYSA-N 1 2 460.966 1.904 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164709037 719938225 /nfs/dbraw/zinc/93/82/25/719938225.db2.gz WVBSSXRQDQYSMI-UHFFFAOYSA-N 1 2 452.950 1.876 20 0 JDADLO CN(C)c1cc(Cl)nc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164702561 719939057 /nfs/dbraw/zinc/93/90/57/719939057.db2.gz GXUISTXHZFFNAZ-UHFFFAOYSA-N 1 2 468.940 1.425 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CC2 ZINC001164703084 719939357 /nfs/dbraw/zinc/93/93/57/719939357.db2.gz IOMWQIBRWFFBJH-UHFFFAOYSA-N 1 2 494.978 1.959 20 0 JDADLO COC(=O)c1cc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cnc1Cl ZINC001164702350 720048568 /nfs/dbraw/zinc/04/85/68/720048568.db2.gz FORVYOFREBZMEY-UHFFFAOYSA-N 1 2 482.919 1.750 20 0 JDADLO CCOC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1C(=O)OCC ZINC001164709897 720049716 /nfs/dbraw/zinc/04/97/16/720049716.db2.gz BSQCNYJATQDJSY-UHFFFAOYSA-N 1 2 484.557 1.119 20 0 JDADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164714570 720049933 /nfs/dbraw/zinc/04/99/33/720049933.db2.gz QHGWWJQRARCFGC-CYBMUJFWSA-N 1 2 461.954 1.090 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C(=O)OC)c(Cl)n3)C2)C1 ZINC001164718845 720229336 /nfs/dbraw/zinc/22/93/36/720229336.db2.gz NERRGSVROWKICO-LJQANCHMSA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C(=O)OC)c(Cl)n3)C2)C1 ZINC001164718845 720229348 /nfs/dbraw/zinc/22/93/48/720229348.db2.gz NERRGSVROWKICO-LJQANCHMSA-N 1 2 460.909 1.731 20 0 JDADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719771 720248399 /nfs/dbraw/zinc/24/83/99/720248399.db2.gz OTAFQBPBJDSIPK-FQEVSTJZSA-N 1 2 472.011 1.693 20 0 JDADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719771 720248417 /nfs/dbraw/zinc/24/84/17/720248417.db2.gz OTAFQBPBJDSIPK-FQEVSTJZSA-N 1 2 472.011 1.693 20 0 JDADLO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164720686 720248600 /nfs/dbraw/zinc/24/86/00/720248600.db2.gz ZPXITSIMSQFDCY-IBVKSMDESA-N 1 2 499.660 1.645 20 0 JDADLO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164720686 720248608 /nfs/dbraw/zinc/24/86/08/720248608.db2.gz ZPXITSIMSQFDCY-IBVKSMDESA-N 1 2 499.660 1.645 20 0 JDADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719773 720249161 /nfs/dbraw/zinc/24/91/61/720249161.db2.gz OTAFQBPBJDSIPK-HXUWFJFHSA-N 1 2 472.011 1.693 20 0 JDADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719773 720249170 /nfs/dbraw/zinc/24/91/70/720249170.db2.gz OTAFQBPBJDSIPK-HXUWFJFHSA-N 1 2 472.011 1.693 20 0 JDADLO CCOC(Cc1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2)OCC ZINC001164718955 720252478 /nfs/dbraw/zinc/25/24/78/720252478.db2.gz ITCFPVMRSVCUBY-QFIPXVFZSA-N 1 2 470.014 1.736 20 0 JDADLO CCOC(Cc1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2)OCC ZINC001164718955 720252485 /nfs/dbraw/zinc/25/24/85/720252485.db2.gz ITCFPVMRSVCUBY-QFIPXVFZSA-N 1 2 470.014 1.736 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C2)C1 ZINC001164724214 720274013 /nfs/dbraw/zinc/27/40/13/720274013.db2.gz ZPQFDZNEDPEKAY-HSZRJFAPSA-N 1 2 489.598 1.337 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C2)C1 ZINC001164724214 720274033 /nfs/dbraw/zinc/27/40/33/720274033.db2.gz ZPQFDZNEDPEKAY-HSZRJFAPSA-N 1 2 489.598 1.337 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C2)C1 ZINC001164720615 720274575 /nfs/dbraw/zinc/27/45/75/720274575.db2.gz BGGOPDGSXKBQAE-IBGZPJMESA-N 1 2 454.909 1.888 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C2)C1 ZINC001164720615 720274580 /nfs/dbraw/zinc/27/45/80/720274580.db2.gz BGGOPDGSXKBQAE-IBGZPJMESA-N 1 2 454.909 1.888 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@](F)(COc3cncc(Cl)n3)C(F)F)C2)C1 ZINC001164720965 720293744 /nfs/dbraw/zinc/29/37/44/720293744.db2.gz GFYWUFQVUJJYOY-RTBURBONSA-N 1 2 465.904 1.600 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@](F)(COc3cncc(Cl)n3)C(F)F)C2)C1 ZINC001164720965 720293748 /nfs/dbraw/zinc/29/37/48/720293748.db2.gz GFYWUFQVUJJYOY-RTBURBONSA-N 1 2 465.904 1.600 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C2)C1 ZINC001164726471 720311909 /nfs/dbraw/zinc/31/19/09/720311909.db2.gz ZPVXHZZRVJGIAS-FQEVSTJZSA-N 1 2 473.405 1.285 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C2)C1 ZINC001164726471 720311917 /nfs/dbraw/zinc/31/19/17/720311917.db2.gz ZPVXHZZRVJGIAS-FQEVSTJZSA-N 1 2 473.405 1.285 20 0 JDADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)cc1OC ZINC001164823212 720361147 /nfs/dbraw/zinc/36/11/47/720361147.db2.gz CDCOIEZXXAWMDW-UHFFFAOYSA-N 1 2 459.572 1.955 20 0 JDADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)cc1OC ZINC001164823212 720361151 /nfs/dbraw/zinc/36/11/51/720361151.db2.gz CDCOIEZXXAWMDW-UHFFFAOYSA-N 1 2 459.572 1.955 20 0 JDADLO COC(=O)c1cc(OC)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824088 720364340 /nfs/dbraw/zinc/36/43/40/720364340.db2.gz ISCBXEPRDKPJRU-UHFFFAOYSA-N 1 2 459.572 1.955 20 0 JDADLO COC(=O)c1cc(OC)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824088 720364347 /nfs/dbraw/zinc/36/43/47/720364347.db2.gz ISCBXEPRDKPJRU-UHFFFAOYSA-N 1 2 459.572 1.955 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(S(N)(=O)=O)cc4Cl)CC3)C2=O)cs1 ZINC001164823978 720366983 /nfs/dbraw/zinc/36/69/83/720366983.db2.gz FFELTBNPJBSEQF-UHFFFAOYSA-N 1 2 485.035 1.461 20 0 JDADLO 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CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001501340631 1069492937 /nfs/dbraw/zinc/49/29/37/1069492937.db2.gz PYKKQDSSLMUJIA-QGZVFWFLSA-N 1 2 478.619 1.922 20 0 JDADLO CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001501389166 1069501668 /nfs/dbraw/zinc/50/16/68/1069501668.db2.gz KAJMLMMSWTZRFV-UHFFFAOYSA-N 1 2 487.580 1.462 20 0 JDADLO CCN(C)C(=O)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001501407134 1069513685 /nfs/dbraw/zinc/51/36/85/1069513685.db2.gz PRCQWLSQISPORH-JOCHJYFZSA-N 1 2 483.661 1.963 20 0 JDADLO CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001501421908 1069524863 /nfs/dbraw/zinc/52/48/63/1069524863.db2.gz YMVDAPBTIXOMRJ-SFHVURJKSA-N 1 2 456.595 1.809 20 0 JDADLO CCN(C)C(=O)Cn1c(CCc2ccccc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001501429722 1069529670 /nfs/dbraw/zinc/52/96/70/1069529670.db2.gz NJTLVLBUXOREHN-XMMPIXPASA-N 1 2 497.688 1.773 20 0 JDADLO CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001501448684 1069538364 /nfs/dbraw/zinc/53/83/64/1069538364.db2.gz OZDVJTPADOMZKP-PKOBYXMFSA-N 1 2 450.609 1.726 20 0 JDADLO CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001501471993 1069540167 /nfs/dbraw/zinc/54/01/67/1069540167.db2.gz UBSMADOCWQEODU-LJQANCHMSA-N 1 2 477.635 1.747 20 0 JDADLO CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001501471992 1069540428 /nfs/dbraw/zinc/54/04/28/1069540428.db2.gz UBSMADOCWQEODU-IBGZPJMESA-N 1 2 477.635 1.747 20 0 JDADLO COc1nn2cc(Br)cnc2c1S(=O)(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001475794853 1069550169 /nfs/dbraw/zinc/55/01/69/1069550169.db2.gz HZYMJTAJHAQSJV-UHFFFAOYSA-N 1 2 455.338 1.802 20 0 JDADLO CCN(c1nnc(-c2ccc[nH]2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001501583891 1069556572 /nfs/dbraw/zinc/55/65/72/1069556572.db2.gz CIUZDBHSJRGSTK-OKZBNKHCSA-N 1 2 450.609 1.786 20 0 JDADLO CCN(c1nnc(-c2ccc[nH]2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001501583888 1069556605 /nfs/dbraw/zinc/55/66/05/1069556605.db2.gz CIUZDBHSJRGSTK-BZSNNMDCSA-N 1 2 450.609 1.786 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c1 ZINC001475836215 1069557410 /nfs/dbraw/zinc/55/74/10/1069557410.db2.gz MQSDCZTVRALCAP-QGZVFWFLSA-N 1 2 454.641 1.541 20 0 JDADLO CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001501595819 1069559401 /nfs/dbraw/zinc/55/94/01/1069559401.db2.gz PGEGOHCDBZYSHW-QYZOEREBSA-N 1 2 478.594 1.685 20 0 JDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC001475852486 1069563738 /nfs/dbraw/zinc/56/37/38/1069563738.db2.gz YDYYICXSLRSJRH-AEFFLSMTSA-N 1 2 451.593 1.304 20 0 JDADLO CN(c1cccc(CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC001475852279 1069563856 /nfs/dbraw/zinc/56/38/56/1069563856.db2.gz UOGBNKJIBRVZQD-UHFFFAOYSA-N 1 2 459.572 1.792 20 0 JDADLO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001501618254 1069565002 /nfs/dbraw/zinc/56/50/02/1069565002.db2.gz CKKHMLZHGQYLAE-MOPGFXCFSA-N 1 2 487.692 1.316 20 0 JDADLO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001501618707 1069565436 /nfs/dbraw/zinc/56/54/36/1069565436.db2.gz GUGMCJUXNYNAGB-SJORKVTESA-N 1 2 482.632 1.091 20 0 JDADLO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001501618705 1069565452 /nfs/dbraw/zinc/56/54/52/1069565452.db2.gz GUGMCJUXNYNAGB-IAGOWNOFSA-N 1 2 482.632 1.091 20 0 JDADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001475861415 1069566642 /nfs/dbraw/zinc/56/66/42/1069566642.db2.gz TZCFHYVFXYVROY-KRWDZBQOSA-N 1 2 457.622 1.787 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(OC(F)F)cc1 ZINC001475922805 1069577685 /nfs/dbraw/zinc/57/76/85/1069577685.db2.gz LFDIPLYIMAYNRY-UHFFFAOYSA-N 1 2 455.487 1.957 20 0 JDADLO CCN(C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC001501680656 1069580668 /nfs/dbraw/zinc/58/06/68/1069580668.db2.gz LWRKNRRYGWBETD-KRWDZBQOSA-N 1 2 456.657 1.547 20 0 JDADLO CCN(C1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1)S(C)(=O)=O ZINC001501689634 1069590315 /nfs/dbraw/zinc/59/03/15/1069590315.db2.gz COURVVBEUGIRQD-IBGZPJMESA-N 1 2 491.662 1.235 20 0 JDADLO CCN(C1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1)S(C)(=O)=O ZINC001501689634 1069590334 /nfs/dbraw/zinc/59/03/34/1069590334.db2.gz COURVVBEUGIRQD-IBGZPJMESA-N 1 2 491.662 1.235 20 0 JDADLO CCN(CC)C(=O)CCCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001501745834 1069602620 /nfs/dbraw/zinc/60/26/20/1069602620.db2.gz LNYOMYYBNXJESW-UHFFFAOYSA-N 1 2 471.610 1.188 20 0 JDADLO CCN(CC)C(=O)CCCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001501745834 1069602650 /nfs/dbraw/zinc/60/26/50/1069602650.db2.gz LNYOMYYBNXJESW-UHFFFAOYSA-N 1 2 471.610 1.188 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)c1 ZINC001476179786 1069627723 /nfs/dbraw/zinc/62/77/23/1069627723.db2.gz NNLBENFQHVCYEO-FQEVSTJZSA-N 1 2 456.547 1.073 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)c1 ZINC001476179786 1069627751 /nfs/dbraw/zinc/62/77/51/1069627751.db2.gz NNLBENFQHVCYEO-FQEVSTJZSA-N 1 2 456.547 1.073 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)c1 ZINC001476179787 1069628353 /nfs/dbraw/zinc/62/83/53/1069628353.db2.gz NNLBENFQHVCYEO-HXUWFJFHSA-N 1 2 456.547 1.073 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)c1 ZINC001476179787 1069628361 /nfs/dbraw/zinc/62/83/61/1069628361.db2.gz NNLBENFQHVCYEO-HXUWFJFHSA-N 1 2 456.547 1.073 20 0 JDADLO Cc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1N1CCCS1(=O)=O ZINC001476182919 1069631049 /nfs/dbraw/zinc/63/10/49/1069631049.db2.gz ZCKMZOHNJMRUPA-FQEVSTJZSA-N 1 2 454.618 1.864 20 0 JDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CC2)CC1 ZINC001501777962 1069649864 /nfs/dbraw/zinc/64/98/64/1069649864.db2.gz DMLXEXBPKUSLAX-UMSFTDKQSA-N 1 2 487.674 1.556 20 0 JDADLO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CC2)CC1 ZINC001501777962 1069649905 /nfs/dbraw/zinc/64/99/05/1069649905.db2.gz DMLXEXBPKUSLAX-UMSFTDKQSA-N 1 2 487.674 1.556 20 0 JDADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC001476235285 1069656381 /nfs/dbraw/zinc/65/63/81/1069656381.db2.gz KALFPMCEYZQVRP-CEXWTWQISA-N 1 2 455.563 1.825 20 0 JDADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC001476235286 1069656565 /nfs/dbraw/zinc/65/65/65/1069656565.db2.gz KALFPMCEYZQVRP-GUDVDZBRSA-N 1 2 455.563 1.825 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cn[nH]c2)CC1 ZINC001501779865 1069662317 /nfs/dbraw/zinc/66/23/17/1069662317.db2.gz ASJRKRRJRUMYLX-UHFFFAOYSA-N 1 2 471.997 1.950 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CC(=O)N(C)C)CC1 ZINC001501779881 1069663202 /nfs/dbraw/zinc/66/32/02/1069663202.db2.gz BNRSJAOXMLSMAM-UHFFFAOYSA-N 1 2 478.601 1.572 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2CC(=O)NCc2ccco2)CC1 ZINC001501779922 1069663891 /nfs/dbraw/zinc/66/38/91/1069663891.db2.gz CMRIGKWRRIZYFB-UHFFFAOYSA-N 1 2 479.585 1.845 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001501783339 1069671904 /nfs/dbraw/zinc/67/19/04/1069671904.db2.gz JSVQJAKTRYEBTJ-UHFFFAOYSA-N 1 2 495.632 1.900 20 0 JDADLO COC(=O)c1csc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001476284771 1069669661 /nfs/dbraw/zinc/66/96/61/1069669661.db2.gz NGHDSBKVWMMMPR-UHFFFAOYSA-N 1 2 453.546 1.203 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCc2ccco2)CC1 ZINC001501782811 1069669803 /nfs/dbraw/zinc/66/98/03/1069669803.db2.gz AXZDRCMRQFNSLW-UHFFFAOYSA-N 1 2 480.573 1.240 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001501782868 1069669972 /nfs/dbraw/zinc/66/99/72/1069669972.db2.gz DAEGUEWOGQBWJJ-RBBKRZOGSA-N 1 2 485.633 1.690 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC(=O)NC(C)C)CC1 ZINC001501783541 1069674922 /nfs/dbraw/zinc/67/49/22/1069674922.db2.gz MYMBZUATWZNNLR-UHFFFAOYSA-N 1 2 456.595 1.245 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001501783834 1069675807 /nfs/dbraw/zinc/67/58/07/1069675807.db2.gz QTSWDGRCALZKLL-QHCPKHFHSA-N 1 2 484.630 1.695 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCC(F)F)CC1 ZINC001501783745 1069676196 /nfs/dbraw/zinc/67/61/96/1069676196.db2.gz PKROOJUHJGQKNS-UHFFFAOYSA-N 1 2 478.548 1.020 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001501784014 1069677797 /nfs/dbraw/zinc/67/77/97/1069677797.db2.gz SZZSLCICAWQDKY-OALUTQOASA-N 1 2 470.622 1.929 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CCSC2)CC1 ZINC001501784069 1069680127 /nfs/dbraw/zinc/68/01/27/1069680127.db2.gz VUBNCLNCOGRLII-QFIPXVFZSA-N 1 2 461.636 1.142 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCOc2ncccc2F)CC1 ZINC001501784233 1069681031 /nfs/dbraw/zinc/68/10/31/1069681031.db2.gz YLRXODFFFLDQSO-UHFFFAOYSA-N 1 2 482.564 1.944 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001501784021 1069678031 /nfs/dbraw/zinc/67/80/31/1069678031.db2.gz TWCDHTDRPDJINC-SFHVURJKSA-N 1 2 463.533 1.755 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001501792716 1069716008 /nfs/dbraw/zinc/71/60/08/1069716008.db2.gz CAIUQCZSWZEIQL-UHFFFAOYSA-N 1 2 483.621 1.494 20 0 JDADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC001476554378 1069738711 /nfs/dbraw/zinc/73/87/11/1069738711.db2.gz QAZLWOLZJNPBEE-OAQYLSRUSA-N 1 2 453.543 1.309 20 0 JDADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](NC(C)=O)C2)c[nH+]1 ZINC001501829988 1069739231 /nfs/dbraw/zinc/73/92/31/1069739231.db2.gz DVBXMXUIRSPWDW-FQEVSTJZSA-N 1 2 468.606 1.909 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCC(=O)N3)C2)c[nH+]1 ZINC001501831595 1069741821 /nfs/dbraw/zinc/74/18/21/1069741821.db2.gz YTZXNTPHESZKQX-AOMKIAJQSA-N 1 2 490.634 1.037 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)c[nH+]1 ZINC001501840293 1069743845 /nfs/dbraw/zinc/74/38/45/1069743845.db2.gz CUQZSXXKEHDFDR-VQTJNVASSA-N 1 2 457.579 1.413 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)c[nH+]1 ZINC001501840454 1069744991 /nfs/dbraw/zinc/74/49/91/1069744991.db2.gz HBBUORPMHWVHJD-FQEVSTJZSA-N 1 2 498.632 1.245 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(=O)NC)C2)c[nH+]1 ZINC001501841096 1069745720 /nfs/dbraw/zinc/74/57/20/1069745720.db2.gz XLHVZBQMIQFUNR-FDDCHVKYSA-N 1 2 489.646 1.432 20 0 JDADLO CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001501840928 1069746279 /nfs/dbraw/zinc/74/62/79/1069746279.db2.gz SYEPFKZVSQIXJI-SFHVURJKSA-N 1 2 465.624 1.747 20 0 JDADLO CCN(CC)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C(=O)NC)C2)c[nH+]1 ZINC001501844201 1069746761 /nfs/dbraw/zinc/74/67/61/1069746761.db2.gz LIDWJGUXCCQYRT-HXUWFJFHSA-N 1 2 464.574 1.505 20 0 JDADLO CCN(CC)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)c[nH+]1 ZINC001501844463 1069746901 /nfs/dbraw/zinc/74/69/01/1069746901.db2.gz SYHZYFBMCSMRGI-FQEVSTJZSA-N 1 2 464.574 1.505 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](CNC(C)=O)C2)c[nH+]1 ZINC001501847506 1069747194 /nfs/dbraw/zinc/74/71/94/1069747194.db2.gz QHFGEPOUFMXCQC-VQTJNVASSA-N 1 2 457.579 1.760 20 0 JDADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)c[nH+]1 ZINC001501844611 1069747250 /nfs/dbraw/zinc/74/72/50/1069747250.db2.gz ZWCRYDLIZWLOSV-QFIPXVFZSA-N 1 2 478.601 1.895 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(OCC(N)=O)CC2)c[nH+]1 ZINC001501847228 1069747464 /nfs/dbraw/zinc/74/74/64/1069747464.db2.gz HPSDEFRARQFWJT-LJQANCHMSA-N 1 2 457.579 1.890 20 0 JDADLO CCOC(=O)CN1c2ccc(NC(=O)N(C)[C@@H](C)C[NH+]3CCOCC3)cc2C(F)(F)C1=O ZINC001476644893 1069759488 /nfs/dbraw/zinc/75/94/88/1069759488.db2.gz JWISCJZZRLAZFO-AWEZNQCLSA-N 1 2 454.474 1.873 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc2c(c1)CCCC2=O ZINC001476660030 1069761444 /nfs/dbraw/zinc/76/14/44/1069761444.db2.gz DXHQBUQVTVNRMT-UHFFFAOYSA-N 1 2 457.556 1.874 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)Nc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)CC1 ZINC001476667773 1069762521 /nfs/dbraw/zinc/76/25/21/1069762521.db2.gz FCPJZSQIXMXXCH-QHCPKHFHSA-N 1 2 459.547 1.724 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)CC1 ZINC001476667772 1069762823 /nfs/dbraw/zinc/76/28/23/1069762823.db2.gz FCPJZSQIXMXXCH-HSZRJFAPSA-N 1 2 459.547 1.724 20 0 JDADLO COc1cc(C(N)=O)ccc1NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001476733287 1069769403 /nfs/dbraw/zinc/76/94/03/1069769403.db2.gz GOODBMXSCSLOMO-MRXNPFEDSA-N 1 2 455.519 1.211 20 0 JDADLO COc1cc(C(N)=O)ccc1NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001476733287 1069769419 /nfs/dbraw/zinc/76/94/19/1069769419.db2.gz GOODBMXSCSLOMO-MRXNPFEDSA-N 1 2 455.519 1.211 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cnc(C(F)(F)F)nc1 ZINC001476780339 1069774840 /nfs/dbraw/zinc/77/48/40/1069774840.db2.gz KWVOIGJITBRBKX-UHFFFAOYSA-N 1 2 459.454 1.164 20 0 JDADLO CC(C)Oc1cc(C(N)=O)ccc1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001476776947 1069775092 /nfs/dbraw/zinc/77/50/92/1069775092.db2.gz PJSPDTQFINKHPB-UHFFFAOYSA-N 1 2 454.531 1.828 20 0 JDADLO CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001476832764 1069779500 /nfs/dbraw/zinc/77/95/00/1069779500.db2.gz MDCVRIRJRHDDJA-KRWDZBQOSA-N 1 2 453.609 1.027 20 0 JDADLO COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C2)cc1 ZINC001477246819 1069807788 /nfs/dbraw/zinc/80/77/88/1069807788.db2.gz NGDYJYXUKZVZNY-UHFFFAOYSA-N 1 2 455.540 1.812 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCC2(CCC2)CO1 ZINC001477275264 1069810080 /nfs/dbraw/zinc/81/00/80/1069810080.db2.gz PXTFXMZXSBVWNQ-GOSISDBHSA-N 1 2 451.593 1.182 20 0 JDADLO CC1(C)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1[C@H]1CCCO1 ZINC001477275704 1069810377 /nfs/dbraw/zinc/81/03/77/1069810377.db2.gz YNIHVJASAHMCLW-MJGOQNOKSA-N 1 2 451.593 1.132 20 0 JDADLO CSc1cc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC001477275681 1069810485 /nfs/dbraw/zinc/81/04/85/1069810485.db2.gz YAPHQOYCMHOJFE-UHFFFAOYSA-N 1 2 450.590 1.150 20 0 JDADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc1 ZINC001477363111 1069815939 /nfs/dbraw/zinc/81/59/39/1069815939.db2.gz RKGANQLHTAWDKP-UHFFFAOYSA-N 1 2 454.593 1.379 20 0 JDADLO CN(C)S(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1 ZINC001477418236 1069821997 /nfs/dbraw/zinc/82/19/97/1069821997.db2.gz APFFZRMQJSQCBT-OAQYLSRUSA-N 1 2 459.616 1.552 20 0 JDADLO CN(C)S(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC001477418236 1069822000 /nfs/dbraw/zinc/82/20/00/1069822000.db2.gz APFFZRMQJSQCBT-OAQYLSRUSA-N 1 2 459.616 1.552 20 0 JDADLO CN(C)S(=O)(=O)c1ccc(CNC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc1 ZINC001477419223 1069822354 /nfs/dbraw/zinc/82/23/54/1069822354.db2.gz RJVMRLFPSVRYDQ-UHFFFAOYSA-N 1 2 454.593 1.542 20 0 JDADLO Cc1ccc(C(=O)NCCNC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1F ZINC001477436359 1069824431 /nfs/dbraw/zinc/82/44/31/1069824431.db2.gz AVYCOYPSECOIJN-KRWDZBQOSA-N 1 2 451.543 1.714 20 0 JDADLO Cc1ccc(C(=O)NCCNC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1F ZINC001477436359 1069824432 /nfs/dbraw/zinc/82/44/32/1069824432.db2.gz AVYCOYPSECOIJN-KRWDZBQOSA-N 1 2 451.543 1.714 20 0 JDADLO CCN(C[C@@H]1CCCO1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001502115052 1069825361 /nfs/dbraw/zinc/82/53/61/1069825361.db2.gz BNKRFNCFNRBBFN-XUZZJYLKSA-N 1 2 478.638 1.488 20 0 JDADLO COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)CCS2(=O)=O ZINC001477469787 1069825470 /nfs/dbraw/zinc/82/54/70/1069825470.db2.gz BLNJVBUFRAUTKP-CANSVUIHSA-N 1 2 455.552 1.627 20 0 JDADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)O ZINC001502143880 1069828772 /nfs/dbraw/zinc/82/87/72/1069828772.db2.gz NVJIBONNQMTEAQ-KRWDZBQOSA-N 1 2 479.651 1.797 20 0 JDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001477620551 1069837851 /nfs/dbraw/zinc/83/78/51/1069837851.db2.gz ASHHULAUEQNOPM-UHFFFAOYSA-N 1 2 451.589 1.650 20 0 JDADLO CNC(=O)[C@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)Cc1ccc(F)cc1C ZINC001477606456 1069836275 /nfs/dbraw/zinc/83/62/75/1069836275.db2.gz GFRFJFILRPYCSJ-AVRDEDQJSA-N 1 2 452.596 1.546 20 0 JDADLO CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCc3ccccc3-n3cc[nH+]c3)CC2=O)C1 ZINC001477605571 1069836375 /nfs/dbraw/zinc/83/63/75/1069836375.db2.gz WJPOVJASZDWCQL-KRWDZBQOSA-N 1 2 454.531 1.892 20 0 JDADLO CCOc1ccnc(N2CCCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)n1 ZINC001477607239 1069836729 /nfs/dbraw/zinc/83/67/29/1069836729.db2.gz SLHGUKZLGIQYCE-NRFANRHFSA-N 1 2 450.609 1.305 20 0 JDADLO CS(=O)(=O)[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1C(F)(F)F ZINC001477621213 1069837726 /nfs/dbraw/zinc/83/77/26/1069837726.db2.gz KGVUMYGEYIFVCY-QZTJIDSGSA-N 1 2 479.521 1.515 20 0 JDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001477629264 1069839550 /nfs/dbraw/zinc/83/95/50/1069839550.db2.gz BOCVVPBCTQBTCY-NRFANRHFSA-N 1 2 459.591 1.877 20 0 JDADLO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC001477630581 1069840027 /nfs/dbraw/zinc/84/00/27/1069840027.db2.gz QKFUHXBQVZUWNK-XLIONFOSSA-N 1 2 456.547 1.124 20 0 JDADLO CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)S(C)(=O)=O ZINC001502183413 1069841443 /nfs/dbraw/zinc/84/14/43/1069841443.db2.gz SRVISMCMWBOWLC-LJQANCHMSA-N 1 2 492.650 1.269 20 0 JDADLO CC(C)(C)OC(=O)N1CC2(CN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC001477659803 1069841680 /nfs/dbraw/zinc/84/16/80/1069841680.db2.gz CDGUJZGDQVSUJT-UHFFFAOYSA-N 1 2 458.563 1.383 20 0 JDADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC001477624239 1069838465 /nfs/dbraw/zinc/83/84/65/1069838465.db2.gz AUDCUGUVZPHTIB-IEBWSBKVSA-N 1 2 454.593 1.006 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)cc1 ZINC001477688611 1069844680 /nfs/dbraw/zinc/84/46/80/1069844680.db2.gz HMXIJSVKHRNXRU-UHFFFAOYSA-N 1 2 454.593 1.212 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)cc1 ZINC001477688611 1069844681 /nfs/dbraw/zinc/84/46/81/1069844681.db2.gz HMXIJSVKHRNXRU-UHFFFAOYSA-N 1 2 454.593 1.212 20 0 JDADLO CC1(C)C[N@H+](CCNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 ZINC001477689403 1069844837 /nfs/dbraw/zinc/84/48/37/1069844837.db2.gz OHQZGEQHGWHZKW-IBGZPJMESA-N 1 2 450.555 1.253 20 0 JDADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 ZINC001477689403 1069844838 /nfs/dbraw/zinc/84/48/38/1069844838.db2.gz OHQZGEQHGWHZKW-IBGZPJMESA-N 1 2 450.555 1.253 20 0 JDADLO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001477707065 1069845921 /nfs/dbraw/zinc/84/59/21/1069845921.db2.gz NJXNIMNUTPNQOO-INIZCTEOSA-N 1 2 457.369 1.421 20 0 JDADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCC(=O)N3CCc4ccccc4C3)CC2)c1 ZINC001477748401 1069852049 /nfs/dbraw/zinc/85/20/49/1069852049.db2.gz VSULZJDRAQDMEW-UHFFFAOYSA-N 1 2 452.555 1.986 20 0 JDADLO CCN(CCS(C)(=O)=O)c1nnc(C(=O)NC(C)C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001502206836 1069859022 /nfs/dbraw/zinc/85/90/22/1069859022.db2.gz NKOCNCMPSQJCGX-UHFFFAOYSA-N 1 2 486.708 1.649 20 0 JDADLO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[C@H]1F ZINC001477800275 1069859421 /nfs/dbraw/zinc/85/94/21/1069859421.db2.gz WAEQVELWBNJGMT-HZPDHXFCSA-N 1 2 450.577 1.142 20 0 JDADLO O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001477804332 1069860160 /nfs/dbraw/zinc/86/01/60/1069860160.db2.gz RPVVRTPFYJTMKR-UHFFFAOYSA-N 1 2 459.012 1.766 20 0 JDADLO O=C(NC[C@@H](CO)Cc1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477814645 1069863752 /nfs/dbraw/zinc/86/37/52/1069863752.db2.gz WNBOSGFBUMRWHE-SFTDATJTSA-N 1 2 454.575 1.432 20 0 JDADLO O=C(NC[C@@H](CO)Cc1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477814645 1069863757 /nfs/dbraw/zinc/86/37/57/1069863757.db2.gz WNBOSGFBUMRWHE-SFTDATJTSA-N 1 2 454.575 1.432 20 0 JDADLO O=C(NC[C@@H](CO)Cc1ccccc1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477814642 1069863789 /nfs/dbraw/zinc/86/37/89/1069863789.db2.gz WNBOSGFBUMRWHE-LEWJYISDSA-N 1 2 454.575 1.432 20 0 JDADLO O=C(NC[C@@H](CO)Cc1ccccc1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477814642 1069863791 /nfs/dbraw/zinc/86/37/91/1069863791.db2.gz WNBOSGFBUMRWHE-LEWJYISDSA-N 1 2 454.575 1.432 20 0 JDADLO CC(C)CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477815015 1069864339 /nfs/dbraw/zinc/86/43/39/1069864339.db2.gz ZKZOTMMLUYNYGM-HXUWFJFHSA-N 1 2 456.595 1.883 20 0 JDADLO CC(C)CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477815015 1069864340 /nfs/dbraw/zinc/86/43/40/1069864340.db2.gz ZKZOTMMLUYNYGM-HXUWFJFHSA-N 1 2 456.595 1.883 20 0 JDADLO C[C@@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1)[C@@H](C)[NH+]1CCOCC1 ZINC001477826643 1069865638 /nfs/dbraw/zinc/86/56/38/1069865638.db2.gz XAHGAOGXQYAOIK-HZPDHXFCSA-N 1 2 453.381 1.912 20 0 JDADLO O=C(NCCCN1C(=O)CNC1=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001477844811 1069867459 /nfs/dbraw/zinc/86/74/59/1069867459.db2.gz FLZLIPKWSDOGGU-UHFFFAOYSA-N 1 2 453.297 1.392 20 0 JDADLO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001502211292 1069866891 /nfs/dbraw/zinc/86/68/91/1069866891.db2.gz LTZSADAZQMHFJT-ZWKOTPCHSA-N 1 2 475.681 1.316 20 0 JDADLO COCCNS(=O)(=O)c1cccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC001477968873 1069883530 /nfs/dbraw/zinc/88/35/30/1069883530.db2.gz IWKOKCHSSIFNDF-UHFFFAOYSA-N 1 2 450.561 1.973 20 0 JDADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001478009325 1069889022 /nfs/dbraw/zinc/88/90/22/1069889022.db2.gz VSJISDBTXALPCH-KRWDZBQOSA-N 1 2 458.650 1.827 20 0 JDADLO C[C@H](O)C[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccccc1 ZINC001478166091 1069911514 /nfs/dbraw/zinc/91/15/14/1069911514.db2.gz JZQCBOZAJHJQEI-FPOVZHCZSA-N 1 2 454.575 1.700 20 0 JDADLO C[C@H](O)C[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccccc1 ZINC001478166091 1069911543 /nfs/dbraw/zinc/91/15/43/1069911543.db2.gz JZQCBOZAJHJQEI-FPOVZHCZSA-N 1 2 454.575 1.700 20 0 JDADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001502245074 1069920594 /nfs/dbraw/zinc/92/05/94/1069920594.db2.gz PBIPENOZASQUPN-FGTMMUONSA-N 1 2 457.641 1.888 20 0 JDADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001502245074 1069920625 /nfs/dbraw/zinc/92/06/25/1069920625.db2.gz PBIPENOZASQUPN-FGTMMUONSA-N 1 2 457.641 1.888 20 0 JDADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1C ZINC001502245075 1069920023 /nfs/dbraw/zinc/92/00/23/1069920023.db2.gz PBIPENOZASQUPN-OKZBNKHCSA-N 1 2 457.641 1.888 20 0 JDADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1C ZINC001502245075 1069920043 /nfs/dbraw/zinc/92/00/43/1069920043.db2.gz PBIPENOZASQUPN-OKZBNKHCSA-N 1 2 457.641 1.888 20 0 JDADLO CCS(=O)(=O)N1CCC(NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001478229300 1069932727 /nfs/dbraw/zinc/93/27/27/1069932727.db2.gz RCKTUEGOAJLVNH-IBGZPJMESA-N 1 2 452.621 1.733 20 0 JDADLO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001478272123 1069948042 /nfs/dbraw/zinc/94/80/42/1069948042.db2.gz YEOQFCJPGCRDMQ-QBUWPKIASA-N 1 2 450.605 1.622 20 0 JDADLO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001478272123 1069948086 /nfs/dbraw/zinc/94/80/86/1069948086.db2.gz YEOQFCJPGCRDMQ-QBUWPKIASA-N 1 2 450.605 1.622 20 0 JDADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001502261845 1069963309 /nfs/dbraw/zinc/96/33/09/1069963309.db2.gz QITORPRTDQBSER-CVEARBPZSA-N 1 2 468.649 1.623 20 0 JDADLO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001502261845 1069963328 /nfs/dbraw/zinc/96/33/28/1069963328.db2.gz QITORPRTDQBSER-CVEARBPZSA-N 1 2 468.649 1.623 20 0 JDADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)C(C)(C)C)C[C@H]1C ZINC001502262000 1069963522 /nfs/dbraw/zinc/96/35/22/1069963522.db2.gz SEASQHFCPJDYKZ-SJORKVTESA-N 1 2 454.641 1.533 20 0 JDADLO 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CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)[nH+]2)CC1=O ZINC001502301409 1070046565 /nfs/dbraw/zinc/04/65/65/1070046565.db2.gz GAEWQCVPNHYSBH-KRWDZBQOSA-N 1 2 463.608 1.283 20 0 JDADLO CCN1CCCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC001502301461 1070046739 /nfs/dbraw/zinc/04/67/39/1070046739.db2.gz HLRQMPGNNWUTEP-CVDCTZTESA-N 1 2 496.678 1.269 20 0 JDADLO Cn1c[nH+]c(CCNC(=O)N2CCC(c3nnc4n3CCN(C(=O)OC(C)(C)C)C4)CC2)c1 ZINC001478784712 1070052012 /nfs/dbraw/zinc/05/20/12/1070052012.db2.gz UCFRNUFEEKEQFP-UHFFFAOYSA-N 1 2 458.567 1.894 20 0 JDADLO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001502308185 1070061754 /nfs/dbraw/zinc/06/17/54/1070061754.db2.gz KUNHYWDDPAVRSG-UHFFFAOYSA-N 1 2 497.644 1.697 20 0 JDADLO CCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001502306948 1070059108 /nfs/dbraw/zinc/05/91/08/1070059108.db2.gz PIEXSWBXDXQJPL-UHFFFAOYSA-N 1 2 471.581 1.231 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3cc(=O)n4ccccc4n3)C2)CC1 ZINC001478907709 1070066492 /nfs/dbraw/zinc/06/64/92/1070066492.db2.gz VOUVYDJDUUEEQU-SFHVURJKSA-N 1 2 456.547 1.531 20 0 JDADLO CC(C)(C)c1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(=O)[nH]1 ZINC001479109629 1070088025 /nfs/dbraw/zinc/08/80/25/1070088025.db2.gz QYHWYKWVSFIWSX-UHFFFAOYSA-N 1 2 455.563 1.743 20 0 JDADLO CC(C)(C)c1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(=O)[nH]1 ZINC001479109629 1070088043 /nfs/dbraw/zinc/08/80/43/1070088043.db2.gz QYHWYKWVSFIWSX-UHFFFAOYSA-N 1 2 455.563 1.743 20 0 JDADLO CCOc1ccc(N2CCN(C(=O)NC[C@H]3C[N@H+](Cc4cccc(C)c4)CCO3)CC2)nn1 ZINC001479134444 1070092165 /nfs/dbraw/zinc/09/21/65/1070092165.db2.gz XFOQEXIEAUHAIN-NRFANRHFSA-N 1 2 454.575 1.916 20 0 JDADLO CCOc1ccc(N2CCN(C(=O)NC[C@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)CC2)nn1 ZINC001479134444 1070092182 /nfs/dbraw/zinc/09/21/82/1070092182.db2.gz XFOQEXIEAUHAIN-NRFANRHFSA-N 1 2 454.575 1.916 20 0 JDADLO 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O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC001479391895 1070142759 /nfs/dbraw/zinc/14/27/59/1070142759.db2.gz KHHNYDKRQACPKO-MRXNPFEDSA-N 1 2 453.337 1.080 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001502327833 1070154073 /nfs/dbraw/zinc/15/40/73/1070154073.db2.gz VBGBKWHXYZGJTM-SJLPKXTDSA-N 1 2 493.630 1.785 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001502327833 1070154091 /nfs/dbraw/zinc/15/40/91/1070154091.db2.gz VBGBKWHXYZGJTM-SJLPKXTDSA-N 1 2 493.630 1.785 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001502327832 1070154590 /nfs/dbraw/zinc/15/45/90/1070154590.db2.gz VBGBKWHXYZGJTM-FUHWJXTLSA-N 1 2 493.630 1.785 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001502327832 1070154607 /nfs/dbraw/zinc/15/46/07/1070154607.db2.gz VBGBKWHXYZGJTM-FUHWJXTLSA-N 1 2 493.630 1.785 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC001502327887 1070155820 /nfs/dbraw/zinc/15/58/20/1070155820.db2.gz WAYIWNAVEFFUPG-MOPGFXCFSA-N 1 2 474.631 1.966 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC001502327887 1070155835 /nfs/dbraw/zinc/15/58/35/1070155835.db2.gz WAYIWNAVEFFUPG-MOPGFXCFSA-N 1 2 474.631 1.966 20 0 JDADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC3(COC)CCC3)C2)CC1 ZINC001502332586 1070171253 /nfs/dbraw/zinc/17/12/53/1070171253.db2.gz NQDQWNWEMWWTIR-HXUWFJFHSA-N 1 2 461.655 1.839 20 0 JDADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3C[C@@H](F)COC)C2)CC1 ZINC001502332004 1070167753 /nfs/dbraw/zinc/16/77/53/1070167753.db2.gz BEDBORHCGZJQAA-QZTJIDSGSA-N 1 2 460.558 1.126 20 0 JDADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3C[C@H](F)COC)C2)CC1 ZINC001502332005 1070168567 /nfs/dbraw/zinc/16/85/67/1070168567.db2.gz BEDBORHCGZJQAA-ROUUACIJSA-N 1 2 460.558 1.126 20 0 JDADLO C[C@H](NC(=O)N1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001479594245 1070169752 /nfs/dbraw/zinc/16/97/52/1070169752.db2.gz FEZVHAROXHFNPI-GBESFXJTSA-N 1 2 453.628 1.726 20 0 JDADLO C[C@H](NC(=O)N1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001479594245 1070169768 /nfs/dbraw/zinc/16/97/68/1070169768.db2.gz FEZVHAROXHFNPI-GBESFXJTSA-N 1 2 453.628 1.726 20 0 JDADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCOc3ncccc3Cl)C2)CC1 ZINC001502332150 1070170045 /nfs/dbraw/zinc/17/00/45/1070170045.db2.gz DZZDZTXHDDZYJD-SFHVURJKSA-N 1 2 491.040 1.760 20 0 JDADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCN(C)c3ccccc3)C2)CC1 ZINC001502332772 1070173100 /nfs/dbraw/zinc/17/31/00/1070173100.db2.gz ROXWMOTZVRFBRZ-QFIPXVFZSA-N 1 2 468.650 1.769 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CCSC3)CC2)on1 ZINC001493153093 1070217071 /nfs/dbraw/zinc/21/70/71/1070217071.db2.gz IUSAPCJPCWWPNU-HZPDHXFCSA-N 1 2 469.637 1.260 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3sccc3C)CC2)on1 ZINC001493154005 1070219200 /nfs/dbraw/zinc/21/92/00/1070219200.db2.gz WSTXURWTXOTGBX-MRXNPFEDSA-N 1 2 479.632 1.925 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3CCCCO3)CC2)on1 ZINC001493154024 1070219302 /nfs/dbraw/zinc/21/93/02/1070219302.db2.gz XCOGZDQFACOWJA-IRXDYDNUSA-N 1 2 467.596 1.076 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCCC(C)C)CC2)on1 ZINC001493156781 1070219789 /nfs/dbraw/zinc/21/97/89/1070219789.db2.gz KGSMRMSQMGCIRC-HXUWFJFHSA-N 1 2 495.650 1.666 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cccn4C)n3CCS(=O)(=O)NC(C)C)CC2)on1 ZINC001493157230 1070220312 /nfs/dbraw/zinc/22/03/12/1070220312.db2.gz QKIXFNVPCYFTOW-UHFFFAOYSA-N 1 2 476.607 1.230 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCCOC4)n3CCS(=O)(=O)NC(C)C)CC2)on1 ZINC001493157165 1070220498 /nfs/dbraw/zinc/22/04/98/1070220498.db2.gz PALUFDGMCUENGA-GOSISDBHSA-N 1 2 481.623 1.119 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(=O)N(C)C)CC2)on1 ZINC001493156896 1070220791 /nfs/dbraw/zinc/22/07/91/1070220791.db2.gz MMLQNQJOWPXXCD-UHFFFAOYSA-N 1 2 477.367 1.743 20 0 JDADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001493243878 1070265067 /nfs/dbraw/zinc/26/50/67/1070265067.db2.gz IURRUGSBNLTKRB-CEXWTWQISA-N 1 2 484.667 1.204 20 0 JDADLO C[C@@H]1C[C@@H](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001493280920 1070277264 /nfs/dbraw/zinc/27/72/64/1070277264.db2.gz HHOKUVAYXWDRAB-MOPGFXCFSA-N 1 2 457.579 1.899 20 0 JDADLO C[C@H]1C[C@H](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001493280926 1070277687 /nfs/dbraw/zinc/27/76/87/1070277687.db2.gz HHOKUVAYXWDRAB-RBUKOAKNSA-N 1 2 457.579 1.899 20 0 JDADLO C[C@@H]1C[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001493341014 1070294626 /nfs/dbraw/zinc/29/46/26/1070294626.db2.gz NAHHTEGGMAMVCK-QZTJIDSGSA-N 1 2 462.620 1.853 20 0 JDADLO CCn1nc(-c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[N@@H+]2CCOC[C@H]2C)c2ccccc2c1=O ZINC001502361777 1070305592 /nfs/dbraw/zinc/30/55/92/1070305592.db2.gz PAFSYQSMIWECBM-QZTJIDSGSA-N 1 2 496.616 1.214 20 0 JDADLO CCn1nc(-c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[N@H+]2CCOC[C@H]2C)c2ccccc2c1=O ZINC001502361777 1070305612 /nfs/dbraw/zinc/30/56/12/1070305612.db2.gz PAFSYQSMIWECBM-QZTJIDSGSA-N 1 2 496.616 1.214 20 0 JDADLO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+]2CCOC[C@H]2C)c2ccccc2c1=O ZINC001502361955 1070306056 /nfs/dbraw/zinc/30/60/56/1070306056.db2.gz ULNIHVMGKOAMLA-GOSISDBHSA-N 1 2 496.616 1.356 20 0 JDADLO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@H+]2CCOC[C@H]2C)c2ccccc2c1=O ZINC001502361955 1070306077 /nfs/dbraw/zinc/30/60/77/1070306077.db2.gz ULNIHVMGKOAMLA-GOSISDBHSA-N 1 2 496.616 1.356 20 0 JDADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC(=O)N(C)C)CC1 ZINC001493648533 1070324231 /nfs/dbraw/zinc/32/42/31/1070324231.db2.gz JGKJKPKOBPUHFH-IBGZPJMESA-N 1 2 468.606 1.341 20 0 JDADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001493650121 1070324467 /nfs/dbraw/zinc/32/44/67/1070324467.db2.gz NUJBEEBEUSROTL-IBGZPJMESA-N 1 2 499.664 1.506 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001502391310 1070334541 /nfs/dbraw/zinc/33/45/41/1070334541.db2.gz IDWOVMCFGVYKLT-SFHVURJKSA-N 1 2 463.627 1.110 20 0 JDADLO CCNC(=O)C1(Cn2c(CC)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)CCC1 ZINC001502402268 1070346000 /nfs/dbraw/zinc/34/60/00/1070346000.db2.gz DTACLLQIAUJLCS-FQEVSTJZSA-N 1 2 461.655 1.378 20 0 JDADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001493855118 1070363243 /nfs/dbraw/zinc/36/32/43/1070363243.db2.gz UZQXFGRDQIMIQN-QRVBRYPASA-N 1 2 491.637 1.643 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@H]2C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493873020 1070367387 /nfs/dbraw/zinc/36/73/87/1070367387.db2.gz IZHMVGHDDDGTPH-QZTJIDSGSA-N 1 2 477.635 1.793 20 0 JDADLO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)[C@H]1C ZINC001493972490 1070373267 /nfs/dbraw/zinc/37/32/67/1070373267.db2.gz KCIJDNZBTVDXHD-FGTMMUONSA-N 1 2 463.608 1.743 20 0 JDADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001494114747 1070401532 /nfs/dbraw/zinc/40/15/32/1070401532.db2.gz PSQHXIIFTFJBRN-KBRIMQKVSA-N 1 2 461.517 1.477 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494127299 1070414351 /nfs/dbraw/zinc/41/43/51/1070414351.db2.gz HKYWCWJVZRRWJB-HZPDHXFCSA-N 1 2 463.608 1.403 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494130654 1070419139 /nfs/dbraw/zinc/41/91/39/1070419139.db2.gz VCRIZDUDVCBAGN-GVDBMIGSSA-N 1 2 463.608 1.545 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494134778 1070422913 /nfs/dbraw/zinc/42/29/13/1070422913.db2.gz ANNOJPZRMMXYIF-ZWKOTPCHSA-N 1 2 464.574 1.632 20 0 JDADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494134949 1070422557 /nfs/dbraw/zinc/42/25/57/1070422557.db2.gz BTHPZPOHKAAZJB-SJORKVTESA-N 1 2 462.620 1.768 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494135326 1070424416 /nfs/dbraw/zinc/42/44/16/1070424416.db2.gz DNDGVYOWNGFCEJ-ZWKOTPCHSA-N 1 2 464.574 1.632 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494136201 1070427079 /nfs/dbraw/zinc/42/70/79/1070427079.db2.gz KDQSAYKREQBJAL-ROUUACIJSA-N 1 2 464.574 1.632 20 0 JDADLO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001494139891 1070433653 /nfs/dbraw/zinc/43/36/53/1070433653.db2.gz KXDKJSAQYMRJOZ-MOPGFXCFSA-N 1 2 457.579 1.897 20 0 JDADLO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001494139894 1070435411 /nfs/dbraw/zinc/43/54/11/1070435411.db2.gz KXDKJSAQYMRJOZ-RTBURBONSA-N 1 2 457.579 1.897 20 0 JDADLO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC001494139892 1070435936 /nfs/dbraw/zinc/43/59/36/1070435936.db2.gz KXDKJSAQYMRJOZ-OALUTQOASA-N 1 2 457.579 1.897 20 0 JDADLO CCNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001502454291 1070455780 /nfs/dbraw/zinc/45/57/80/1070455780.db2.gz DNPFPYLRMHBFJG-IAGOWNOFSA-N 1 2 495.675 1.396 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001494189986 1070462431 /nfs/dbraw/zinc/46/24/31/1070462431.db2.gz GJQDCDHQIQNSAX-QZTJIDSGSA-N 1 2 477.635 1.937 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502460868 1070478791 /nfs/dbraw/zinc/47/87/91/1070478791.db2.gz HAFVPWMXQPVAOO-HXUWFJFHSA-N 1 2 471.606 1.738 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502460868 1070478824 /nfs/dbraw/zinc/47/88/24/1070478824.db2.gz HAFVPWMXQPVAOO-HXUWFJFHSA-N 1 2 471.606 1.738 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001502459368 1070476042 /nfs/dbraw/zinc/47/60/42/1070476042.db2.gz YGJBWFSAWHNQCI-UHFFFAOYSA-N 1 2 460.627 1.026 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(COCC)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC001502461068 1070480134 /nfs/dbraw/zinc/48/01/34/1070480134.db2.gz JSGDITSJGLTYPL-SFHVURJKSA-N 1 2 472.594 1.335 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001502466177 1070509189 /nfs/dbraw/zinc/50/91/89/1070509189.db2.gz MRRJJFLIPFMIIS-MJGOQNOKSA-N 1 2 477.635 1.590 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C)n2C[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC001502466818 1070515650 /nfs/dbraw/zinc/51/56/50/1070515650.db2.gz XTDDWOUHWUXBFY-IAGOWNOFSA-N 1 2 454.622 1.240 20 0 JDADLO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001494335455 1070545652 /nfs/dbraw/zinc/54/56/52/1070545652.db2.gz VERKGXUPFWYUNN-FCGDIQPGSA-N 1 2 464.611 1.852 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC001502478578 1070566185 /nfs/dbraw/zinc/56/61/85/1070566185.db2.gz YEGMZSVPQHSKHN-ICSRJNTNSA-N 1 2 491.662 1.663 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC001502478580 1070566314 /nfs/dbraw/zinc/56/63/14/1070566314.db2.gz YEGMZSVPQHSKHN-UYAOXDASSA-N 1 2 491.662 1.663 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC001502478579 1070566384 /nfs/dbraw/zinc/56/63/84/1070566384.db2.gz YEGMZSVPQHSKHN-QUCCMNQESA-N 1 2 491.662 1.663 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001502480930 1070578156 /nfs/dbraw/zinc/57/81/56/1070578156.db2.gz YSPOIFIJOCHREW-GOSISDBHSA-N 1 2 457.560 1.234 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(COCC)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001502482106 1070580877 /nfs/dbraw/zinc/58/08/77/1070580877.db2.gz CSNHRHWBCFVKIA-IBGZPJMESA-N 1 2 477.635 1.766 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001502480931 1070578577 /nfs/dbraw/zinc/57/85/77/1070578577.db2.gz YSPOIFIJOCHREW-SFHVURJKSA-N 1 2 457.560 1.234 20 0 JDADLO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001494464301 1070592487 /nfs/dbraw/zinc/59/24/87/1070592487.db2.gz IKPFYNJQCWVJSU-GUDVDZBRSA-N 1 2 491.637 1.471 20 0 JDADLO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001494464301 1070592506 /nfs/dbraw/zinc/59/25/06/1070592506.db2.gz IKPFYNJQCWVJSU-GUDVDZBRSA-N 1 2 491.637 1.471 20 0 JDADLO CCOC(=O)N(C)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001502484558 1070595559 /nfs/dbraw/zinc/59/55/59/1070595559.db2.gz SKWZEBRPNISBLQ-UHFFFAOYSA-N 1 2 491.637 1.682 20 0 JDADLO CCOC(=O)N(C)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001502484558 1070595574 /nfs/dbraw/zinc/59/55/74/1070595574.db2.gz SKWZEBRPNISBLQ-UHFFFAOYSA-N 1 2 491.637 1.682 20 0 JDADLO C[C@@H]1C[NH+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOCC2)C[C@@H](C)O1 ZINC001494516404 1070607803 /nfs/dbraw/zinc/60/78/03/1070607803.db2.gz BGVBFZRTLINKPF-QZTJIDSGSA-N 1 2 463.604 1.685 20 0 JDADLO CCOC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001502521165 1070638315 /nfs/dbraw/zinc/63/83/15/1070638315.db2.gz ZBVSPISSLCIETH-SFHVURJKSA-N 1 2 477.610 1.340 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 ZINC001494600923 1070649056 /nfs/dbraw/zinc/64/90/56/1070649056.db2.gz AVRWFZRCFGGOOG-HKUYNNGSSA-N 1 2 491.637 1.773 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 ZINC001494600923 1070649061 /nfs/dbraw/zinc/64/90/61/1070649061.db2.gz AVRWFZRCFGGOOG-HKUYNNGSSA-N 1 2 491.637 1.773 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001494601328 1070649867 /nfs/dbraw/zinc/64/98/67/1070649867.db2.gz DRFVLTQUSZGHTA-QRVBRYPASA-N 1 2 464.611 1.996 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001494601328 1070649878 /nfs/dbraw/zinc/64/98/78/1070649878.db2.gz DRFVLTQUSZGHTA-QRVBRYPASA-N 1 2 464.611 1.996 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001494601620 1070649905 /nfs/dbraw/zinc/64/99/05/1070649905.db2.gz IFBSCVAFVDWZNA-BZSNNMDCSA-N 1 2 479.626 1.771 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001494601620 1070649910 /nfs/dbraw/zinc/64/99/10/1070649910.db2.gz IFBSCVAFVDWZNA-BZSNNMDCSA-N 1 2 479.626 1.771 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494601740 1070650679 /nfs/dbraw/zinc/65/06/79/1070650679.db2.gz AEYHVQJCOOBQAY-QGZVFWFLSA-N 1 2 482.676 1.511 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494601740 1070650681 /nfs/dbraw/zinc/65/06/81/1070650681.db2.gz AEYHVQJCOOBQAY-QGZVFWFLSA-N 1 2 482.676 1.511 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001494601675 1070650728 /nfs/dbraw/zinc/65/07/28/1070650728.db2.gz IZLRYKUEQPHONV-RBUKOAKNSA-N 1 2 491.637 1.567 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001494601675 1070650735 /nfs/dbraw/zinc/65/07/35/1070650735.db2.gz IZLRYKUEQPHONV-RBUKOAKNSA-N 1 2 491.637 1.567 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494601738 1070651051 /nfs/dbraw/zinc/65/10/51/1070651051.db2.gz AEYHVQJCOOBQAY-KRWDZBQOSA-N 1 2 482.676 1.511 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494601738 1070651069 /nfs/dbraw/zinc/65/10/69/1070651069.db2.gz AEYHVQJCOOBQAY-KRWDZBQOSA-N 1 2 482.676 1.511 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604234 1070656270 /nfs/dbraw/zinc/65/62/70/1070656270.db2.gz MLOHGNURRMEJAD-CVEARBPZSA-N 1 2 464.508 1.525 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494601970 1070651969 /nfs/dbraw/zinc/65/19/69/1070651969.db2.gz CNTNHMSTJJVYQX-RDJZCZTQSA-N 1 2 474.528 1.398 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494601970 1070651977 /nfs/dbraw/zinc/65/19/77/1070651977.db2.gz CNTNHMSTJJVYQX-RDJZCZTQSA-N 1 2 474.528 1.398 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCOc1ccccc1F ZINC001494601979 1070652120 /nfs/dbraw/zinc/65/21/20/1070652120.db2.gz KODLTIKJTNDDEJ-SFHVURJKSA-N 1 2 460.554 1.776 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCOc1ccccc1F ZINC001494601979 1070652124 /nfs/dbraw/zinc/65/21/24/1070652124.db2.gz KODLTIKJTNDDEJ-SFHVURJKSA-N 1 2 460.554 1.776 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001494602241 1070652139 /nfs/dbraw/zinc/65/21/39/1070652139.db2.gz MCVLEFKKZBVZAT-LJQANCHMSA-N 1 2 492.646 1.138 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001494602241 1070652150 /nfs/dbraw/zinc/65/21/50/1070652150.db2.gz MCVLEFKKZBVZAT-LJQANCHMSA-N 1 2 492.646 1.138 20 0 JDADLO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001494603658 1070655932 /nfs/dbraw/zinc/65/59/32/1070655932.db2.gz ULBNWCJJNURDDC-WOJBJXKFSA-N 1 2 461.655 1.429 20 0 JDADLO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001494603658 1070655942 /nfs/dbraw/zinc/65/59/42/1070655942.db2.gz ULBNWCJJNURDDC-WOJBJXKFSA-N 1 2 461.655 1.429 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001494602641 1070653076 /nfs/dbraw/zinc/65/30/76/1070653076.db2.gz OPDRLHDWQWKVNY-ROUUACIJSA-N 1 2 477.610 1.225 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001494602641 1070653081 /nfs/dbraw/zinc/65/30/81/1070653081.db2.gz OPDRLHDWQWKVNY-ROUUACIJSA-N 1 2 477.610 1.225 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001494602876 1070653126 /nfs/dbraw/zinc/65/31/26/1070653126.db2.gz PMAWRVHBJYEUKK-MRXNPFEDSA-N 1 2 477.635 1.341 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001494602876 1070653129 /nfs/dbraw/zinc/65/31/29/1070653129.db2.gz PMAWRVHBJYEUKK-MRXNPFEDSA-N 1 2 477.635 1.341 20 0 JDADLO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001502533158 1070654409 /nfs/dbraw/zinc/65/44/09/1070654409.db2.gz FVEGTQJYGFOACC-FQEVSTJZSA-N 1 2 489.646 1.809 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604234 1070656285 /nfs/dbraw/zinc/65/62/85/1070656285.db2.gz MLOHGNURRMEJAD-CVEARBPZSA-N 1 2 464.508 1.525 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494604087 1070655447 /nfs/dbraw/zinc/65/54/47/1070655447.db2.gz WSRDRTMHZLCMRZ-FQEVSTJZSA-N 1 2 492.646 1.092 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494604087 1070655483 /nfs/dbraw/zinc/65/54/83/1070655483.db2.gz WSRDRTMHZLCMRZ-FQEVSTJZSA-N 1 2 492.646 1.092 20 0 JDADLO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001494603657 1070655690 /nfs/dbraw/zinc/65/56/90/1070655690.db2.gz ULBNWCJJNURDDC-VQTJNVASSA-N 1 2 461.655 1.429 20 0 JDADLO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001494603657 1070655702 /nfs/dbraw/zinc/65/57/02/1070655702.db2.gz ULBNWCJJNURDDC-VQTJNVASSA-N 1 2 461.655 1.429 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604239 1070657617 /nfs/dbraw/zinc/65/76/17/1070657617.db2.gz MLOHGNURRMEJAD-HOTGVXAUSA-N 1 2 464.508 1.525 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604239 1070657628 /nfs/dbraw/zinc/65/76/28/1070657628.db2.gz MLOHGNURRMEJAD-HOTGVXAUSA-N 1 2 464.508 1.525 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001494605333 1070659678 /nfs/dbraw/zinc/65/96/78/1070659678.db2.gz VTJYMCAZTXNJBT-MOPGFXCFSA-N 1 2 463.627 1.523 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001494605333 1070659696 /nfs/dbraw/zinc/65/96/96/1070659696.db2.gz VTJYMCAZTXNJBT-MOPGFXCFSA-N 1 2 463.627 1.523 20 0 JDADLO C[C@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001494646818 1070673299 /nfs/dbraw/zinc/67/32/99/1070673299.db2.gz WTMSWDRMWXHJRI-KUHUBIRLSA-N 1 2 469.384 1.344 20 0 JDADLO CCO[C@]1(c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502620994 1070696935 /nfs/dbraw/zinc/69/69/35/1070696935.db2.gz FHMHXMNQRAOKKA-LAUBAEHRSA-N 1 2 464.592 1.063 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)[C@@H]3CCSC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502625620 1070710655 /nfs/dbraw/zinc/71/06/55/1070710655.db2.gz YBUCJHODXUNVIS-NQIIRXRSSA-N 1 2 452.625 1.036 20 0 JDADLO CCO[C@]1(c2nnc(N(C)C[C@H]3CCN(C(C)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502648604 1070721350 /nfs/dbraw/zinc/72/13/50/1070721350.db2.gz CGACXWRVICNSRW-HYBUGGRVSA-N 1 2 478.638 1.346 20 0 JDADLO CCO[C@]1(c2nnc(N(C)C[C@H]3CCN(C(C)=O)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502648604 1070721367 /nfs/dbraw/zinc/72/13/67/1070721367.db2.gz CGACXWRVICNSRW-HYBUGGRVSA-N 1 2 478.638 1.346 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)C[C@H]3CCN(C(C)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502648608 1070721602 /nfs/dbraw/zinc/72/16/02/1070721602.db2.gz CGACXWRVICNSRW-YKSBVNFPSA-N 1 2 478.638 1.346 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)C[C@H]3CCN(C(C)=O)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502648608 1070721618 /nfs/dbraw/zinc/72/16/18/1070721618.db2.gz CGACXWRVICNSRW-YKSBVNFPSA-N 1 2 478.638 1.346 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCOC1 ZINC001502655419 1070729393 /nfs/dbraw/zinc/72/93/93/1070729393.db2.gz UPGSODNOCBROAS-GHTZIAJQSA-N 1 2 490.571 1.583 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CCc2scnc2C)CCOC1 ZINC001502655544 1070729621 /nfs/dbraw/zinc/72/96/21/1070729621.db2.gz WQBZTGNKNNCBKC-OAQYLSRUSA-N 1 2 450.609 1.706 20 0 JDADLO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001494731303 1070729456 /nfs/dbraw/zinc/72/94/56/1070729456.db2.gz CQBDVLNLHOEYTD-IWFBPKFRSA-N 1 2 464.611 1.218 20 0 JDADLO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001494731303 1070729479 /nfs/dbraw/zinc/72/94/79/1070729479.db2.gz CQBDVLNLHOEYTD-IWFBPKFRSA-N 1 2 464.611 1.218 20 0 JDADLO CCO[C@]1(c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001502661153 1070736819 /nfs/dbraw/zinc/73/68/19/1070736819.db2.gz ZZCUIZMTURCDLA-HOYKHHGWSA-N 1 2 471.606 1.887 20 0 JDADLO CC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001494786147 1070744461 /nfs/dbraw/zinc/74/44/61/1070744461.db2.gz MXQNRHPLAHIKAJ-VWLOTQADSA-N 1 2 486.617 1.868 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502668159 1070747655 /nfs/dbraw/zinc/74/76/55/1070747655.db2.gz CFDMTDADOCSDEB-NRFANRHFSA-N 1 2 486.539 1.793 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(C)(COC)CC3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502672251 1070756317 /nfs/dbraw/zinc/75/63/17/1070756317.db2.gz KOUCSSCTOQVOKI-CVDCTZTESA-N 1 2 451.612 1.904 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001494888234 1070766812 /nfs/dbraw/zinc/76/68/12/1070766812.db2.gz UIFPSHUUJGBDRC-CYFREDJKSA-N 1 2 455.607 1.882 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502678934 1070765939 /nfs/dbraw/zinc/76/59/39/1070765939.db2.gz VDHJORXFIKHSPY-HSZRJFAPSA-N 1 2 464.611 1.133 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502678934 1070765958 /nfs/dbraw/zinc/76/59/58/1070765958.db2.gz VDHJORXFIKHSPY-HSZRJFAPSA-N 1 2 464.611 1.133 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001494898596 1070767753 /nfs/dbraw/zinc/76/77/53/1070767753.db2.gz RKLFQHWTAJPGNU-DFIYOIEZSA-N 1 2 486.665 1.999 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001494915465 1070772389 /nfs/dbraw/zinc/77/23/89/1070772389.db2.gz FTIKBTVHJARXEA-NPPFBWRTSA-N 1 2 462.620 1.699 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001494915466 1070772486 /nfs/dbraw/zinc/77/24/86/1070772486.db2.gz FTIKBTVHJARXEA-SPEDKVCISA-N 1 2 462.620 1.699 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001502683416 1070781007 /nfs/dbraw/zinc/78/10/07/1070781007.db2.gz PLUYYGGACSEENF-HSZRJFAPSA-N 1 2 492.646 1.784 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCCNc2cccc[nH+]2)CCOC1 ZINC001502685272 1070791491 /nfs/dbraw/zinc/79/14/91/1070791491.db2.gz UEVQHQWPRFUXNE-JOCHJYFZSA-N 1 2 478.619 1.841 20 0 JDADLO COC1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001504031168 1070793079 /nfs/dbraw/zinc/79/30/79/1070793079.db2.gz FXUAMMYNYBZRPZ-INIZCTEOSA-N 1 2 459.576 1.407 20 0 JDADLO COC1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001504031170 1070793537 /nfs/dbraw/zinc/79/35/37/1070793537.db2.gz FXUAMMYNYBZRPZ-MRXNPFEDSA-N 1 2 459.576 1.407 20 0 JDADLO CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001495277157 1070801134 /nfs/dbraw/zinc/80/11/34/1070801134.db2.gz SEQFYJFVYPSHGM-MMKMLUHNSA-N 1 2 480.679 1.605 20 0 JDADLO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001495277157 1070801135 /nfs/dbraw/zinc/80/11/35/1070801135.db2.gz SEQFYJFVYPSHGM-MMKMLUHNSA-N 1 2 480.679 1.605 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](C(C)C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502689306 1070801310 /nfs/dbraw/zinc/80/13/10/1070801310.db2.gz XVWZAZYMYQNTFR-ZJSXRUAMSA-N 1 2 462.639 1.967 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001502689492 1070801492 /nfs/dbraw/zinc/80/14/92/1070801492.db2.gz ZMOQGMFWFVFSPN-DVECYGJZSA-N 1 2 471.606 1.921 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](NC(C)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502692957 1070805160 /nfs/dbraw/zinc/80/51/60/1070805160.db2.gz LLCRTUOYRCVRNX-WMZHIEFXSA-N 1 2 457.579 1.544 20 0 JDADLO CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001495491308 1070805688 /nfs/dbraw/zinc/80/56/88/1070805688.db2.gz MXKRHMHJIWEXPJ-SFHVURJKSA-N 1 2 491.662 1.980 20 0 JDADLO COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC001504049875 1070806483 /nfs/dbraw/zinc/80/64/83/1070806483.db2.gz VUNABLYDMSGSOV-QGZVFWFLSA-N 1 2 463.608 1.569 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502694235 1070807557 /nfs/dbraw/zinc/80/75/57/1070807557.db2.gz YVLUXKCNMOJJGA-OHUGHZGNSA-N 1 2 492.665 1.782 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502694235 1070807559 /nfs/dbraw/zinc/80/75/59/1070807559.db2.gz YVLUXKCNMOJJGA-OHUGHZGNSA-N 1 2 492.665 1.782 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502695336 1070808581 /nfs/dbraw/zinc/80/85/81/1070808581.db2.gz MFFIHOODBKDQPY-SQJMNOBHSA-N 1 2 492.665 1.878 20 0 JDADLO CCO[C@]1(c2nnc(N3CCCC[C@@H](SC)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502704970 1070811357 /nfs/dbraw/zinc/81/13/57/1070811357.db2.gz NANXWZRTYCNNEY-NFBKMPQASA-N 1 2 480.679 1.816 20 0 JDADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001495719510 1070817526 /nfs/dbraw/zinc/81/75/26/1070817526.db2.gz ONIKWNGVHIULEI-RBUKOAKNSA-N 1 2 483.683 1.252 20 0 JDADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCNC(=O)c1ccco1 ZINC001495717612 1070817553 /nfs/dbraw/zinc/81/75/53/1070817553.db2.gz KGEVMBWOHFYWAM-RTBURBONSA-N 1 2 471.606 1.948 20 0 JDADLO COc1cc(C)c(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC001504062584 1070813511 /nfs/dbraw/zinc/81/35/11/1070813511.db2.gz WOZVVCITAHNIGW-HKUYNNGSSA-N 1 2 472.590 1.912 20 0 JDADLO COc1cc(C)c(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)cc1OC ZINC001504062584 1070813513 /nfs/dbraw/zinc/81/35/13/1070813513.db2.gz WOZVVCITAHNIGW-HKUYNNGSSA-N 1 2 472.590 1.912 20 0 JDADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cnn(CCOC)c1 ZINC001495711732 1070816817 /nfs/dbraw/zinc/81/68/17/1070816817.db2.gz VDRAINBUSMEPQW-PMACEKPBSA-N 1 2 472.638 1.816 20 0 JDADLO COc1cc(Cn2c(C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)ccc1OCCO ZINC001504089105 1070827406 /nfs/dbraw/zinc/82/74/06/1070827406.db2.gz SUOKPNOUZJZDEO-QFIPXVFZSA-N 1 2 488.633 1.246 20 0 JDADLO COc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)cc(OC)c1 ZINC001504091189 1070827854 /nfs/dbraw/zinc/82/78/54/1070827854.db2.gz MHAMQGYBKNYRQB-OXJNMPFZSA-N 1 2 458.563 1.604 20 0 JDADLO COc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)cc(OC)c1 ZINC001504091189 1070827855 /nfs/dbraw/zinc/82/78/55/1070827855.db2.gz MHAMQGYBKNYRQB-OXJNMPFZSA-N 1 2 458.563 1.604 20 0 JDADLO COc1cc(-c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc(OC)c1OC ZINC001504079235 1070822520 /nfs/dbraw/zinc/82/25/20/1070822520.db2.gz KSVVCEUBFGUMLU-UHFFFAOYSA-N 1 2 481.557 1.807 20 0 JDADLO COc1cc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3COCCO3)CC2)cc(OC)c1 ZINC001504099633 1070832788 /nfs/dbraw/zinc/83/27/88/1070832788.db2.gz DIQYEFLKFWLHRX-OAQYLSRUSA-N 1 2 488.589 1.171 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001496209850 1070835483 /nfs/dbraw/zinc/83/54/83/1070835483.db2.gz FEPYYMSUKWBTHV-KRWDZBQOSA-N 1 2 468.606 1.843 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](CC)C3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 ZINC001502725837 1070835735 /nfs/dbraw/zinc/83/57/35/1070835735.db2.gz MZIBQCRGQNVFEA-ZRCGQRJVSA-N 1 2 499.678 1.445 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 ZINC001502725837 1070835737 /nfs/dbraw/zinc/83/57/37/1070835737.db2.gz MZIBQCRGQNVFEA-ZRCGQRJVSA-N 1 2 499.678 1.445 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCC(=O)NC)CCOC1 ZINC001502726320 1070836658 /nfs/dbraw/zinc/83/66/58/1070836658.db2.gz SVNHJMOFOXQHSN-QHCPKHFHSA-N 1 2 460.554 1.528 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001496238237 1070839455 /nfs/dbraw/zinc/83/94/55/1070839455.db2.gz QHHFMLFOJNRFQP-KRWDZBQOSA-N 1 2 458.563 1.747 20 0 JDADLO CCC(CC)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001496510774 1070853672 /nfs/dbraw/zinc/85/36/72/1070853672.db2.gz ZEAKKZYYAHBFCD-KRWDZBQOSA-N 1 2 465.624 1.815 20 0 JDADLO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001496651465 1070855588 /nfs/dbraw/zinc/85/55/88/1070855588.db2.gz RSKCMMSBKFWKNV-AZUAARDMSA-N 1 2 477.635 1.495 20 0 JDADLO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001496658330 1070855914 /nfs/dbraw/zinc/85/59/14/1070855914.db2.gz BYWYAPKNYIBJQQ-SELNLUPBSA-N 1 2 496.678 1.019 20 0 JDADLO CCOc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2(O)CCO[C@H]2C)cc1OC ZINC001502792376 1070857883 /nfs/dbraw/zinc/85/78/83/1070857883.db2.gz BAJCERVCFKZIOC-MHECFPHRSA-N 1 2 475.590 1.661 20 0 JDADLO COc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc[nH+]c2N2CCOCC2)c(OC)c1 ZINC001504156962 1070858614 /nfs/dbraw/zinc/85/86/14/1070858614.db2.gz NAFATUFJDLISJC-KRWDZBQOSA-N 1 2 495.584 1.942 20 0 JDADLO COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc[nH+]c2N2CCOCC2)c(OC)c1 ZINC001504156966 1070858704 /nfs/dbraw/zinc/85/87/04/1070858704.db2.gz NAFATUFJDLISJC-QGZVFWFLSA-N 1 2 495.584 1.942 20 0 JDADLO CCOc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCOC)cc1OC ZINC001502813461 1070861919 /nfs/dbraw/zinc/86/19/19/1070861919.db2.gz AWISSGOCNVMQLO-UHFFFAOYSA-N 1 2 472.590 1.743 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)[NH+]1CCOCC1)CC2 ZINC001502872616 1070871678 /nfs/dbraw/zinc/87/16/78/1070871678.db2.gz MBWREGPSYKQUQG-ROUUACIJSA-N 1 2 492.646 1.570 20 0 JDADLO CCOc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCN(C(C)=O)CC3)CC2)n1 ZINC001502888277 1070874784 /nfs/dbraw/zinc/87/47/84/1070874784.db2.gz QJJUGJGLDXERJI-UHFFFAOYSA-N 1 2 484.649 1.860 20 0 JDADLO CCOc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001502914632 1070880911 /nfs/dbraw/zinc/88/09/11/1070880911.db2.gz MMEBDNRVSZDZHU-HSZRJFAPSA-N 1 2 493.630 1.336 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CCC(C)(C)O)c(OC)c1 ZINC001504198698 1070876596 /nfs/dbraw/zinc/87/65/96/1070876596.db2.gz BYZMLIBTAKZVKF-KRWDZBQOSA-N 1 2 486.617 1.912 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2CC(=O)NC(C)C)cc1 ZINC001504199867 1070878423 /nfs/dbraw/zinc/87/84/23/1070878423.db2.gz JXHCCBIEFQYNPA-LJQANCHMSA-N 1 2 483.617 1.611 20 0 JDADLO CCOc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001502912465 1070879417 /nfs/dbraw/zinc/87/94/17/1070879417.db2.gz CXPPYJYXMOAQLT-SFHVURJKSA-N 1 2 458.563 1.255 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001504202152 1070882504 /nfs/dbraw/zinc/88/25/04/1070882504.db2.gz VJGFJINSKHBOIO-SFHVURJKSA-N 1 2 483.617 1.515 20 0 JDADLO CCOc1ccccc1OCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001502917156 1070882642 /nfs/dbraw/zinc/88/26/42/1070882642.db2.gz FCDYNMJUKDBWLA-HXUWFJFHSA-N 1 2 499.660 1.984 20 0 JDADLO CCOc1ccccc1OCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001502917156 1070882643 /nfs/dbraw/zinc/88/26/43/1070882643.db2.gz FCDYNMJUKDBWLA-HXUWFJFHSA-N 1 2 499.660 1.984 20 0 JDADLO CCOc1ccccc1OCc1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001502921287 1070885100 /nfs/dbraw/zinc/88/51/00/1070885100.db2.gz LNLRAABMEBUFBR-UHFFFAOYSA-N 1 2 486.598 2.000 20 0 JDADLO CCOc1ccnc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOC[C@H]3C)CC2)n1 ZINC001502928226 1070889867 /nfs/dbraw/zinc/88/98/67/1070889867.db2.gz RUEWKXMYRYWKQC-GOSISDBHSA-N 1 2 458.611 1.812 20 0 JDADLO CCOc1ccnc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOC[C@H]3C)CC2)n1 ZINC001502928226 1070889870 /nfs/dbraw/zinc/88/98/70/1070889870.db2.gz RUEWKXMYRYWKQC-GOSISDBHSA-N 1 2 458.611 1.812 20 0 JDADLO COc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001504213629 1070888210 /nfs/dbraw/zinc/88/82/10/1070888210.db2.gz VVNJUOVDDBMCEQ-UEXGIBASSA-N 1 2 492.646 1.959 20 0 JDADLO COc1ccc(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001504221063 1070891224 /nfs/dbraw/zinc/89/12/24/1070891224.db2.gz WICGUQPCKKRMBW-GHTZIAJQSA-N 1 2 456.591 1.885 20 0 JDADLO COc1ccc(CCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2NC(=O)CC2(C)C)cc1 ZINC001504222387 1070891578 /nfs/dbraw/zinc/89/15/78/1070891578.db2.gz JYVLKCASFUZTHU-OAQYLSRUSA-N 1 2 470.618 1.755 20 0 JDADLO CCOC1CC(Cn2c([C@H]3CCOC3)nnc2N(C)CC(=O)NC(C)(C)C)([NH+]2CCOCC2)C1 ZINC001502937835 1070893937 /nfs/dbraw/zinc/89/39/37/1070893937.db2.gz GDRSYIQZJHTJCQ-BHWOZTKKSA-N 1 2 478.638 1.403 20 0 JDADLO CCOC1CC(Cn2c(C(C)C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)([NH+]2CCOCC2)C1 ZINC001502938278 1070894720 /nfs/dbraw/zinc/89/47/20/1070894720.db2.gz LAXKIEZFOZKUSD-UHFFFAOYSA-N 1 2 498.694 1.532 20 0 JDADLO CCOC1CC(Cn2c([C@@H](C)CC)nnc2N2CCN(C(=O)OC)CC2)([NH+]2CCOCC2)C1 ZINC001502939273 1070895343 /nfs/dbraw/zinc/89/53/43/1070895343.db2.gz XDKNAWXZOUFREA-HGCBZUSOSA-N 1 2 464.611 1.950 20 0 JDADLO CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)C1 ZINC001502958053 1070899718 /nfs/dbraw/zinc/89/97/18/1070899718.db2.gz UAMGAIURPYDDEI-UHFFFAOYSA-N 1 2 457.579 1.370 20 0 JDADLO CCO[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502974720 1070926566 /nfs/dbraw/zinc/92/65/66/1070926566.db2.gz ATOXTBJQBMZSCU-WBVHZDCISA-N 1 2 451.597 1.403 20 0 JDADLO CCO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502974715 1070926760 /nfs/dbraw/zinc/92/67/60/1070926760.db2.gz ATOXTBJQBMZSCU-NVXWUHKLSA-N 1 2 451.597 1.403 20 0 JDADLO CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001502984686 1070938260 /nfs/dbraw/zinc/93/82/60/1070938260.db2.gz XZWOVBDBUCMTQC-INIZCTEOSA-N 1 2 480.639 1.376 20 0 JDADLO CCOCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001502986505 1070940441 /nfs/dbraw/zinc/94/04/41/1070940441.db2.gz DFIGRDVCPYFZEC-UHFFFAOYSA-N 1 2 458.611 1.486 20 0 JDADLO CCOCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001502989137 1070942694 /nfs/dbraw/zinc/94/26/94/1070942694.db2.gz MSNYCECELIAAIE-SFTDATJTSA-N 1 2 491.681 1.523 20 0 JDADLO CCOCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001502990038 1070943329 /nfs/dbraw/zinc/94/33/29/1070943329.db2.gz WXYMFDFSFXHIQT-QGZVFWFLSA-N 1 2 458.611 1.530 20 0 JDADLO CCOCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001502992606 1070948542 /nfs/dbraw/zinc/94/85/42/1070948542.db2.gz STQLMCGNRIONBL-UXHICEINSA-N 1 2 462.639 1.978 20 0 JDADLO CCOCc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001503027581 1070975431 /nfs/dbraw/zinc/97/54/31/1070975431.db2.gz XJOUNGONEUNHKQ-FQEVSTJZSA-N 1 2 455.607 1.299 20 0 JDADLO COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)cc1Cl ZINC001504264712 1070977900 /nfs/dbraw/zinc/97/79/00/1070977900.db2.gz WDIZOMVHCXWUDM-OAHLLOKOSA-N 1 2 487.026 1.367 20 0 JDADLO CCOCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001503037225 1071000048 /nfs/dbraw/zinc/00/00/48/1071000048.db2.gz SLRSVUIUHYBBMU-WIYYLYMNSA-N 1 2 471.606 1.788 20 0 JDADLO CCOCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001503037222 1071000123 /nfs/dbraw/zinc/00/01/23/1071000123.db2.gz SLRSVUIUHYBBMU-GHTZIAJQSA-N 1 2 471.606 1.788 20 0 JDADLO COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CC(C)C)CC2)c(OC)n1 ZINC001504275877 1071002253 /nfs/dbraw/zinc/00/22/53/1071002253.db2.gz PGPVHOVFSOAYNY-SFHVURJKSA-N 1 2 478.619 1.419 20 0 JDADLO CCOCc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503048563 1071008007 /nfs/dbraw/zinc/00/80/07/1071008007.db2.gz KDEDTIVNNIUSDI-GFJLWIRXSA-N 1 2 451.612 1.946 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CCS(=O)(=O)N(C)C)CC2)cc1F ZINC001504285009 1071010460 /nfs/dbraw/zinc/01/04/60/1071010460.db2.gz UMOZOCIBLKSSQY-HXUWFJFHSA-N 1 2 496.609 1.491 20 0 JDADLO CCOCc1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001503055355 1071010728 /nfs/dbraw/zinc/01/07/28/1071010728.db2.gz AQSKJOPNIPHWDG-QFIPXVFZSA-N 1 2 466.652 1.504 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCC(=O)N(C)C)CC2)cc1F ZINC001504285127 1071011270 /nfs/dbraw/zinc/01/12/70/1071011270.db2.gz AUDNUMKRHDHHKN-LJQANCHMSA-N 1 2 487.580 1.568 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CCn3cncn3)CC2)cc1F ZINC001504285510 1071011748 /nfs/dbraw/zinc/01/17/48/1071011748.db2.gz HGGJSTCTCOHVHO-UHFFFAOYSA-N 1 2 471.541 1.178 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4ccc(C)o4)n3CCNS(C)(=O)=O)CC2)cc1F ZINC001504285798 1071012204 /nfs/dbraw/zinc/01/22/04/1071012204.db2.gz LEQRNIWZWNRCTF-UHFFFAOYSA-N 1 2 492.577 1.866 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(C)CN(C)C3=O)CC2)cc1F ZINC001504286549 1071012787 /nfs/dbraw/zinc/01/27/87/1071012787.db2.gz QGGCUDZKQDNNJO-DEOSSOPVSA-N 1 2 487.580 1.365 20 0 JDADLO CCOCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1Cc1c[nH+]ccc1OC ZINC001503059120 1071014671 /nfs/dbraw/zinc/01/46/71/1071014671.db2.gz QEQFPZWUMCUCMP-UHFFFAOYSA-N 1 2 452.581 1.517 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(C)=O)CC1 ZINC001504292245 1071018481 /nfs/dbraw/zinc/01/84/81/1071018481.db2.gz HDRPDQBTOSIOBR-UHFFFAOYSA-N 1 2 470.553 1.675 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)COC)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001503063254 1071019238 /nfs/dbraw/zinc/01/92/38/1071019238.db2.gz HKSQYESXBURESC-UHFFFAOYSA-N 1 2 457.579 1.590 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503081241 1071030334 /nfs/dbraw/zinc/03/03/34/1071030334.db2.gz VMKWNKRCCZLVGE-MVBMGLOESA-N 1 2 465.595 1.474 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503081237 1071030422 /nfs/dbraw/zinc/03/04/22/1071030422.db2.gz VMKWNKRCCZLVGE-HGCBZUSOSA-N 1 2 465.595 1.474 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503074757 1071027240 /nfs/dbraw/zinc/02/72/40/1071027240.db2.gz AAGXTCTYGZUMEK-LEWJYISDSA-N 1 2 456.591 1.678 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503074757 1071027245 /nfs/dbraw/zinc/02/72/45/1071027245.db2.gz AAGXTCTYGZUMEK-LEWJYISDSA-N 1 2 456.591 1.678 20 0 JDADLO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001504305633 1071033860 /nfs/dbraw/zinc/03/38/60/1071033860.db2.gz JCPQOKKBZMKSHT-ROUUACIJSA-N 1 2 458.563 1.253 20 0 JDADLO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001504305633 1071033868 /nfs/dbraw/zinc/03/38/68/1071033868.db2.gz JCPQOKKBZMKSHT-ROUUACIJSA-N 1 2 458.563 1.253 20 0 JDADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503096276 1071039315 /nfs/dbraw/zinc/03/93/15/1071039315.db2.gz PIHDGDMTDDZCBE-OAQYLSRUSA-N 1 2 492.646 1.187 20 0 JDADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503096276 1071039330 /nfs/dbraw/zinc/03/93/30/1071039330.db2.gz PIHDGDMTDDZCBE-OAQYLSRUSA-N 1 2 492.646 1.187 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503100435 1071050333 /nfs/dbraw/zinc/05/03/33/1071050333.db2.gz DMZRSRMHKPHIIU-MSOLQXFVSA-N 1 2 452.600 1.981 20 0 JDADLO CCOCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001503104728 1071056078 /nfs/dbraw/zinc/05/60/78/1071056078.db2.gz BZGOBGKUAWWAHQ-UHFFFAOYSA-N 1 2 491.643 1.885 20 0 JDADLO COc1cccc([C@H](Cn2c([C@H]3CCCO3)nnc2N(C)CCS(C)(=O)=O)[NH+](C)C)c1 ZINC001504324105 1071058479 /nfs/dbraw/zinc/05/84/79/1071058479.db2.gz AVDFHKOGAIXURL-RBUKOAKNSA-N 1 2 451.593 1.922 20 0 JDADLO COc1cccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)[NH+](C)C)c1 ZINC001504324130 1071058490 /nfs/dbraw/zinc/05/84/90/1071058490.db2.gz BFXDJOYHZSGKEW-HBFSDRIKSA-N 1 2 463.604 1.717 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1c(C)nn(C)c1C ZINC001503107407 1071059467 /nfs/dbraw/zinc/05/94/67/1071059467.db2.gz OBRXAQAWIDAREH-IBGZPJMESA-N 1 2 458.611 1.346 20 0 JDADLO CCOCc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503103685 1071054671 /nfs/dbraw/zinc/05/46/71/1071054671.db2.gz MBUSZSGTJIAPOS-LJQANCHMSA-N 1 2 473.597 1.833 20 0 JDADLO CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503104620 1071055785 /nfs/dbraw/zinc/05/57/85/1071055785.db2.gz SPDZQZDCUJRWRF-UHFFFAOYSA-N 1 2 484.649 1.266 20 0 JDADLO CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503104620 1071055801 /nfs/dbraw/zinc/05/58/01/1071055801.db2.gz SPDZQZDCUJRWRF-UHFFFAOYSA-N 1 2 484.649 1.266 20 0 JDADLO CCOCc1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503109296 1071063151 /nfs/dbraw/zinc/06/31/51/1071063151.db2.gz KBUUPNPODUOXCI-FQEVSTJZSA-N 1 2 461.655 1.822 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1c(C)nn(C)c1C ZINC001503107412 1071059673 /nfs/dbraw/zinc/05/96/73/1071059673.db2.gz OBRXAQAWIDAREH-LJQANCHMSA-N 1 2 458.611 1.346 20 0 JDADLO COc1cccc([C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCn2cccn2)[NH+](C)C)c1 ZINC001504326154 1071060545 /nfs/dbraw/zinc/06/05/45/1071060545.db2.gz UMNHLZXGEUWSAQ-PZJWPPBQSA-N 1 2 487.630 1.825 20 0 JDADLO COc1cccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)c1 ZINC001504326350 1071061534 /nfs/dbraw/zinc/06/15/34/1071061534.db2.gz WRPVSXQHCFHQEC-SXLOBPIMSA-N 1 2 463.604 1.717 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CC(C)(OC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546288670 1071067746 /nfs/dbraw/zinc/06/77/46/1071067746.db2.gz RSDSCZCLQLIJQT-UHFFFAOYSA-N 1 2 456.591 1.809 20 0 JDADLO CCOCc1nnc(N2CCN(Cc3c(CC)nn(C)c3Cl)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503113977 1071074680 /nfs/dbraw/zinc/07/46/80/1071074680.db2.gz QNGHUYGWFNYQQD-SFHVURJKSA-N 1 2 495.072 1.807 20 0 JDADLO COc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001504344797 1071075075 /nfs/dbraw/zinc/07/50/75/1071075075.db2.gz RHJHHUQDJRLDMT-FQEVSTJZSA-N 1 2 463.604 1.545 20 0 JDADLO COc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001504344797 1071075091 /nfs/dbraw/zinc/07/50/91/1071075091.db2.gz RHJHHUQDJRLDMT-FQEVSTJZSA-N 1 2 463.604 1.545 20 0 JDADLO CCOCc1nnc(N2CCN(Cc3csc(C)n3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503113469 1071072928 /nfs/dbraw/zinc/07/29/28/1071072928.db2.gz PCLAUCXEBLRRDD-UHFFFAOYSA-N 1 2 476.695 1.928 20 0 JDADLO CCOCc1nnc(N2CCN(Cc3csc(C)n3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503113469 1071072946 /nfs/dbraw/zinc/07/29/46/1071072946.db2.gz PCLAUCXEBLRRDD-UHFFFAOYSA-N 1 2 476.695 1.928 20 0 JDADLO COc1cccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2c[nH+]ccc2OC)c1 ZINC001504343584 1071073719 /nfs/dbraw/zinc/07/37/19/1071073719.db2.gz UVZNCAHKIRNHNJ-UHFFFAOYSA-N 1 2 465.558 1.616 20 0 JDADLO COc1cccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CC(=O)NCC(F)F)c1 ZINC001504341391 1071069864 /nfs/dbraw/zinc/06/98/64/1071069864.db2.gz MGKBHTMEYMMUMC-HNNXBMFYSA-N 1 2 491.543 1.124 20 0 JDADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@]1(C)CCCO1 ZINC001503115196 1071075909 /nfs/dbraw/zinc/07/59/09/1071075909.db2.gz KKFOPSAVYXMFSB-REWPJTCUSA-N 1 2 450.628 1.615 20 0 JDADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001503115025 1071076236 /nfs/dbraw/zinc/07/62/36/1071076236.db2.gz DZMLNFKMPHCMLC-SFHVURJKSA-N 1 2 455.625 1.331 20 0 JDADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@]1(C)CCCO1 ZINC001503115193 1071076555 /nfs/dbraw/zinc/07/65/55/1071076555.db2.gz KKFOPSAVYXMFSB-NFBKMPQASA-N 1 2 450.628 1.615 20 0 JDADLO COc1cccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001504348467 1071079134 /nfs/dbraw/zinc/07/91/34/1071079134.db2.gz GPMZPUHOGYAHHJ-LQWHRVPQSA-N 1 2 492.646 1.959 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001503118433 1071084285 /nfs/dbraw/zinc/08/42/85/1071084285.db2.gz NYWWICISENRKSM-IBGZPJMESA-N 1 2 457.579 1.590 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503124118 1071090015 /nfs/dbraw/zinc/09/00/15/1071090015.db2.gz LDVDEWZMLZDLJQ-ZWKOTPCHSA-N 1 2 468.599 1.265 20 0 JDADLO CCOCc1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001503132152 1071093539 /nfs/dbraw/zinc/09/35/39/1071093539.db2.gz JPXRZNISGLDBGQ-RTBURBONSA-N 1 2 458.563 1.608 20 0 JDADLO CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503132255 1071093574 /nfs/dbraw/zinc/09/35/74/1071093574.db2.gz UQCPHQCHJBZOEX-SFHVURJKSA-N 1 2 465.599 1.082 20 0 JDADLO CCOC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001503147800 1071102352 /nfs/dbraw/zinc/10/23/52/1071102352.db2.gz GDUOHNGHDAZPHB-SFHVURJKSA-N 1 2 457.579 1.899 20 0 JDADLO CCOC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001503147800 1071102358 /nfs/dbraw/zinc/10/23/58/1071102358.db2.gz GDUOHNGHDAZPHB-SFHVURJKSA-N 1 2 457.579 1.899 20 0 JDADLO COc1ccccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCSCC1 ZINC001504373067 1071107986 /nfs/dbraw/zinc/10/79/86/1071107986.db2.gz BTGAMXMBTWICLY-INIZCTEOSA-N 1 2 451.618 1.626 20 0 JDADLO COc1ccccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCSCC1 ZINC001504373068 1071108030 /nfs/dbraw/zinc/10/80/30/1071108030.db2.gz BTGAMXMBTWICLY-MRXNPFEDSA-N 1 2 451.618 1.626 20 0 JDADLO COc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)n1CCNC(=O)C(C)C ZINC001504384819 1071117625 /nfs/dbraw/zinc/11/76/25/1071117625.db2.gz DLOICHPCVIVZCK-SFHVURJKSA-N 1 2 483.617 1.515 20 0 JDADLO CCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503173549 1071119478 /nfs/dbraw/zinc/11/94/78/1071119478.db2.gz KPQRNOMWMREPFL-OALUTQOASA-N 1 2 461.611 1.179 20 0 JDADLO COc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CCN(C(C)=O)CC1 ZINC001504397865 1071133324 /nfs/dbraw/zinc/13/33/24/1071133324.db2.gz CVFBXTPEHLGBCK-UHFFFAOYSA-N 1 2 470.618 1.904 20 0 JDADLO COc1ccccc1[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504393961 1071129592 /nfs/dbraw/zinc/12/95/92/1071129592.db2.gz PUBPZGHGYUICGE-BJLQDIEVSA-N 1 2 492.646 1.959 20 0 JDADLO COc1ccccc1[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504393961 1071129599 /nfs/dbraw/zinc/12/95/99/1071129599.db2.gz PUBPZGHGYUICGE-BJLQDIEVSA-N 1 2 492.646 1.959 20 0 JDADLO COc1ccccc1[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504393963 1071129784 /nfs/dbraw/zinc/12/97/84/1071129784.db2.gz PUBPZGHGYUICGE-HBFSDRIKSA-N 1 2 492.646 1.959 20 0 JDADLO COc1ccccc1[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@H]1C ZINC001504393963 1071129791 /nfs/dbraw/zinc/12/97/91/1071129791.db2.gz PUBPZGHGYUICGE-HBFSDRIKSA-N 1 2 492.646 1.959 20 0 JDADLO COc1ccccc1Cc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504404367 1071138834 /nfs/dbraw/zinc/13/88/34/1071138834.db2.gz ZPEOYGDNRVOAMN-WMZHIEFXSA-N 1 2 470.618 1.903 20 0 JDADLO COc1ccccc1Cc1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504404368 1071138931 /nfs/dbraw/zinc/13/89/31/1071138931.db2.gz ZPEOYGDNRVOAMN-XXBNENTESA-N 1 2 470.618 1.903 20 0 JDADLO COc1ccccc1Cc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504404366 1071139046 /nfs/dbraw/zinc/13/90/46/1071139046.db2.gz ZPEOYGDNRVOAMN-CVDCTZTESA-N 1 2 470.618 1.903 20 0 JDADLO CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001503204950 1071150423 /nfs/dbraw/zinc/15/04/23/1071150423.db2.gz YSTCEQLSZFHSGI-UHFFFAOYSA-N 1 2 458.563 1.701 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504409486 1071152792 /nfs/dbraw/zinc/15/27/92/1071152792.db2.gz MXRITRLTKVEZEO-RXVVDRJESA-N 1 2 456.591 1.703 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504409486 1071152807 /nfs/dbraw/zinc/15/28/07/1071152807.db2.gz MXRITRLTKVEZEO-RXVVDRJESA-N 1 2 456.591 1.703 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1CC ZINC001503218858 1071170234 /nfs/dbraw/zinc/17/02/34/1071170234.db2.gz IQSDQIKOIPMTBC-SFHVURJKSA-N 1 2 465.624 1.193 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1CC ZINC001503218858 1071170248 /nfs/dbraw/zinc/17/02/48/1071170248.db2.gz IQSDQIKOIPMTBC-SFHVURJKSA-N 1 2 465.624 1.193 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503219599 1071173254 /nfs/dbraw/zinc/17/32/54/1071173254.db2.gz FDUPKAJEXZOKBS-XXBNENTESA-N 1 2 492.646 1.135 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503219599 1071173268 /nfs/dbraw/zinc/17/32/68/1071173268.db2.gz FDUPKAJEXZOKBS-XXBNENTESA-N 1 2 492.646 1.135 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)C[C@H]1CC ZINC001503222036 1071179678 /nfs/dbraw/zinc/17/96/78/1071179678.db2.gz FHUZHZFXOFVHFI-AQNXPRMDSA-N 1 2 469.652 1.686 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)C[C@H]1CC ZINC001503222036 1071179691 /nfs/dbraw/zinc/17/96/91/1071179691.db2.gz FHUZHZFXOFVHFI-AQNXPRMDSA-N 1 2 469.652 1.686 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C[C@@H]1CC ZINC001503221599 1071177758 /nfs/dbraw/zinc/17/77/58/1071177758.db2.gz CITNOZZTNCFRDT-OALUTQOASA-N 1 2 496.678 1.163 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C[C@@H]1CC ZINC001503221599 1071177763 /nfs/dbraw/zinc/17/77/63/1071177763.db2.gz CITNOZZTNCFRDT-OALUTQOASA-N 1 2 496.678 1.163 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CC ZINC001503222470 1071182319 /nfs/dbraw/zinc/18/23/19/1071182319.db2.gz GWBQIBQQHGLIFR-WOJBJXKFSA-N 1 2 496.678 1.162 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CC ZINC001503222470 1071182341 /nfs/dbraw/zinc/18/23/41/1071182341.db2.gz GWBQIBQQHGLIFR-WOJBJXKFSA-N 1 2 496.678 1.162 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CC ZINC001503222466 1071182588 /nfs/dbraw/zinc/18/25/88/1071182588.db2.gz GWBQIBQQHGLIFR-VQTJNVASSA-N 1 2 496.678 1.162 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CC ZINC001503222466 1071182596 /nfs/dbraw/zinc/18/25/96/1071182596.db2.gz GWBQIBQQHGLIFR-VQTJNVASSA-N 1 2 496.678 1.162 20 0 JDADLO CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001503222662 1071182609 /nfs/dbraw/zinc/18/26/09/1071182609.db2.gz HUMQCJDTEBNDQF-RTBURBONSA-N 1 2 496.703 1.703 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C[C@@H]1CC ZINC001503222674 1071183848 /nfs/dbraw/zinc/18/38/48/1071183848.db2.gz IEKBIPLRDMTYPO-XLIONFOSSA-N 1 2 480.610 1.700 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C[C@@H]1CC ZINC001503222674 1071183854 /nfs/dbraw/zinc/18/38/54/1071183854.db2.gz IEKBIPLRDMTYPO-XLIONFOSSA-N 1 2 480.610 1.700 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H](C)C2)C[C@@H]1CC ZINC001503223457 1071187361 /nfs/dbraw/zinc/18/73/61/1071187361.db2.gz NFBQNZFCTXYDEG-NCYKPQTJSA-N 1 2 483.679 1.932 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H](C)C2)C[C@@H]1CC ZINC001503223457 1071187383 /nfs/dbraw/zinc/18/73/83/1071187383.db2.gz NFBQNZFCTXYDEG-NCYKPQTJSA-N 1 2 483.679 1.932 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@@H]1CC ZINC001503223453 1071187614 /nfs/dbraw/zinc/18/76/14/1071187614.db2.gz NFBQNZFCTXYDEG-BQJUDKOJSA-N 1 2 483.679 1.932 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@@H]1CC ZINC001503223453 1071187624 /nfs/dbraw/zinc/18/76/24/1071187624.db2.gz NFBQNZFCTXYDEG-BQJUDKOJSA-N 1 2 483.679 1.932 20 0 JDADLO CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)CC1 ZINC001503234395 1071213767 /nfs/dbraw/zinc/21/37/67/1071213767.db2.gz PQPSVASXIHHOAH-KRWDZBQOSA-N 1 2 496.659 1.481 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504440679 1071211226 /nfs/dbraw/zinc/21/12/26/1071211226.db2.gz UCOXYPPFTXYMJT-MOPGFXCFSA-N 1 2 472.590 1.678 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504440679 1071211237 /nfs/dbraw/zinc/21/12/37/1071211237.db2.gz UCOXYPPFTXYMJT-MOPGFXCFSA-N 1 2 472.590 1.678 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCO[C@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504443596 1071215029 /nfs/dbraw/zinc/21/50/29/1071215029.db2.gz YIWUDIDJXIAAOB-GOSISDBHSA-N 1 2 458.563 1.255 20 0 JDADLO COc1ccccc1SCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001504445398 1071216874 /nfs/dbraw/zinc/21/68/74/1071216874.db2.gz PNIKEAAUCRMZQD-MSOLQXFVSA-N 1 2 474.631 1.967 20 0 JDADLO CCS(=O)(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001503236505 1071222115 /nfs/dbraw/zinc/22/21/15/1071222115.db2.gz PVZKANYLLXKINW-RXVVDRJESA-N 1 2 492.646 1.915 20 0 JDADLO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1CCCS(C)(=O)=O ZINC001504451834 1071222137 /nfs/dbraw/zinc/22/21/37/1071222137.db2.gz BEOITKJOPSNQIN-UHFFFAOYSA-N 1 2 451.593 1.831 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001504454139 1071225118 /nfs/dbraw/zinc/22/51/18/1071225118.db2.gz PHMHPSUDKJAYGM-UHFFFAOYSA-N 1 2 479.541 1.536 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001504453762 1071224307 /nfs/dbraw/zinc/22/43/07/1071224307.db2.gz LYERNFGZMMSNCJ-UHFFFAOYSA-N 1 2 467.505 1.861 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001504454375 1071226115 /nfs/dbraw/zinc/22/61/15/1071226115.db2.gz QQQIHISHJCCIFZ-DEYYWGMASA-N 1 2 450.565 1.344 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001504454908 1071227921 /nfs/dbraw/zinc/22/79/21/1071227921.db2.gz VOZYZKGUUWEOQD-ZDUSSCGKSA-N 1 2 469.468 1.373 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001504454845 1071228053 /nfs/dbraw/zinc/22/80/53/1071228053.db2.gz UOBXFNNXHHNIMG-DLBZAZTESA-N 1 2 494.618 1.362 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001504454851 1071228127 /nfs/dbraw/zinc/22/81/27/1071228127.db2.gz UOBXFNNXHHNIMG-SJORKVTESA-N 1 2 494.618 1.362 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001504454846 1071228174 /nfs/dbraw/zinc/22/81/74/1071228174.db2.gz UOBXFNNXHHNIMG-IAGOWNOFSA-N 1 2 494.618 1.362 20 0 JDADLO COc1cc[nH+]cc1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001504456892 1071232058 /nfs/dbraw/zinc/23/20/58/1071232058.db2.gz YKKDEGGZOLMSBQ-UHFFFAOYSA-N 1 2 479.585 1.828 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O ZINC001504456530 1071232304 /nfs/dbraw/zinc/23/23/04/1071232304.db2.gz VIGIPQNGQVGJNM-UHFFFAOYSA-N 1 2 469.571 1.839 20 0 JDADLO COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001504457059 1071233294 /nfs/dbraw/zinc/23/32/94/1071233294.db2.gz NBPQBSGEGOGXNH-OAHLLOKOSA-N 1 2 486.602 1.364 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503242182 1071233604 /nfs/dbraw/zinc/23/36/04/1071233604.db2.gz WQSNDWNJLROTOK-FUHWJXTLSA-N 1 2 450.609 1.941 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001504457189 1071234089 /nfs/dbraw/zinc/23/40/89/1071234089.db2.gz ITJBPAAMNQUXOE-UHFFFAOYSA-N 1 2 471.587 1.961 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C ZINC001504458479 1071235139 /nfs/dbraw/zinc/23/51/39/1071235139.db2.gz CBXDMGXLZNHLQP-QGZVFWFLSA-N 1 2 452.581 1.545 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001504458677 1071235167 /nfs/dbraw/zinc/23/51/67/1071235167.db2.gz WXRYHWMNHSVXBA-GOSISDBHSA-N 1 2 470.555 1.721 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 ZINC001504459108 1071236256 /nfs/dbraw/zinc/23/62/56/1071236256.db2.gz KHEGQJVNKIXJHX-MJGOQNOKSA-N 1 2 496.659 1.785 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 ZINC001504459109 1071236600 /nfs/dbraw/zinc/23/66/00/1071236600.db2.gz KHEGQJVNKIXJHX-PKOBYXMFSA-N 1 2 496.659 1.785 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 ZINC001504459603 1071237077 /nfs/dbraw/zinc/23/70/77/1071237077.db2.gz QKLNKNWMHYUNMR-UHFFFAOYSA-N 1 2 454.506 1.755 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001504459183 1071237359 /nfs/dbraw/zinc/23/73/59/1071237359.db2.gz MBGPCWVMADMOOO-YJBOKZPZSA-N 1 2 480.591 1.067 20 0 JDADLO CO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC001504478984 1071255057 /nfs/dbraw/zinc/25/50/57/1071255057.db2.gz OCKDZXPDRWDYJR-IXDOHACOSA-N 1 2 451.597 1.586 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001503248956 1071257866 /nfs/dbraw/zinc/25/78/66/1071257866.db2.gz FKTQHNLQTHJVLJ-IRXDYDNUSA-N 1 2 453.613 1.049 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2cnccn2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001503249380 1071259323 /nfs/dbraw/zinc/25/93/23/1071259323.db2.gz QIRSRWGKOLGSGR-HXUWFJFHSA-N 1 2 498.657 1.817 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001503252292 1071271429 /nfs/dbraw/zinc/27/14/29/1071271429.db2.gz WEGURPHXSADHPG-UHFFFAOYSA-N 1 2 489.646 1.705 20 0 JDADLO CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001503257265 1071294155 /nfs/dbraw/zinc/29/41/55/1071294155.db2.gz QHBYEBCXUGITGR-SFHVURJKSA-N 1 2 455.588 1.881 20 0 JDADLO CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001503257265 1071294171 /nfs/dbraw/zinc/29/41/71/1071294171.db2.gz QHBYEBCXUGITGR-SFHVURJKSA-N 1 2 455.588 1.881 20 0 JDADLO CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504519655 1071295461 /nfs/dbraw/zinc/29/54/61/1071295461.db2.gz WUJUPTKPZDLZJH-IFMALSPDSA-N 1 2 486.617 1.967 20 0 JDADLO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC[C@H]1C ZINC001504520123 1071296715 /nfs/dbraw/zinc/29/67/15/1071296715.db2.gz KNLMNWNPKOAUPI-DYESRHJHSA-N 1 2 458.611 1.165 20 0 JDADLO COc1ncc(/C=C/C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)cn1 ZINC001546289550 1071307816 /nfs/dbraw/zinc/30/78/16/1071307816.db2.gz MOANCJNJFQGJHY-VMPITWQZSA-N 1 2 453.543 1.400 20 0 JDADLO COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001504527607 1071309378 /nfs/dbraw/zinc/30/93/78/1071309378.db2.gz FMXDFOIZYHDIAL-UHFFFAOYSA-N 1 2 498.632 1.535 20 0 JDADLO CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503261248 1071312299 /nfs/dbraw/zinc/31/22/99/1071312299.db2.gz RGOMDPRZXOZKJT-AZUAARDMSA-N 1 2 468.668 1.290 20 0 JDADLO CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503261248 1071312316 /nfs/dbraw/zinc/31/23/16/1071312316.db2.gz RGOMDPRZXOZKJT-AZUAARDMSA-N 1 2 468.668 1.290 20 0 JDADLO CO[C@@H]1COCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504529338 1071313455 /nfs/dbraw/zinc/31/34/55/1071313455.db2.gz ISJZFVOEXNWZSK-RBBKRZOGSA-N 1 2 459.591 1.985 20 0 JDADLO CCS(=O)(=O)CCn1c(N2CC[N@@H+]3CCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001503263217 1071319052 /nfs/dbraw/zinc/31/90/52/1071319052.db2.gz ZYUBBUAEPKXMOQ-GHTZIAJQSA-N 1 2 455.625 1.428 20 0 JDADLO CCS(=O)(=O)CCn1c(N2CC[N@H+]3CCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001503263217 1071319067 /nfs/dbraw/zinc/31/90/67/1071319067.db2.gz ZYUBBUAEPKXMOQ-GHTZIAJQSA-N 1 2 455.625 1.428 20 0 JDADLO COCC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001504537067 1071343540 /nfs/dbraw/zinc/34/35/40/1071343540.db2.gz OUEKXTQBNNUMFF-FQEVSTJZSA-N 1 2 488.658 1.895 20 0 JDADLO CCS(=O)(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001503268171 1071345641 /nfs/dbraw/zinc/34/56/41/1071345641.db2.gz IUFNFBFNGJCAOG-LJQANCHMSA-N 1 2 482.695 1.982 20 0 JDADLO CCS(=O)(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001503268171 1071345660 /nfs/dbraw/zinc/34/56/60/1071345660.db2.gz IUFNFBFNGJCAOG-LJQANCHMSA-N 1 2 482.695 1.982 20 0 JDADLO COCC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001504537358 1071345765 /nfs/dbraw/zinc/34/57/65/1071345765.db2.gz SYIXITNVWOCOHT-SFHVURJKSA-N 1 2 476.553 1.012 20 0 JDADLO CCS(=O)(=O)N(C)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001503268166 1071345719 /nfs/dbraw/zinc/34/57/19/1071345719.db2.gz ITLKHSUVECPKEC-QGZVFWFLSA-N 1 2 454.641 1.202 20 0 JDADLO CCS(=O)(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001503268170 1071345806 /nfs/dbraw/zinc/34/58/06/1071345806.db2.gz IUFNFBFNGJCAOG-IBGZPJMESA-N 1 2 482.695 1.982 20 0 JDADLO CCS(=O)(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001503268170 1071345818 /nfs/dbraw/zinc/34/58/18/1071345818.db2.gz IUFNFBFNGJCAOG-IBGZPJMESA-N 1 2 482.695 1.982 20 0 JDADLO CCS(=O)(=O)NC1CCN(c2nnc(Cc3ccncc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001503272209 1071369994 /nfs/dbraw/zinc/36/99/94/1071369994.db2.gz WYHUQDGIXFLKNV-UHFFFAOYSA-N 1 2 471.587 1.624 20 0 JDADLO COCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504555991 1071379266 /nfs/dbraw/zinc/37/92/66/1071379266.db2.gz XEPIAXJVLXCBSK-FQEVSTJZSA-N 1 2 472.638 1.639 20 0 JDADLO CCS(=O)(=O)NCCCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503277022 1071391911 /nfs/dbraw/zinc/39/19/11/1071391911.db2.gz HEHRWJZWTUCANJ-IBGZPJMESA-N 1 2 497.710 1.329 20 0 JDADLO COC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001504577614 1071399185 /nfs/dbraw/zinc/39/91/85/1071399185.db2.gz GFZVCDPTLAUCNG-QGZVFWFLSA-N 1 2 452.519 1.308 20 0 JDADLO COC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504581337 1071405394 /nfs/dbraw/zinc/40/53/94/1071405394.db2.gz SKUIHERDGQZPAL-SIKLNZKXSA-N 1 2 486.617 1.748 20 0 JDADLO COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504585950 1071416998 /nfs/dbraw/zinc/41/69/98/1071416998.db2.gz VYNKCUWWJMPFGO-LEWJYISDSA-N 1 2 475.638 1.176 20 0 JDADLO CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503281663 1071428230 /nfs/dbraw/zinc/42/82/30/1071428230.db2.gz DUVVISJTXRLPKV-UHFFFAOYSA-N 1 2 492.009 1.358 20 0 JDADLO COC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504590998 1071431300 /nfs/dbraw/zinc/43/13/00/1071431300.db2.gz RTBLWYLUZCKZPM-VQTJNVASSA-N 1 2 471.606 1.443 20 0 JDADLO COC[C@@H](F)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504603915 1071455593 /nfs/dbraw/zinc/45/55/93/1071455593.db2.gz WBGGHGMDBZBTDH-LEWJYISDSA-N 1 2 461.586 1.556 20 0 JDADLO COC[C@@H](F)Cn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504607567 1071462376 /nfs/dbraw/zinc/46/23/76/1071462376.db2.gz JZUVMIHKMZKUSF-QUCCMNQESA-N 1 2 459.570 1.381 20 0 JDADLO COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504613232 1071472785 /nfs/dbraw/zinc/47/27/85/1071472785.db2.gz VBRHEDVGWSHXID-HBMCJLEFSA-N 1 2 468.618 1.388 20 0 JDADLO CC[S@](=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503293031 1071499540 /nfs/dbraw/zinc/49/95/40/1071499540.db2.gz ZSGCMAGMRBKBMO-AKZDSRSJSA-N 1 2 458.632 1.703 20 0 JDADLO CC[S@](=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503294102 1071503492 /nfs/dbraw/zinc/50/34/92/1071503492.db2.gz JQOBUJGKBNQFPW-QOLNJRCNSA-N 1 2 473.647 1.406 20 0 JDADLO COCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001504645386 1071508539 /nfs/dbraw/zinc/50/85/39/1071508539.db2.gz WJDFLTUMJUHRAG-SFHVURJKSA-N 1 2 485.614 1.805 20 0 JDADLO CC[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001503297634 1071514065 /nfs/dbraw/zinc/51/40/65/1071514065.db2.gz POYIIBSJKKEVOS-LSIVDZRHSA-N 1 2 471.693 1.650 20 0 JDADLO CC[S@](=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001503298505 1071515278 /nfs/dbraw/zinc/51/52/78/1071515278.db2.gz VTTLOQYUVGEONB-VWQKCODTSA-N 1 2 463.604 1.716 20 0 JDADLO CC[S@](=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001503298505 1071515289 /nfs/dbraw/zinc/51/52/89/1071515289.db2.gz VTTLOQYUVGEONB-VWQKCODTSA-N 1 2 463.604 1.716 20 0 JDADLO CC[S@](=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001503298502 1071515349 /nfs/dbraw/zinc/51/53/49/1071515349.db2.gz VTTLOQYUVGEONB-QYMZFMKZSA-N 1 2 463.604 1.716 20 0 JDADLO CC[S@](=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001503298502 1071515357 /nfs/dbraw/zinc/51/53/57/1071515357.db2.gz VTTLOQYUVGEONB-QYMZFMKZSA-N 1 2 463.604 1.716 20 0 JDADLO CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001503302096 1071521639 /nfs/dbraw/zinc/52/16/39/1071521639.db2.gz XNYQTEQBEZNBIE-PSTIOWGYSA-N 1 2 460.604 1.199 20 0 JDADLO CC[S@@](=O)CCn1c(-c2cccnc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001503312430 1071535356 /nfs/dbraw/zinc/53/53/56/1071535356.db2.gz KTFSDDDYMNUPJH-JGCGQSQUSA-N 1 2 459.620 1.243 20 0 JDADLO CC[S@@](=O)CCn1c(-c2cccnc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001503312430 1071535368 /nfs/dbraw/zinc/53/53/68/1071535368.db2.gz KTFSDDDYMNUPJH-JGCGQSQUSA-N 1 2 459.620 1.243 20 0 JDADLO CCS[C@@H]1CC[C@@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503317306 1071538835 /nfs/dbraw/zinc/53/88/35/1071538835.db2.gz BLQPPIJLNAVCOF-QRVBRYPASA-N 1 2 463.652 1.504 20 0 JDADLO COC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001504689394 1071545038 /nfs/dbraw/zinc/54/50/38/1071545038.db2.gz XOQJDPJNVVUFHS-MOPGFXCFSA-N 1 2 457.579 1.755 20 0 JDADLO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001504707940 1071558078 /nfs/dbraw/zinc/55/80/78/1071558078.db2.gz DDFBVOFRVNXOST-MSOLQXFVSA-N 1 2 473.578 1.276 20 0 JDADLO COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)C[C@@H](C)O1 ZINC001504710930 1071566270 /nfs/dbraw/zinc/56/62/70/1071566270.db2.gz QQRKSNISNNKLJJ-IEBWSBKVSA-N 1 2 453.547 1.890 20 0 JDADLO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC001504726718 1071595002 /nfs/dbraw/zinc/59/50/02/1071595002.db2.gz HZCWPZDCXJFJGL-KSZLIROESA-N 1 2 464.592 1.318 20 0 JDADLO COC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001504733741 1071606469 /nfs/dbraw/zinc/60/64/69/1071606469.db2.gz DPKVQMNZAJZPSB-MRXNPFEDSA-N 1 2 458.544 1.573 20 0 JDADLO COC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001504735041 1071608997 /nfs/dbraw/zinc/60/89/97/1071608997.db2.gz KIOCSHACNXWUFR-AZUAARDMSA-N 1 2 454.579 1.889 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001504735143 1071609080 /nfs/dbraw/zinc/60/90/80/1071609080.db2.gz KIOCSHACNXWUFR-QUCCMNQESA-N 1 2 454.579 1.889 20 0 JDADLO CN(C)C(=O)CN1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001503377281 1071628251 /nfs/dbraw/zinc/62/82/51/1071628251.db2.gz YEZRZHOJSKDBCD-UHFFFAOYSA-N 1 2 476.629 1.783 20 0 JDADLO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001503377002 1071625264 /nfs/dbraw/zinc/62/52/64/1071625264.db2.gz VTYKDTYDZYWSCV-NFBKMPQASA-N 1 2 498.676 1.916 20 0 JDADLO CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001503378111 1071632352 /nfs/dbraw/zinc/63/23/52/1071632352.db2.gz PGMQVCLIJOFMAR-HXUWFJFHSA-N 1 2 472.590 1.066 20 0 JDADLO COCC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001504751818 1071634431 /nfs/dbraw/zinc/63/44/31/1071634431.db2.gz OIQURVYECYOBFX-MHECFPHRSA-N 1 2 456.591 1.522 20 0 JDADLO C[NH+](C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 ZINC001503379912 1071635677 /nfs/dbraw/zinc/63/56/77/1071635677.db2.gz NTTZSNGETNENEP-FQEVSTJZSA-N 1 2 495.671 1.702 20 0 JDADLO C[NH+](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC001503383666 1071639104 /nfs/dbraw/zinc/63/91/04/1071639104.db2.gz VGRMZQKUOXHYCX-FQEVSTJZSA-N 1 2 492.621 1.856 20 0 JDADLO Cn1cc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cn1 ZINC001503384197 1071641320 /nfs/dbraw/zinc/64/13/20/1071641320.db2.gz YBEFSWMZHFUZAI-GOSISDBHSA-N 1 2 458.517 1.961 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccsc1 ZINC001503388281 1071646619 /nfs/dbraw/zinc/64/66/19/1071646619.db2.gz NPXSZSYHVVMXRK-DLBZAZTESA-N 1 2 466.633 1.607 20 0 JDADLO CN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001503388939 1071647424 /nfs/dbraw/zinc/64/74/24/1071647424.db2.gz UEMDPLHJIGYNEL-BZUAXINKSA-N 1 2 452.606 1.217 20 0 JDADLO COCC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001504757728 1071647796 /nfs/dbraw/zinc/64/77/96/1071647796.db2.gz DKVHRSTUMMIABJ-XMMPIXPASA-N 1 2 468.606 1.951 20 0 JDADLO CN(C)c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS(=O)CC2)c[nH+]1 ZINC001503390648 1071650290 /nfs/dbraw/zinc/65/02/90/1071650290.db2.gz UHRISVGXDYVLEE-UHFFFAOYSA-N 1 2 474.612 1.427 20 0 JDADLO COCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504799622 1071678393 /nfs/dbraw/zinc/67/83/93/1071678393.db2.gz CSLUAHHOOLXTPQ-IBGZPJMESA-N 1 2 482.626 1.782 20 0 JDADLO CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001503406391 1071680000 /nfs/dbraw/zinc/68/00/00/1071680000.db2.gz IQFNMMZGZMHMRP-UHFFFAOYSA-N 1 2 491.021 1.602 20 0 JDADLO COCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001504812986 1071685391 /nfs/dbraw/zinc/68/53/91/1071685391.db2.gz JPVJNOPKWOHHMV-PKOBYXMFSA-N 1 2 478.619 1.321 20 0 JDADLO COCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001504812985 1071685421 /nfs/dbraw/zinc/68/54/21/1071685421.db2.gz JPVJNOPKWOHHMV-MJGOQNOKSA-N 1 2 478.619 1.321 20 0 JDADLO COCCCN(c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001504815918 1071689379 /nfs/dbraw/zinc/68/93/79/1071689379.db2.gz DPFXYTVWVYLHFW-WOJBJXKFSA-N 1 2 467.636 1.464 20 0 JDADLO COCCCN(c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001504815918 1071689388 /nfs/dbraw/zinc/68/93/88/1071689388.db2.gz DPFXYTVWVYLHFW-WOJBJXKFSA-N 1 2 467.636 1.464 20 0 JDADLO COCCCN(c1nnc(C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001504818467 1071700447 /nfs/dbraw/zinc/70/04/47/1071700447.db2.gz NDRIRPINCLXBSO-JENIJYKNSA-N 1 2 457.641 1.504 20 0 JDADLO COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504830431 1071713998 /nfs/dbraw/zinc/71/39/98/1071713998.db2.gz DLIAYXZYMQTZAN-UFYCRDLUSA-N 1 2 464.611 1.172 20 0 JDADLO COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504830428 1071714022 /nfs/dbraw/zinc/71/40/22/1071714022.db2.gz DLIAYXZYMQTZAN-AABGKKOBSA-N 1 2 464.611 1.172 20 0 JDADLO COCCCn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504834747 1071731263 /nfs/dbraw/zinc/73/12/63/1071731263.db2.gz WTQZSJIUWPWOPV-GBXCKJPGSA-N 1 2 478.638 1.488 20 0 JDADLO CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503437283 1071741166 /nfs/dbraw/zinc/74/11/66/1071741166.db2.gz SDBSTFDIZDZWKA-OAQYLSRUSA-N 1 2 470.618 1.772 20 0 JDADLO CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503437283 1071741176 /nfs/dbraw/zinc/74/11/76/1071741176.db2.gz SDBSTFDIZDZWKA-OAQYLSRUSA-N 1 2 470.618 1.772 20 0 JDADLO COCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001504846593 1071742348 /nfs/dbraw/zinc/74/23/48/1071742348.db2.gz KIIJBHBDVAYEHF-LJQANCHMSA-N 1 2 462.620 1.942 20 0 JDADLO CN(CC(=O)N1CCOCC1)c1nnc(-c2cnccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001503438050 1071745437 /nfs/dbraw/zinc/74/54/37/1071745437.db2.gz RVTFXOVCIKQOJO-IBGZPJMESA-N 1 2 486.527 1.611 20 0 JDADLO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001503438260 1071746667 /nfs/dbraw/zinc/74/66/67/1071746667.db2.gz WJRCHUZRNLMBHH-QZTJIDSGSA-N 1 2 491.543 1.105 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503441795 1071757664 /nfs/dbraw/zinc/75/76/64/1071757664.db2.gz MTGGLBFELZIZJZ-UHFFFAOYSA-N 1 2 484.605 1.031 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001503441524 1071757253 /nfs/dbraw/zinc/75/72/53/1071757253.db2.gz LTGOFHVDSIWETO-LJQANCHMSA-N 1 2 464.574 1.873 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503443256 1071760886 /nfs/dbraw/zinc/76/08/86/1071760886.db2.gz ZAABVUPTPZFSMI-LJQANCHMSA-N 1 2 471.606 1.803 20 0 JDADLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCOC2)n1CC1([S@@](C)=O)CC1 ZINC001503448649 1071768924 /nfs/dbraw/zinc/76/89/24/1071768924.db2.gz HCTUZUWOTWAWFK-FZEVHQGJSA-N 1 2 453.653 1.878 20 0 JDADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCC(C)(C)O ZINC001503449755 1071771678 /nfs/dbraw/zinc/77/16/78/1071771678.db2.gz YGNBQDNIDTWZET-IAGOWNOFSA-N 1 2 462.620 1.961 20 0 JDADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCC(C)(C)O ZINC001503449757 1071772054 /nfs/dbraw/zinc/77/20/54/1071772054.db2.gz YGNBQDNIDTWZET-SJORKVTESA-N 1 2 462.620 1.961 20 0 JDADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(C3CCCC3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001504860376 1071793102 /nfs/dbraw/zinc/79/31/02/1071793102.db2.gz IBEHQGCQTOXGNC-CTNGQTDRSA-N 1 2 498.694 1.533 20 0 JDADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001504862233 1071801467 /nfs/dbraw/zinc/80/14/67/1071801467.db2.gz SNZKVGACKSYIPV-LJQANCHMSA-N 1 2 477.635 1.542 20 0 JDADLO COCCN(Cc1ccc(C)o1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001504875457 1071806759 /nfs/dbraw/zinc/80/67/59/1071806759.db2.gz ILUFVIDEDSYNGQ-IBGZPJMESA-N 1 2 463.604 1.997 20 0 JDADLO COCCN(Cc1ccc(C)o1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001504875457 1071806762 /nfs/dbraw/zinc/80/67/62/1071806762.db2.gz ILUFVIDEDSYNGQ-IBGZPJMESA-N 1 2 463.604 1.997 20 0 JDADLO COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001504892595 1071816456 /nfs/dbraw/zinc/81/64/56/1071816456.db2.gz TZVLPRABYHEWHC-UHFFFAOYSA-N 1 2 480.411 1.437 20 0 JDADLO COCCn1c(COc2cccc(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504895921 1071821706 /nfs/dbraw/zinc/82/17/06/1071821706.db2.gz DARLYFRWLDFVOI-HXUWFJFHSA-N 1 2 456.591 1.945 20 0 JDADLO COCCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(C)[nH+]2)CC1=O ZINC001504902667 1071838298 /nfs/dbraw/zinc/83/82/98/1071838298.db2.gz HTBAQMYVIYKTLW-UHFFFAOYSA-N 1 2 478.557 1.557 20 0 JDADLO CN(CCCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001503601276 1071878780 /nfs/dbraw/zinc/87/87/80/1071878780.db2.gz CBJORRQICLVQTI-SFHVURJKSA-N 1 2 452.625 1.402 20 0 JDADLO CN(CCCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001503601276 1071878784 /nfs/dbraw/zinc/87/87/84/1071878784.db2.gz CBJORRQICLVQTI-SFHVURJKSA-N 1 2 452.625 1.402 20 0 JDADLO CN(CCCS(C)(=O)=O)c1nnc(-c2ccc[nH]2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503604695 1071886793 /nfs/dbraw/zinc/88/67/93/1071886793.db2.gz RWWSPAUBEAPDKD-UHFFFAOYSA-N 1 2 459.576 1.424 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504920236 1071892180 /nfs/dbraw/zinc/89/21/80/1071892180.db2.gz PKBCRCHEMXHBMX-BDTNDASRSA-N 1 2 464.655 1.686 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504920236 1071892188 /nfs/dbraw/zinc/89/21/88/1071892188.db2.gz PKBCRCHEMXHBMX-BDTNDASRSA-N 1 2 464.655 1.686 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504920240 1071892309 /nfs/dbraw/zinc/89/23/09/1071892309.db2.gz PKBCRCHEMXHBMX-BHDDXSALSA-N 1 2 464.655 1.686 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504920240 1071892313 /nfs/dbraw/zinc/89/23/13/1071892313.db2.gz PKBCRCHEMXHBMX-BHDDXSALSA-N 1 2 464.655 1.686 20 0 JDADLO C[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1)Cc1ccc(F)cc1 ZINC001503610574 1071894486 /nfs/dbraw/zinc/89/44/86/1071894486.db2.gz HZXYAVQTACVWBT-OALUTQOASA-N 1 2 492.621 1.543 20 0 JDADLO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1)Cc1ccc(F)cc1 ZINC001503610574 1071894491 /nfs/dbraw/zinc/89/44/91/1071894491.db2.gz HZXYAVQTACVWBT-OALUTQOASA-N 1 2 492.621 1.543 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001503618235 1071904187 /nfs/dbraw/zinc/90/41/87/1071904187.db2.gz GFUKAFABHFGMRG-RTBURBONSA-N 1 2 491.637 1.645 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001503617720 1071903081 /nfs/dbraw/zinc/90/30/81/1071903081.db2.gz CDZJPVJUVGKMFH-LJQANCHMSA-N 1 2 470.622 1.718 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001503618949 1071907257 /nfs/dbraw/zinc/90/72/57/1071907257.db2.gz BKTJJTGESQAXIK-UHFFFAOYSA-N 1 2 473.578 1.402 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001503619010 1071907525 /nfs/dbraw/zinc/90/75/25/1071907525.db2.gz CCTOKOPSAPWPEC-PGRDOPGGSA-N 1 2 462.982 1.559 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)COCCO1 ZINC001503619110 1071908436 /nfs/dbraw/zinc/90/84/36/1071908436.db2.gz RTAJLVBQQKAANQ-HXUWFJFHSA-N 1 2 483.411 1.620 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001503620000 1071910191 /nfs/dbraw/zinc/91/01/91/1071910191.db2.gz WLZOQDUQAJAWPS-KRWDZBQOSA-N 1 2 473.544 1.272 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCOC2)n1CCC(=O)NCc1ccccc1 ZINC001503619705 1071910225 /nfs/dbraw/zinc/91/02/25/1071910225.db2.gz SDWIPAAMPVAAMT-NRFANRHFSA-N 1 2 456.591 1.647 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCc1ccco1 ZINC001503620558 1071912251 /nfs/dbraw/zinc/91/22/51/1071912251.db2.gz DNWXXYWGUIVQQM-TZIWHRDSSA-N 1 2 474.606 1.875 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)(C)C ZINC001503621327 1071915454 /nfs/dbraw/zinc/91/54/54/1071915454.db2.gz ODLXWAUYODOXGG-UHFFFAOYSA-N 1 2 477.635 1.200 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCOCC1 ZINC001503622310 1071920719 /nfs/dbraw/zinc/92/07/19/1071920719.db2.gz YHWYCCYDNHLDGW-UHFFFAOYSA-N 1 2 462.620 1.855 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001503622392 1071921237 /nfs/dbraw/zinc/92/12/37/1071921237.db2.gz YYQHOIDWUQXMEV-UHFFFAOYSA-N 1 2 491.637 1.568 20 0 JDADLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1CC[S@@](=O)C(C)(C)C ZINC001503623019 1071925063 /nfs/dbraw/zinc/92/50/63/1071925063.db2.gz QRBBOSROANITQP-WJOKGBTCSA-N 1 2 451.641 1.773 20 0 JDADLO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1CC[S@@](=O)C(C)(C)C ZINC001503623019 1071925078 /nfs/dbraw/zinc/92/50/78/1071925078.db2.gz QRBBOSROANITQP-WJOKGBTCSA-N 1 2 451.641 1.773 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(C2CCCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503623946 1071929327 /nfs/dbraw/zinc/92/93/27/1071929327.db2.gz LFLHAQZQMRHLCQ-OAQYLSRUSA-N 1 2 476.647 1.822 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(C2CCCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503623946 1071929338 /nfs/dbraw/zinc/92/93/38/1071929338.db2.gz LFLHAQZQMRHLCQ-OAQYLSRUSA-N 1 2 476.647 1.822 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001504930660 1071934987 /nfs/dbraw/zinc/93/49/87/1071934987.db2.gz JNNFHBPISZFAGV-TUNNFDKTSA-N 1 2 485.633 1.352 20 0 JDADLO CN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503633727 1071942150 /nfs/dbraw/zinc/94/21/50/1071942150.db2.gz ISLLWEXOFCTRCT-UHFFFAOYSA-N 1 2 459.576 1.044 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001504934899 1071954457 /nfs/dbraw/zinc/95/44/57/1071954457.db2.gz BYSUWXRSHRNEDN-UHFFFAOYSA-N 1 2 451.531 1.771 20 0 JDADLO CN(CCS(C)(=O)=O)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001503638190 1071955497 /nfs/dbraw/zinc/95/54/97/1071955497.db2.gz FJHYMCQJGNPZIH-UHFFFAOYSA-N 1 2 499.622 1.984 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504948071 1071991333 /nfs/dbraw/zinc/99/13/33/1071991333.db2.gz BABVMJTYUBNEOI-DCLXLUIPSA-N 1 2 481.638 1.887 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504948801 1071992116 /nfs/dbraw/zinc/99/21/16/1071992116.db2.gz DKLYFVHEADNBGG-IXFSTUDKSA-N 1 2 460.579 1.896 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504948803 1071992232 /nfs/dbraw/zinc/99/22/32/1071992232.db2.gz DKLYFVHEADNBGG-PMAPCBKXSA-N 1 2 460.579 1.896 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504949514 1071993925 /nfs/dbraw/zinc/99/39/25/1071993925.db2.gz ZVMOICLNIIFWDS-GOSISDBHSA-N 1 2 466.627 1.560 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504957765 1072002059 /nfs/dbraw/zinc/00/20/59/1072002059.db2.gz CBFQASBWKPCSEM-DENIHFKCSA-N 1 2 478.638 1.419 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[C@@H]1COCCO1 ZINC001504970912 1072022116 /nfs/dbraw/zinc/02/21/16/1072022116.db2.gz AJBLAUYYRYUVRT-IEBWSBKVSA-N 1 2 460.579 1.831 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001504969111 1072018068 /nfs/dbraw/zinc/01/80/68/1072018068.db2.gz YMIDUDUKBNALQT-FDDCHVKYSA-N 1 2 496.678 1.315 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001504969510 1072018457 /nfs/dbraw/zinc/01/84/57/1072018457.db2.gz DSCDTEPBOBALDG-SFHVURJKSA-N 1 2 464.611 1.219 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001504969510 1072018476 /nfs/dbraw/zinc/01/84/76/1072018476.db2.gz DSCDTEPBOBALDG-SFHVURJKSA-N 1 2 464.611 1.219 20 0 JDADLO CN1CC[N@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)CC1(C)C ZINC001503686401 1072019355 /nfs/dbraw/zinc/01/93/55/1072019355.db2.gz QLGKOLHDNMAKBS-UHFFFAOYSA-N 1 2 461.998 1.473 20 0 JDADLO CN1CC[N@@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)CC1(C)C ZINC001503686401 1072019370 /nfs/dbraw/zinc/01/93/70/1072019370.db2.gz QLGKOLHDNMAKBS-UHFFFAOYSA-N 1 2 461.998 1.473 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001504971624 1072023290 /nfs/dbraw/zinc/02/32/90/1072023290.db2.gz FBGMKPMDSDMGGU-ROUUACIJSA-N 1 2 453.584 1.502 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001504971624 1072023306 /nfs/dbraw/zinc/02/33/06/1072023306.db2.gz FBGMKPMDSDMGGU-ROUUACIJSA-N 1 2 453.584 1.502 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@]1(C)COCCO1 ZINC001504972706 1072024395 /nfs/dbraw/zinc/02/43/95/1072024395.db2.gz HJILOHDNFXTGRS-GAJHUEQPSA-N 1 2 460.579 1.831 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@]1(C)COCCO1 ZINC001504972716 1072024900 /nfs/dbraw/zinc/02/49/00/1072024900.db2.gz HJILOHDNFXTGRS-UZUQRXQVSA-N 1 2 460.579 1.831 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001504979625 1072029642 /nfs/dbraw/zinc/02/96/42/1072029642.db2.gz MMOUTVWLWMPQGV-RFWXGWTQSA-N 1 2 496.678 1.315 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001504979622 1072029673 /nfs/dbraw/zinc/02/96/73/1072029673.db2.gz MMOUTVWLWMPQGV-QMHWCDLVSA-N 1 2 496.678 1.315 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1Cc1c[nH+]ccc1OC ZINC001504982453 1072031862 /nfs/dbraw/zinc/03/18/62/1072031862.db2.gz ICAVGBBUSIPFQS-QGZVFWFLSA-N 1 2 458.563 1.903 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCc1cn2ccccc2[nH+]1 ZINC001504985937 1072036210 /nfs/dbraw/zinc/03/62/10/1072036210.db2.gz BORIKMCHUFDBEV-QZTJIDSGSA-N 1 2 455.563 1.950 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001504987657 1072040677 /nfs/dbraw/zinc/04/06/77/1072040677.db2.gz KRODYGUPMNCDGB-MSOLQXFVSA-N 1 2 457.641 1.890 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1Cc1c[nH+]ccc1OC ZINC001504987820 1072040831 /nfs/dbraw/zinc/04/08/31/1072040831.db2.gz CJDOLFWKUSHXJD-SFHVURJKSA-N 1 2 489.577 1.028 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C)nc1 ZINC001504988026 1072041675 /nfs/dbraw/zinc/04/16/75/1072041675.db2.gz MDJKACGINWJXMF-LEWJYISDSA-N 1 2 485.633 1.887 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C)nc1 ZINC001504988033 1072041959 /nfs/dbraw/zinc/04/19/59/1072041959.db2.gz MDJKACGINWJXMF-RTWAWAEBSA-N 1 2 485.633 1.887 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504992066 1072055515 /nfs/dbraw/zinc/05/55/15/1072055515.db2.gz XKUQDJSJOPJAHM-AZUAARDMSA-N 1 2 487.605 1.339 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504992071 1072055535 /nfs/dbraw/zinc/05/55/35/1072055535.db2.gz XKUQDJSJOPJAHM-UYAOXDASSA-N 1 2 487.605 1.339 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001504995848 1072066127 /nfs/dbraw/zinc/06/61/27/1072066127.db2.gz VYRWZSAQCHNMLC-MSOLQXFVSA-N 1 2 457.579 1.638 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCc1nnc(C)[nH]1 ZINC001504995967 1072067002 /nfs/dbraw/zinc/06/70/02/1072067002.db2.gz UEDVOCHOUFHNCK-SJORKVTESA-N 1 2 462.599 1.361 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1nnc(C)[nH]1 ZINC001504995967 1072067010 /nfs/dbraw/zinc/06/70/10/1072067010.db2.gz UEDVOCHOUFHNCK-SJORKVTESA-N 1 2 462.599 1.361 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001505005405 1072086259 /nfs/dbraw/zinc/08/62/59/1072086259.db2.gz BHZNRTSSLKGMHW-CEXWTWQISA-N 1 2 464.611 1.170 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001505005405 1072086272 /nfs/dbraw/zinc/08/62/72/1072086272.db2.gz BHZNRTSSLKGMHW-CEXWTWQISA-N 1 2 464.611 1.170 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001505007711 1072089301 /nfs/dbraw/zinc/08/93/01/1072089301.db2.gz BQRSALIBKCPIGC-YSTOQKLRSA-N 1 2 451.612 1.974 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001505010427 1072093466 /nfs/dbraw/zinc/09/34/66/1072093466.db2.gz QEDMZEPZBMWSMW-RAZUEPIFSA-N 1 2 494.637 1.826 20 0 JDADLO COCCO[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001505040818 1072137412 /nfs/dbraw/zinc/13/74/12/1072137412.db2.gz HRAJDDAXJCBUFZ-NRFANRHFSA-N 1 2 476.647 1.726 20 0 JDADLO COCCO[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001505044273 1072140671 /nfs/dbraw/zinc/14/06/71/1072140671.db2.gz MODOJZCYLJEISW-QFIPXVFZSA-N 1 2 488.608 1.804 20 0 JDADLO 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/nfs/dbraw/zinc/75/98/16/1067759816.db2.gz PXTPAPJDQOXVFR-UHFFFAOYSA-N 1 2 453.952 1.035 20 0 JDADLO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1=O ZINC001465308115 1067777287 /nfs/dbraw/zinc/77/72/87/1067777287.db2.gz WVQVFSYNTWOTGM-FQEVSTJZSA-N 1 2 450.539 1.243 20 0 JDADLO Cc1cc(Br)ccc1SCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465378657 1067790375 /nfs/dbraw/zinc/79/03/75/1067790375.db2.gz ZRTUQFBEAMXZRP-INIZCTEOSA-N 1 2 456.406 1.899 20 0 JDADLO CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379319 1067791247 /nfs/dbraw/zinc/79/12/47/1067791247.db2.gz MZUOPLVGLJPCED-QGZVFWFLSA-N 1 2 456.568 1.688 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCCC[C@H]12 ZINC001465380275 1067791523 /nfs/dbraw/zinc/79/15/23/1067791523.db2.gz XSCVWUXZVQPOQB-YDIMBITNSA-N 1 2 464.607 1.606 20 0 JDADLO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465380117 1067791909 /nfs/dbraw/zinc/79/19/09/1067791909.db2.gz WFBBEUPKYAGAEZ-SFHVURJKSA-N 1 2 457.527 1.092 20 0 JDADLO O=C(c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001465486117 1067804891 /nfs/dbraw/zinc/80/48/91/1067804891.db2.gz GQOYAHYRMZYTJD-IBGZPJMESA-N 1 2 459.568 1.665 20 0 JDADLO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC001465528266 1067807835 /nfs/dbraw/zinc/80/78/35/1067807835.db2.gz NNUSGZYBKVUXER-WSTZPKSXSA-N 1 2 451.589 1.421 20 0 JDADLO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC001465528265 1067807886 /nfs/dbraw/zinc/80/78/86/1067807886.db2.gz NNUSGZYBKVUXER-QWFCFKBJSA-N 1 2 451.589 1.421 20 0 JDADLO C[NH+](C)CCN(C(=O)c1cc(Br)c2ncc(C=O)n2c1)[C@@H]1CCS(=O)(=O)C1 ZINC001465666164 1067817998 /nfs/dbraw/zinc/81/79/98/1067817998.db2.gz QGALWGOECKAOHL-CYBMUJFWSA-N 1 2 457.350 1.100 20 0 JDADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[NH+](CCOC(C)C)CC3)CC2)c1 ZINC001465675497 1067818535 /nfs/dbraw/zinc/81/85/35/1067818535.db2.gz UDOPOIUNDSHJHK-UHFFFAOYSA-N 1 2 452.621 1.016 20 0 JDADLO CCc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC001465674578 1067818575 /nfs/dbraw/zinc/81/85/75/1067818575.db2.gz DBJPVYFQQBEZFH-UHFFFAOYSA-N 1 2 453.605 1.453 20 0 JDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001465701959 1067821302 /nfs/dbraw/zinc/82/13/02/1067821302.db2.gz CMCSAZNBRBOODM-LJQANCHMSA-N 1 2 457.493 1.709 20 0 JDADLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001465702401 1067821664 /nfs/dbraw/zinc/82/16/64/1067821664.db2.gz INGURLXANHPOER-RBUKOAKNSA-N 1 2 453.605 1.323 20 0 JDADLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001465702399 1067821690 /nfs/dbraw/zinc/82/16/90/1067821690.db2.gz INGURLXANHPOER-MOPGFXCFSA-N 1 2 453.605 1.323 20 0 JDADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 ZINC001465736822 1067824904 /nfs/dbraw/zinc/82/49/04/1067824904.db2.gz UWBVCSZMBVVLSG-CQSZACIVSA-N 1 2 452.508 1.664 20 0 JDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC001465741659 1067825270 /nfs/dbraw/zinc/82/52/70/1067825270.db2.gz LTOIVMSKRSKURX-UHFFFAOYSA-N 1 2 450.337 1.713 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)cc1 ZINC001465752801 1067826398 /nfs/dbraw/zinc/82/63/98/1067826398.db2.gz FOTCNNLPMPXDDR-NRFANRHFSA-N 1 2 456.547 1.073 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)cc1 ZINC001465752801 1067826400 /nfs/dbraw/zinc/82/64/00/1067826400.db2.gz FOTCNNLPMPXDDR-NRFANRHFSA-N 1 2 456.547 1.073 20 0 JDADLO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001465777424 1067829149 /nfs/dbraw/zinc/82/91/49/1067829149.db2.gz NWNIYMYMEMCOEL-UHFFFAOYSA-N 1 2 454.955 1.987 20 0 JDADLO C[N@@H+]1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781974 1067829862 /nfs/dbraw/zinc/82/98/62/1067829862.db2.gz LSBFMTCGVOJAGR-AWEZNQCLSA-N 1 2 458.606 1.093 20 0 JDADLO C[N@H+]1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781974 1067829864 /nfs/dbraw/zinc/82/98/64/1067829864.db2.gz LSBFMTCGVOJAGR-AWEZNQCLSA-N 1 2 458.606 1.093 20 0 JDADLO Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001465782378 1067829902 /nfs/dbraw/zinc/82/99/02/1067829902.db2.gz VGXMHEYYKJYAGN-QGZVFWFLSA-N 1 2 454.593 1.249 20 0 JDADLO Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001465782378 1067829904 /nfs/dbraw/zinc/82/99/04/1067829904.db2.gz VGXMHEYYKJYAGN-QGZVFWFLSA-N 1 2 454.593 1.249 20 0 JDADLO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001465782458 1067829922 /nfs/dbraw/zinc/82/99/22/1067829922.db2.gz WXBPHQNFGQMIOS-OAHLLOKOSA-N 1 2 457.535 1.157 20 0 JDADLO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001465782458 1067829924 /nfs/dbraw/zinc/82/99/24/1067829924.db2.gz WXBPHQNFGQMIOS-OAHLLOKOSA-N 1 2 457.535 1.157 20 0 JDADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cnn(CC(=O)NCCOC)c2)[C@@H](C)C1 ZINC001465806193 1067832899 /nfs/dbraw/zinc/83/28/99/1067832899.db2.gz AAIOGSNCGKOHNB-SFHVURJKSA-N 1 2 458.563 1.783 20 0 JDADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cnn(CC(=O)NCCOC)c2)[C@@H](C)C1 ZINC001465806193 1067832902 /nfs/dbraw/zinc/83/29/02/1067832902.db2.gz AAIOGSNCGKOHNB-SFHVURJKSA-N 1 2 458.563 1.783 20 0 JDADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC001465834929 1067835421 /nfs/dbraw/zinc/83/54/21/1067835421.db2.gz VPEOZANCZUHNDM-INIZCTEOSA-N 1 2 452.602 1.661 20 0 JDADLO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCOCC1 ZINC001465852917 1067836577 /nfs/dbraw/zinc/83/65/77/1067836577.db2.gz RJBQYPQDBKSMOU-OALUTQOASA-N 1 2 455.596 1.646 20 0 JDADLO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCOCC1 ZINC001465852918 1067836608 /nfs/dbraw/zinc/83/66/08/1067836608.db2.gz RJBQYPQDBKSMOU-RBUKOAKNSA-N 1 2 455.596 1.646 20 0 JDADLO CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC001465857300 1067837149 /nfs/dbraw/zinc/83/71/49/1067837149.db2.gz SMMVXTNFYNKKNP-MRXNPFEDSA-N 1 2 452.556 1.854 20 0 JDADLO CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC001465857300 1067837152 /nfs/dbraw/zinc/83/71/52/1067837152.db2.gz SMMVXTNFYNKKNP-MRXNPFEDSA-N 1 2 452.556 1.854 20 0 JDADLO COC(=O)c1cccc(NC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC001465878720 1067838834 /nfs/dbraw/zinc/83/88/34/1067838834.db2.gz CYCQSKORYJPMEO-LJQANCHMSA-N 1 2 458.559 1.057 20 0 JDADLO C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001465882805 1067839083 /nfs/dbraw/zinc/83/90/83/1067839083.db2.gz ZFZXAHRNIFRPOC-YJYMSZOUSA-N 1 2 459.528 1.518 20 0 JDADLO C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001465882805 1067839085 /nfs/dbraw/zinc/83/90/85/1067839085.db2.gz ZFZXAHRNIFRPOC-YJYMSZOUSA-N 1 2 459.528 1.518 20 0 JDADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 ZINC001465900594 1067840903 /nfs/dbraw/zinc/84/09/03/1067840903.db2.gz YSHBRKRRMQTEEX-GOEBONIOSA-N 1 2 451.955 1.485 20 0 JDADLO CC[NH+](CC)CCN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@H]1CCS(=O)(=O)C1 ZINC001466157001 1067865431 /nfs/dbraw/zinc/86/54/31/1067865431.db2.gz HOAHGLLWTCLTNE-HNNXBMFYSA-N 1 2 452.602 1.043 20 0 JDADLO CC[NH+](CC)CCN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC001466157002 1067865475 /nfs/dbraw/zinc/86/54/75/1067865475.db2.gz HOAHGLLWTCLTNE-OAHLLOKOSA-N 1 2 452.602 1.043 20 0 JDADLO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001466181101 1067867859 /nfs/dbraw/zinc/86/78/59/1067867859.db2.gz ZNIINWCEZUSXHF-CQSZACIVSA-N 1 2 459.374 1.843 20 0 JDADLO CCOC1CC(CNC(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)([NH+]2CCOCC2)C1 ZINC001466190777 1067868636 /nfs/dbraw/zinc/86/86/36/1067868636.db2.gz IZMPQRMJIVFKDR-UHFFFAOYSA-N 1 2 459.591 1.747 20 0 JDADLO CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC001466274810 1067874781 /nfs/dbraw/zinc/87/47/81/1067874781.db2.gz UMRVRPACJURIFM-VKAVYKQESA-N 1 2 452.577 1.356 20 0 JDADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001466303153 1067877756 /nfs/dbraw/zinc/87/77/56/1067877756.db2.gz ODSOTMPKZCNBLT-IRXDYDNUSA-N 1 2 451.470 1.789 20 0 JDADLO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001466304451 1067877816 /nfs/dbraw/zinc/87/78/16/1067877816.db2.gz VDLUQZHEHZPMPS-OAHLLOKOSA-N 1 2 454.453 1.589 20 0 JDADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001466346191 1067880612 /nfs/dbraw/zinc/88/06/12/1067880612.db2.gz VNIXYZIQOSSPMP-UHFFFAOYSA-N 1 2 459.572 1.336 20 0 JDADLO COCCNS(=O)(=O)c1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC001466398732 1067883034 /nfs/dbraw/zinc/88/30/34/1067883034.db2.gz SEISXRRDPYFOAW-DOTOQJQBSA-N 1 2 451.549 1.931 20 0 JDADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)cc2)CC1 ZINC001466449999 1067885618 /nfs/dbraw/zinc/88/56/18/1067885618.db2.gz VIXSDAFJEJWXAT-UHFFFAOYSA-N 1 2 450.948 1.904 20 0 JDADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CNS(=O)(=O)c2ccccc2F)c2ccc(Cl)cc2)C1 ZINC001466561291 1067892838 /nfs/dbraw/zinc/89/28/38/1067892838.db2.gz BYEMFCPTVHLNJZ-FXAWDEMLSA-N 1 2 455.939 1.946 20 0 JDADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CNS(=O)(=O)c2ccccc2F)c2ccc(Cl)cc2)C1 ZINC001466561291 1067892840 /nfs/dbraw/zinc/89/28/40/1067892840.db2.gz BYEMFCPTVHLNJZ-FXAWDEMLSA-N 1 2 455.939 1.946 20 0 JDADLO CC(C)N1CC[NH+](CCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)CC1 ZINC001466626263 1067895861 /nfs/dbraw/zinc/89/58/61/1067895861.db2.gz CXXOJAQEZAONPG-UHFFFAOYSA-N 1 2 454.593 1.158 20 0 JDADLO CCOC(=O)CN1c2ccc(NC(=O)N[C@H](CC)C[NH+]3CCOCC3)cc2C(F)(F)C1=O ZINC001466644983 1067897031 /nfs/dbraw/zinc/89/70/31/1067897031.db2.gz VFNPTHVBPCWJRI-CQSZACIVSA-N 1 2 454.474 1.920 20 0 JDADLO 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CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCC[C@@](O)(C4CC4)C3)cc2)CC1 ZINC001468549344 1068311715 /nfs/dbraw/zinc/31/17/15/1068311715.db2.gz OZTRTVQNIQEULH-VWLOTQADSA-N 1 2 458.603 1.719 20 0 JDADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001468602877 1068322245 /nfs/dbraw/zinc/32/22/45/1068322245.db2.gz FARCZZCNCBUMGO-UHFFFAOYSA-N 1 2 458.650 1.875 20 0 JDADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001468602877 1068322258 /nfs/dbraw/zinc/32/22/58/1068322258.db2.gz FARCZZCNCBUMGO-UHFFFAOYSA-N 1 2 458.650 1.875 20 0 JDADLO COC(=O)c1ccc2cc(CCNC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)oc2c1 ZINC001468636430 1068329732 /nfs/dbraw/zinc/32/97/32/1068329732.db2.gz PAUHMCBDDUAVIO-UHFFFAOYSA-N 1 2 451.545 1.570 20 0 JDADLO COc1ccc([C@H](O)C2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)cc1 ZINC001468636123 1068330217 /nfs/dbraw/zinc/33/02/17/1068330217.db2.gz LDYMZMOPBOSRFW-NRFANRHFSA-N 1 2 453.605 1.659 20 0 JDADLO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)c(Cl)c1 ZINC001468644036 1068332195 /nfs/dbraw/zinc/33/21/95/1068332195.db2.gz XACWBMCOELFHQM-ROUUACIJSA-N 1 2 452.983 1.990 20 0 JDADLO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)c(Cl)c1 ZINC001468644036 1068332209 /nfs/dbraw/zinc/33/22/09/1068332209.db2.gz XACWBMCOELFHQM-ROUUACIJSA-N 1 2 452.983 1.990 20 0 JDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC001468664386 1068339581 /nfs/dbraw/zinc/33/95/81/1068339581.db2.gz ZZILARFQSWQSDT-BEFAXECRSA-N 1 2 458.485 1.238 20 0 JDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC001468664386 1068339598 /nfs/dbraw/zinc/33/95/98/1068339598.db2.gz ZZILARFQSWQSDT-BEFAXECRSA-N 1 2 458.485 1.238 20 0 JDADLO C[C@H](C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001468699727 1068349623 /nfs/dbraw/zinc/34/96/23/1068349623.db2.gz XTRVDKIQTQCXNR-QZTJIDSGSA-N 1 2 452.596 1.657 20 0 JDADLO C[C@H](C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001468699726 1068349963 /nfs/dbraw/zinc/34/99/63/1068349963.db2.gz XTRVDKIQTQCXNR-MSOLQXFVSA-N 1 2 452.596 1.657 20 0 JDADLO CCOC(=O)C1(CC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCOCC1 ZINC001468710968 1068351100 /nfs/dbraw/zinc/35/11/00/1068351100.db2.gz GFTXNAJZQXOIIR-SFHVURJKSA-N 1 2 453.580 1.890 20 0 JDADLO Cn1c2ccccc2n(CCC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1=O ZINC001468713849 1068352125 /nfs/dbraw/zinc/35/21/25/1068352125.db2.gz YCFBOVUWLBSQIG-SFHVURJKSA-N 1 2 457.575 1.884 20 0 JDADLO CCOc1ccc(N2CCN(C(=O)N[C@@H](Cc3ccccc3)C[NH+]3CCOCC3)CC2)nn1 ZINC001468934025 1068396300 /nfs/dbraw/zinc/39/63/00/1068396300.db2.gz IXMLYFIMHAPKBT-NRFANRHFSA-N 1 2 454.575 1.650 20 0 JDADLO CC(C)(C)OC(=O)NCCN(CCO)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001468935564 1068397025 /nfs/dbraw/zinc/39/70/25/1068397025.db2.gz WIEUDSLZUVRYBL-HXUWFJFHSA-N 1 2 450.580 1.459 20 0 JDADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001468940625 1068397844 /nfs/dbraw/zinc/39/78/44/1068397844.db2.gz WAZXTASVCNEXNA-RXVVDRJESA-N 1 2 450.605 1.485 20 0 JDADLO COc1ccc(-c2nnc(CNC(=O)N[C@@H](C)C[NH+]3CCN(c4ccccn4)CC3)[nH]2)cc1 ZINC001468943374 1068398898 /nfs/dbraw/zinc/39/88/98/1068398898.db2.gz WQVOHOGIGYUDLH-KRWDZBQOSA-N 1 2 450.547 1.885 20 0 JDADLO COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](C)C[NH+]3CCN(c4ccccn4)CC3)n2)cc1 ZINC001468943374 1068398917 /nfs/dbraw/zinc/39/89/17/1068398917.db2.gz WQVOHOGIGYUDLH-KRWDZBQOSA-N 1 2 450.547 1.885 20 0 JDADLO CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC001468963069 1068407437 /nfs/dbraw/zinc/40/74/37/1068407437.db2.gz MAVBXANBMPKUPW-MPEABJBUSA-N 1 2 458.632 1.929 20 0 JDADLO COCC(COC)[NH+]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001468987676 1068416119 /nfs/dbraw/zinc/41/61/19/1068416119.db2.gz ULLHCKIPTLQMIP-UHFFFAOYSA-N 1 2 454.376 1.077 20 0 JDADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)cc1 ZINC001469025239 1068428828 /nfs/dbraw/zinc/42/88/28/1068428828.db2.gz HJIWGWABWFPCTI-GCJKJVERSA-N 1 2 450.605 1.757 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001469152776 1068452875 /nfs/dbraw/zinc/45/28/75/1068452875.db2.gz GLDZSWDHVZOOJC-QGZVFWFLSA-N 1 2 458.481 1.801 20 0 JDADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(C(N)=O)CCOCC2)cc1 ZINC001546172981 1068462977 /nfs/dbraw/zinc/46/29/77/1068462977.db2.gz NUTLSAWFSFJZIF-UHFFFAOYSA-N 1 2 456.591 1.558 20 0 JDADLO COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001469344632 1068498918 /nfs/dbraw/zinc/49/89/18/1068498918.db2.gz COTGLIDSIILZNR-LBPRGKRZSA-N 1 2 457.350 1.315 20 0 JDADLO CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001469346625 1068500488 /nfs/dbraw/zinc/50/04/88/1068500488.db2.gz SHFDFAXVETVSRX-BEFAXECRSA-N 1 2 452.602 1.813 20 0 JDADLO CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC001469422115 1068516423 /nfs/dbraw/zinc/51/64/23/1068516423.db2.gz LFSFOJNLJRKIAJ-UHFFFAOYSA-N 1 2 452.621 1.722 20 0 JDADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001469443888 1068519391 /nfs/dbraw/zinc/51/93/91/1068519391.db2.gz FQKQQJAPDDOQDV-OAHLLOKOSA-N 1 2 451.499 1.655 20 0 JDADLO CC[C@H](CSc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001469488936 1068532417 /nfs/dbraw/zinc/53/24/17/1068532417.db2.gz LUAKTJHJTQKYRW-GOSISDBHSA-N 1 2 455.650 1.377 20 0 JDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001469545787 1068543228 /nfs/dbraw/zinc/54/32/28/1068543228.db2.gz MCPXCPGPCLBWGX-KNQAVFIVSA-N 1 2 451.589 1.567 20 0 JDADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 ZINC001469572818 1068550004 /nfs/dbraw/zinc/55/00/04/1068550004.db2.gz CFSHHOFAVGPISW-ZDUSSCGKSA-N 1 2 451.574 1.624 20 0 JDADLO O=C(NCc1nc2ccc(Br)cc2o1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001469581701 1068552021 /nfs/dbraw/zinc/55/20/21/1068552021.db2.gz PBKHLOSEMODOHH-ZDUSSCGKSA-N 1 2 451.321 1.387 20 0 JDADLO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001469879417 1068612167 /nfs/dbraw/zinc/61/21/67/1068612167.db2.gz AMIGSYNCVGVFAM-VTYIMSSISA-N 1 2 453.630 1.632 20 0 JDADLO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC[C@]1(O)CCOC1 ZINC001469956287 1068646010 /nfs/dbraw/zinc/64/60/10/1068646010.db2.gz MXDRKBOQKYFOAE-FUHWJXTLSA-N 1 2 459.328 1.706 20 0 JDADLO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC[C@]1(O)CCOC1 ZINC001469956287 1068646016 /nfs/dbraw/zinc/64/60/16/1068646016.db2.gz MXDRKBOQKYFOAE-FUHWJXTLSA-N 1 2 459.328 1.706 20 0 JDADLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC[C@@]1(O)CCOC1 ZINC001469956285 1068646056 /nfs/dbraw/zinc/64/60/56/1068646056.db2.gz MXDRKBOQKYFOAE-AEFFLSMTSA-N 1 2 459.328 1.706 20 0 JDADLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC[C@@]1(O)CCOC1 ZINC001469956285 1068646092 /nfs/dbraw/zinc/64/60/92/1068646092.db2.gz MXDRKBOQKYFOAE-AEFFLSMTSA-N 1 2 459.328 1.706 20 0 JDADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC001469981407 1068655426 /nfs/dbraw/zinc/65/54/26/1068655426.db2.gz GFSDEZGFQGNMIJ-UHFFFAOYSA-N 1 2 457.556 1.419 20 0 JDADLO CCOC1CC(CNC(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)([NH+]2CCOCC2)C1 ZINC001470012468 1068665912 /nfs/dbraw/zinc/66/59/12/1068665912.db2.gz IEOVDSQLAYXTAT-NYXBAERPSA-N 1 2 458.575 1.903 20 0 JDADLO CCOC1CC(CNC(=O)N2CCN(C(=O)c3ccc(CC)cc3)CC2)([NH+]2CCOCC2)C1 ZINC001470013605 1068666015 /nfs/dbraw/zinc/66/60/15/1068666015.db2.gz YCVDIDCQEJSHIP-UHFFFAOYSA-N 1 2 458.603 1.986 20 0 JDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC001470111734 1068701961 /nfs/dbraw/zinc/70/19/61/1068701961.db2.gz NXWRXLUAHUYEPS-ZDUSSCGKSA-N 1 2 453.392 1.682 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001470226229 1068728406 /nfs/dbraw/zinc/72/84/06/1068728406.db2.gz QCYKUTYFYDKHBT-UZLBHIALSA-N 1 2 453.333 1.263 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001470226229 1068728422 /nfs/dbraw/zinc/72/84/22/1068728422.db2.gz QCYKUTYFYDKHBT-UZLBHIALSA-N 1 2 453.333 1.263 20 0 JDADLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)cc1 ZINC001470245685 1068732118 /nfs/dbraw/zinc/73/21/18/1068732118.db2.gz DGVDHLYFOHMIBA-ZDUSSCGKSA-N 1 2 450.425 1.726 20 0 JDADLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)cc1 ZINC001470245685 1068732136 /nfs/dbraw/zinc/73/21/36/1068732136.db2.gz DGVDHLYFOHMIBA-ZDUSSCGKSA-N 1 2 450.425 1.726 20 0 JDADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)cc1 ZINC001470245684 1068732485 /nfs/dbraw/zinc/73/24/85/1068732485.db2.gz DGVDHLYFOHMIBA-CYBMUJFWSA-N 1 2 450.425 1.726 20 0 JDADLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)cc1 ZINC001470245684 1068732498 /nfs/dbraw/zinc/73/24/98/1068732498.db2.gz DGVDHLYFOHMIBA-CYBMUJFWSA-N 1 2 450.425 1.726 20 0 JDADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1cc(Br)c(Br)[nH]1 ZINC001470331617 1068746602 /nfs/dbraw/zinc/74/66/02/1068746602.db2.gz KRPIBUKLYPHEQP-UHFFFAOYSA-N 1 2 458.158 1.882 20 0 JDADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOc2cc(Br)ccc2C1 ZINC001470486158 1068770099 /nfs/dbraw/zinc/77/00/99/1068770099.db2.gz HDXOPZVTCLCNQI-MRXNPFEDSA-N 1 2 452.349 1.351 20 0 JDADLO NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC001470594005 1068789334 /nfs/dbraw/zinc/78/93/34/1068789334.db2.gz QTCXBNAKPRGAHD-UHFFFAOYSA-N 1 2 454.556 1.605 20 0 JDADLO O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001470685709 1068802068 /nfs/dbraw/zinc/80/20/68/1068802068.db2.gz LJIFTHOJXXHUIB-MRXNPFEDSA-N 1 2 450.479 1.125 20 0 JDADLO CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001470715057 1068804880 /nfs/dbraw/zinc/80/48/80/1068804880.db2.gz BERGHYFKAGJHPA-KRWDZBQOSA-N 1 2 450.561 1.994 20 0 JDADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)C1 ZINC001470726518 1068805513 /nfs/dbraw/zinc/80/55/13/1068805513.db2.gz WUAVJPMAXBWMHF-ZWKOTPCHSA-N 1 2 453.561 1.289 20 0 JDADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001470851375 1068817386 /nfs/dbraw/zinc/81/73/86/1068817386.db2.gz AZXGLSOADCEQJW-DRKIFQHWSA-N 1 2 451.589 1.755 20 0 JDADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001470851375 1068817388 /nfs/dbraw/zinc/81/73/88/1068817388.db2.gz AZXGLSOADCEQJW-DRKIFQHWSA-N 1 2 451.589 1.755 20 0 JDADLO CCOc1cc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)ccc1OCC(=O)N1CCCCC1 ZINC001470879537 1068819937 /nfs/dbraw/zinc/81/99/37/1068819937.db2.gz HFTHJEBNKUOIGL-FQEVSTJZSA-N 1 2 455.559 1.997 20 0 JDADLO Cn1cc([C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)CC[NH2+]2)cn1 ZINC001470881890 1068820331 /nfs/dbraw/zinc/82/03/31/1068820331.db2.gz ZSCJLGZOJICXLD-SFHVURJKSA-N 1 2 453.515 1.272 20 0 JDADLO CN(c1cccc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)c1)S(C)(=O)=O ZINC001470933962 1068823990 /nfs/dbraw/zinc/82/39/90/1068823990.db2.gz FTDMHFHJVFLZRP-QFIPXVFZSA-N 1 2 459.616 1.698 20 0 JDADLO CN(c1cccc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)c1)S(C)(=O)=O ZINC001470933962 1068823994 /nfs/dbraw/zinc/82/39/94/1068823994.db2.gz FTDMHFHJVFLZRP-QFIPXVFZSA-N 1 2 459.616 1.698 20 0 JDADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC001470949146 1068825455 /nfs/dbraw/zinc/82/54/55/1068825455.db2.gz JTFIURUKEGKSIC-PMERELPUSA-N 1 2 454.618 1.621 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)c1 ZINC001471100846 1068835243 /nfs/dbraw/zinc/83/52/43/1068835243.db2.gz JGCDDXURBLPGQH-PCCBWWKXSA-N 1 2 462.591 1.723 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)c1 ZINC001471100846 1068835250 /nfs/dbraw/zinc/83/52/50/1068835250.db2.gz JGCDDXURBLPGQH-PCCBWWKXSA-N 1 2 462.591 1.723 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)c1 ZINC001471101938 1068835539 /nfs/dbraw/zinc/83/55/39/1068835539.db2.gz RZYZJJFWIKWIGF-HXUWFJFHSA-N 1 2 450.580 1.724 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)c1 ZINC001471101938 1068835542 /nfs/dbraw/zinc/83/55/42/1068835542.db2.gz RZYZJJFWIKWIGF-HXUWFJFHSA-N 1 2 450.580 1.724 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC(N4CCCS4(=O)=O)CC3)C2)c1 ZINC001471102051 1068835645 /nfs/dbraw/zinc/83/56/45/1068835645.db2.gz SJCHQNKTIKGWGC-NRFANRHFSA-N 1 2 450.605 1.405 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC(N4CCCS4(=O)=O)CC3)C2)c1 ZINC001471102051 1068835649 /nfs/dbraw/zinc/83/56/49/1068835649.db2.gz SJCHQNKTIKGWGC-NRFANRHFSA-N 1 2 450.605 1.405 20 0 JDADLO O=C(N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001471129717 1068837865 /nfs/dbraw/zinc/83/78/65/1068837865.db2.gz MDRASKVMRFHFLG-SFHLNBCPSA-N 1 2 450.605 1.087 20 0 JDADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001471208180 1068842943 /nfs/dbraw/zinc/84/29/43/1068842943.db2.gz SQVIZHYNQSHONW-VBKFSLOCSA-N 1 2 451.589 1.889 20 0 JDADLO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001471229898 1068844600 /nfs/dbraw/zinc/84/46/00/1068844600.db2.gz DXSPPJGBUGJKQT-PKOBYXMFSA-N 1 2 452.596 1.319 20 0 JDADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)c1 ZINC001471229036 1068844697 /nfs/dbraw/zinc/84/46/97/1068844697.db2.gz MMOJZISEONEISU-NRFANRHFSA-N 1 2 459.568 1.493 20 0 JDADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)c1 ZINC001471229036 1068844698 /nfs/dbraw/zinc/84/46/98/1068844698.db2.gz MMOJZISEONEISU-NRFANRHFSA-N 1 2 459.568 1.493 20 0 JDADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)cc1 ZINC001471236043 1068845611 /nfs/dbraw/zinc/84/56/11/1068845611.db2.gz XXCABGPACGORSX-NRFANRHFSA-N 1 2 459.568 1.493 20 0 JDADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)cc1 ZINC001471236043 1068845614 /nfs/dbraw/zinc/84/56/14/1068845614.db2.gz XXCABGPACGORSX-NRFANRHFSA-N 1 2 459.568 1.493 20 0 JDADLO O=C(N[C@H](CO)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)OCC1c2ccccc2-c2ccccc21 ZINC001471341108 1068856317 /nfs/dbraw/zinc/85/63/17/1068856317.db2.gz HGVNZKPDGIXHQQ-KSFYIVLOSA-N 1 2 450.495 1.329 20 0 JDADLO O=C(N[C@H](CO)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC001471341108 1068856323 /nfs/dbraw/zinc/85/63/23/1068856323.db2.gz HGVNZKPDGIXHQQ-KSFYIVLOSA-N 1 2 450.495 1.329 20 0 JDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 ZINC001471396041 1068861577 /nfs/dbraw/zinc/86/15/77/1068861577.db2.gz SDOUBGITNRZESM-SRXHXZOOSA-N 1 2 453.580 1.650 20 0 JDADLO O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001471409856 1068863420 /nfs/dbraw/zinc/86/34/20/1068863420.db2.gz OFMQVZZGJKOSHS-UHFFFAOYSA-N 1 2 452.939 1.021 20 0 JDADLO O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001471409856 1068863421 /nfs/dbraw/zinc/86/34/21/1068863421.db2.gz OFMQVZZGJKOSHS-UHFFFAOYSA-N 1 2 452.939 1.021 20 0 JDADLO COC(=O)C1(O)CN(C(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)C1 ZINC001471415659 1068863792 /nfs/dbraw/zinc/86/37/92/1068863792.db2.gz LLMGYUXAZPZTQI-SFHVURJKSA-N 1 2 458.515 1.114 20 0 JDADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001471450345 1068867975 /nfs/dbraw/zinc/86/79/75/1068867975.db2.gz FXDCGMWBKOKTJY-BRWVUGGUSA-N 1 2 471.599 1.471 20 0 JDADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001471450345 1068867980 /nfs/dbraw/zinc/86/79/80/1068867980.db2.gz FXDCGMWBKOKTJY-BRWVUGGUSA-N 1 2 471.599 1.471 20 0 JDADLO COc1ccc(-c2noc(CN3CCN(C(=O)N[C@H](C)[C@@H]4CN(C)CC[N@@H+]4C)CC3)n2)cc1 ZINC001471602522 1068883336 /nfs/dbraw/zinc/88/33/36/1068883336.db2.gz RCUGPXYPWXFSJI-XLIONFOSSA-N 1 2 457.579 1.207 20 0 JDADLO COc1ccc(-c2noc(CN3CCN(C(=O)N[C@H](C)[C@@H]4CN(C)CC[N@H+]4C)CC3)n2)cc1 ZINC001471602522 1068883338 /nfs/dbraw/zinc/88/33/38/1068883338.db2.gz RCUGPXYPWXFSJI-XLIONFOSSA-N 1 2 457.579 1.207 20 0 JDADLO COc1ccc(-c2noc(CN3CCN(C(=O)N[C@H](C)[C@H]4CN(C)CC[N@@H+]4C)CC3)n2)cc1 ZINC001471602524 1068883429 /nfs/dbraw/zinc/88/34/29/1068883429.db2.gz RCUGPXYPWXFSJI-YLJYHZDGSA-N 1 2 457.579 1.207 20 0 JDADLO COc1ccc(-c2noc(CN3CCN(C(=O)N[C@H](C)[C@H]4CN(C)CC[N@H+]4C)CC3)n2)cc1 ZINC001471602524 1068883430 /nfs/dbraw/zinc/88/34/30/1068883430.db2.gz RCUGPXYPWXFSJI-YLJYHZDGSA-N 1 2 457.579 1.207 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1 ZINC001471647186 1068887390 /nfs/dbraw/zinc/88/73/90/1068887390.db2.gz KKQKYOFBIZNWPC-OALUTQOASA-N 1 2 454.556 1.283 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1 ZINC001471647186 1068887391 /nfs/dbraw/zinc/88/73/91/1068887391.db2.gz KKQKYOFBIZNWPC-OALUTQOASA-N 1 2 454.556 1.283 20 0 JDADLO Cn1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)n1 ZINC001471651060 1068887801 /nfs/dbraw/zinc/88/78/01/1068887801.db2.gz AIKWMOFDYRQRET-QGZVFWFLSA-N 1 2 455.544 1.862 20 0 JDADLO Cn1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC001471651060 1068887804 /nfs/dbraw/zinc/88/78/04/1068887804.db2.gz AIKWMOFDYRQRET-QGZVFWFLSA-N 1 2 455.544 1.862 20 0 JDADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC001471722119 1068894979 /nfs/dbraw/zinc/89/49/79/1068894979.db2.gz XXJFNLUIUUVAQK-QGZVFWFLSA-N 1 2 450.584 1.999 20 0 JDADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC001471722119 1068894982 /nfs/dbraw/zinc/89/49/82/1068894982.db2.gz XXJFNLUIUUVAQK-QGZVFWFLSA-N 1 2 450.584 1.999 20 0 JDADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC001471828619 1068914560 /nfs/dbraw/zinc/91/45/60/1068914560.db2.gz HMNVZYDVFAXFJL-HNNXBMFYSA-N 1 2 451.365 1.425 20 0 JDADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC001471828619 1068914567 /nfs/dbraw/zinc/91/45/67/1068914567.db2.gz HMNVZYDVFAXFJL-HNNXBMFYSA-N 1 2 451.365 1.425 20 0 JDADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC001471829100 1068915333 /nfs/dbraw/zinc/91/53/33/1068915333.db2.gz ZJIXABPJBYKPKE-UHFFFAOYSA-N 1 2 459.012 1.653 20 0 JDADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC001471829100 1068915344 /nfs/dbraw/zinc/91/53/44/1068915344.db2.gz ZJIXABPJBYKPKE-UHFFFAOYSA-N 1 2 459.012 1.653 20 0 JDADLO Cc1oc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1CN1C(=O)c2ccccc2C1=O ZINC001471830108 1068915581 /nfs/dbraw/zinc/91/55/81/1068915581.db2.gz KBHGOKVEOAUTJN-UHFFFAOYSA-N 1 2 452.511 1.620 20 0 JDADLO Cc1oc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1CN1C(=O)c2ccccc2C1=O ZINC001471830108 1068915591 /nfs/dbraw/zinc/91/55/91/1068915591.db2.gz KBHGOKVEOAUTJN-UHFFFAOYSA-N 1 2 452.511 1.620 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3[nH]c4c([nH+]3)CCCC4)CS(=O)(=O)[C@@H]2C1 ZINC001472064974 1068948081 /nfs/dbraw/zinc/94/80/81/1068948081.db2.gz HDQUEUKYXMJDTD-CKEIUWERSA-N 1 2 452.577 1.575 20 0 JDADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC001472084265 1068950124 /nfs/dbraw/zinc/95/01/24/1068950124.db2.gz GIZADADVPNHELP-CYBMUJFWSA-N 1 2 451.277 1.188 20 0 JDADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC001472084265 1068950134 /nfs/dbraw/zinc/95/01/34/1068950134.db2.gz GIZADADVPNHELP-CYBMUJFWSA-N 1 2 451.277 1.188 20 0 JDADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001499314442 1068973230 /nfs/dbraw/zinc/97/32/30/1068973230.db2.gz KYKUAYXLVYBDBF-QRQLOZEOSA-N 1 2 478.594 1.337 20 0 JDADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001499314441 1068973458 /nfs/dbraw/zinc/97/34/58/1068973458.db2.gz KYKUAYXLVYBDBF-BHIYHBOVSA-N 1 2 478.594 1.337 20 0 JDADLO CC[C@H]1C(=O)NCCN1c1nnc(CCCc2ccccc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499320816 1068979741 /nfs/dbraw/zinc/97/97/41/1068979741.db2.gz IIILMXIWUJFQOM-QFIPXVFZSA-N 1 2 467.618 1.332 20 0 JDADLO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001499333915 1068990000 /nfs/dbraw/zinc/99/00/00/1068990000.db2.gz YGDKTYXACXNMAJ-YLJYHZDGSA-N 1 2 458.563 1.301 20 0 JDADLO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001499333913 1068990385 /nfs/dbraw/zinc/99/03/85/1068990385.db2.gz YGDKTYXACXNMAJ-PXNSSMCTSA-N 1 2 458.563 1.301 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc[nH+]1 ZINC001472332518 1068993225 /nfs/dbraw/zinc/99/32/25/1068993225.db2.gz GILKCODSWPDIBN-AFAVFJNCSA-N 1 2 453.952 1.491 20 0 JDADLO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001499367458 1068994914 /nfs/dbraw/zinc/99/49/14/1068994914.db2.gz UGYSBRKEVBRWNB-BHIYHBOVSA-N 1 2 477.635 1.745 20 0 JDADLO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001499415386 1068998975 /nfs/dbraw/zinc/99/89/75/1068998975.db2.gz UXKQMPDKXGQSQY-GUDVDZBRSA-N 1 2 484.667 1.347 20 0 JDADLO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001499415386 1068998999 /nfs/dbraw/zinc/99/89/99/1068998999.db2.gz UXKQMPDKXGQSQY-GUDVDZBRSA-N 1 2 484.667 1.347 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)cc[nH+]1 ZINC001472383514 1069001669 /nfs/dbraw/zinc/00/16/69/1069001669.db2.gz MBXMWUJDMZDQSO-WJONJSRFSA-N 1 2 465.526 1.446 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2cc(S(N)(=O)=O)ccc2Br)cc[nH+]1 ZINC001472383758 1069002025 /nfs/dbraw/zinc/00/20/25/1069002025.db2.gz RNCHXSPOQYZZGA-LSDHHAIUSA-N 1 2 470.349 1.194 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)cc[nH+]1 ZINC001472383639 1069002159 /nfs/dbraw/zinc/00/21/59/1069002159.db2.gz NTCAUJHKLYIVIT-ZWKOTPCHSA-N 1 2 451.524 1.610 20 0 JDADLO COc1cc([C@@H](C)NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)ccc1S(C)(=O)=O ZINC001472401649 1069005774 /nfs/dbraw/zinc/00/57/74/1069005774.db2.gz TYSITVGXGRANGV-RHSMWYFYSA-N 1 2 450.561 1.773 20 0 JDADLO COc1cc([C@@H](C)NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)ccc1S(C)(=O)=O ZINC001472401649 1069005785 /nfs/dbraw/zinc/00/57/85/1069005785.db2.gz TYSITVGXGRANGV-RHSMWYFYSA-N 1 2 450.561 1.773 20 0 JDADLO COc1cc([C@@H](C)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)ccc1S(C)(=O)=O ZINC001472401646 1069005911 /nfs/dbraw/zinc/00/59/11/1069005911.db2.gz TYSITVGXGRANGV-PBHICJAKSA-N 1 2 450.561 1.773 20 0 JDADLO COc1cc([C@@H](C)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)ccc1S(C)(=O)=O ZINC001472401646 1069005922 /nfs/dbraw/zinc/00/59/22/1069005922.db2.gz TYSITVGXGRANGV-PBHICJAKSA-N 1 2 450.561 1.773 20 0 JDADLO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001499469626 1069006646 /nfs/dbraw/zinc/00/66/46/1069006646.db2.gz OTENCGQGFZVMSE-QRVBRYPASA-N 1 2 487.692 1.458 20 0 JDADLO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001499469626 1069006656 /nfs/dbraw/zinc/00/66/56/1069006656.db2.gz OTENCGQGFZVMSE-QRVBRYPASA-N 1 2 487.692 1.458 20 0 JDADLO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001499469903 1069006961 /nfs/dbraw/zinc/00/69/61/1069006961.db2.gz PSIRAQCNAXZBRY-GUDVDZBRSA-N 1 2 487.692 1.458 20 0 JDADLO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001499469903 1069006975 /nfs/dbraw/zinc/00/69/75/1069006975.db2.gz PSIRAQCNAXZBRY-GUDVDZBRSA-N 1 2 487.692 1.458 20 0 JDADLO Cc1nc2ccccc2n1CCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001472488388 1069015232 /nfs/dbraw/zinc/01/52/32/1069015232.db2.gz LLRVXMQNOSOTRC-UHFFFAOYSA-N 1 2 456.572 1.398 20 0 JDADLO CCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001499561574 1069015441 /nfs/dbraw/zinc/01/54/41/1069015441.db2.gz OJZVKHXPVRPGIK-QGZVFWFLSA-N 1 2 477.635 1.795 20 0 JDADLO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@@H+]1CCOC ZINC001499640567 1069022063 /nfs/dbraw/zinc/02/20/63/1069022063.db2.gz UZBMGLFGBMCDKN-IBGZPJMESA-N 1 2 496.678 1.419 20 0 JDADLO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@H+]1CCOC ZINC001499640567 1069022075 /nfs/dbraw/zinc/02/20/75/1069022075.db2.gz UZBMGLFGBMCDKN-IBGZPJMESA-N 1 2 496.678 1.419 20 0 JDADLO COC(=O)NC1CN(C(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)C1 ZINC001472548305 1069029968 /nfs/dbraw/zinc/02/99/68/1069029968.db2.gz YBXZSIIAWRKFTG-IBGZPJMESA-N 1 2 457.531 1.934 20 0 JDADLO CC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC001499658075 1069030438 /nfs/dbraw/zinc/03/04/38/1069030438.db2.gz CDRYDLWZZCKBMB-WMZOPIPTSA-N 1 2 459.576 1.738 20 0 JDADLO COc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC001472612066 1069039279 /nfs/dbraw/zinc/03/92/79/1069039279.db2.gz JILBNPGHOZBHQL-UHFFFAOYSA-N 1 2 453.572 1.809 20 0 JDADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)CC[N@@H+]1CCOC ZINC001499727725 1069059798 /nfs/dbraw/zinc/05/97/98/1069059798.db2.gz HTNHFBNSJYRXBD-SJORKVTESA-N 1 2 457.666 1.623 20 0 JDADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)CC[N@H+]1CCOC ZINC001499727725 1069059803 /nfs/dbraw/zinc/05/98/03/1069059803.db2.gz HTNHFBNSJYRXBD-SJORKVTESA-N 1 2 457.666 1.623 20 0 JDADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC001499728131 1069060735 /nfs/dbraw/zinc/06/07/35/1069060735.db2.gz KXQMRAJEUIXKOY-RTWAWAEBSA-N 1 2 491.658 1.979 20 0 JDADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2)CC[N@H+]1CCOC ZINC001499728131 1069060742 /nfs/dbraw/zinc/06/07/42/1069060742.db2.gz KXQMRAJEUIXKOY-RTWAWAEBSA-N 1 2 491.658 1.979 20 0 JDADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(N(C)C)c2)CC[N@@H+]1CCOC ZINC001499730043 1069065274 /nfs/dbraw/zinc/06/52/74/1069065274.db2.gz XZIVCQGEVIMSTD-LEWJYISDSA-N 1 2 490.674 1.842 20 0 JDADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(N(C)C)c2)CC[N@H+]1CCOC ZINC001499730043 1069065282 /nfs/dbraw/zinc/06/52/82/1069065282.db2.gz XZIVCQGEVIMSTD-LEWJYISDSA-N 1 2 490.674 1.842 20 0 JDADLO CC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(C)[nH+]2)C[C@H](C)O1 ZINC001499748430 1069069668 /nfs/dbraw/zinc/06/96/68/1069069668.db2.gz KNRUGQGTYALEIQ-CEWLAPEOSA-N 1 2 492.646 1.951 20 0 JDADLO COCC(=O)NC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC001473105601 1069071267 /nfs/dbraw/zinc/07/12/67/1069071267.db2.gz BHJWDBJSTBGAFB-UHFFFAOYSA-N 1 2 458.481 1.708 20 0 JDADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC001473105010 1069071342 /nfs/dbraw/zinc/07/13/42/1069071342.db2.gz FUSGEBSZZXUAPP-IEZWGBDMSA-N 1 2 450.967 1.284 20 0 JDADLO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[S@@](=O)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001499766572 1069078783 /nfs/dbraw/zinc/07/87/83/1069078783.db2.gz UZFFCCIZTBHXSC-NVDIGUCNSA-N 1 2 466.677 1.949 20 0 JDADLO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[S@](=O)CC)C[C@H]1[NH+]1CCOCC1 ZINC001499766573 1069078854 /nfs/dbraw/zinc/07/88/54/1069078854.db2.gz UZFFCCIZTBHXSC-PACVJBRTSA-N 1 2 466.677 1.949 20 0 JDADLO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[S@](=O)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001499766574 1069078905 /nfs/dbraw/zinc/07/89/05/1069078905.db2.gz UZFFCCIZTBHXSC-RLTDBJFPSA-N 1 2 466.677 1.949 20 0 JDADLO COc1ccccc1C[NH+]1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC001473146693 1069081559 /nfs/dbraw/zinc/08/15/59/1069081559.db2.gz LVDZUWKFMIYZBZ-KRWDZBQOSA-N 1 2 458.584 1.438 20 0 JDADLO CCN(C(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001473151584 1069082510 /nfs/dbraw/zinc/08/25/10/1069082510.db2.gz OQPNORDGKGVJTM-QGZVFWFLSA-N 1 2 457.531 1.160 20 0 JDADLO CCN(C(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001473151584 1069082513 /nfs/dbraw/zinc/08/25/13/1069082513.db2.gz OQPNORDGKGVJTM-QGZVFWFLSA-N 1 2 457.531 1.160 20 0 JDADLO CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001499779971 1069084157 /nfs/dbraw/zinc/08/41/57/1069084157.db2.gz VGFGCZIXSFFCGB-GOSISDBHSA-N 1 2 475.619 1.049 20 0 JDADLO CCCN(C(=O)C[N@H+](C)Cc1cnn(CC)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001473170692 1069087698 /nfs/dbraw/zinc/08/76/98/1069087698.db2.gz OGEMGIFXVLTRPQ-UHFFFAOYSA-N 1 2 453.547 1.671 20 0 JDADLO CCCN(C(=O)C[N@@H+](C)Cc1cnn(CC)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001473170692 1069087703 /nfs/dbraw/zinc/08/77/03/1069087703.db2.gz OGEMGIFXVLTRPQ-UHFFFAOYSA-N 1 2 453.547 1.671 20 0 JDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C[C@H](C)O1 ZINC001473169237 1069087756 /nfs/dbraw/zinc/08/77/56/1069087756.db2.gz VXBWIVMYMITNNZ-DLBZAZTESA-N 1 2 455.577 1.036 20 0 JDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C[C@H](C)O1 ZINC001473169237 1069087758 /nfs/dbraw/zinc/08/77/58/1069087758.db2.gz VXBWIVMYMITNNZ-DLBZAZTESA-N 1 2 455.577 1.036 20 0 JDADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001473184607 1069090564 /nfs/dbraw/zinc/09/05/64/1069090564.db2.gz LBOAKYZUYJIWCZ-QKLQHJQFSA-N 1 2 458.584 1.794 20 0 JDADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001473184607 1069090569 /nfs/dbraw/zinc/09/05/69/1069090569.db2.gz LBOAKYZUYJIWCZ-QKLQHJQFSA-N 1 2 458.584 1.794 20 0 JDADLO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC001473209828 1069095528 /nfs/dbraw/zinc/09/55/28/1069095528.db2.gz IYESZTMXYJGHJW-GFCCVEGCSA-N 1 2 453.952 1.069 20 0 JDADLO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC001473209828 1069095538 /nfs/dbraw/zinc/09/55/38/1069095538.db2.gz IYESZTMXYJGHJW-GFCCVEGCSA-N 1 2 453.952 1.069 20 0 JDADLO CN(C(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001473214769 1069096291 /nfs/dbraw/zinc/09/62/91/1069096291.db2.gz CLEHULRSVWKXTF-FDDCHVKYSA-N 1 2 451.995 1.762 20 0 JDADLO CN(C(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001473214769 1069096303 /nfs/dbraw/zinc/09/63/03/1069096303.db2.gz CLEHULRSVWKXTF-FDDCHVKYSA-N 1 2 451.995 1.762 20 0 JDADLO CS(=O)(=O)N(CC[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)Cc1ccccc1 ZINC001473232383 1069102159 /nfs/dbraw/zinc/10/21/59/1069102159.db2.gz GCYHMHUVLGQBER-UHFFFAOYSA-N 1 2 455.584 1.915 20 0 JDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC001473243251 1069105210 /nfs/dbraw/zinc/10/52/10/1069105210.db2.gz ZBJAPZZDAQDWCQ-FKIZINRSSA-N 1 2 450.948 1.255 20 0 JDADLO CC(C)CN(C(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001473252479 1069106920 /nfs/dbraw/zinc/10/69/20/1069106920.db2.gz ZAYQAIMZIQPNRA-IBGZPJMESA-N 1 2 457.575 1.768 20 0 JDADLO CC(C)CN(C(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001473252479 1069106931 /nfs/dbraw/zinc/10/69/31/1069106931.db2.gz ZAYQAIMZIQPNRA-IBGZPJMESA-N 1 2 457.575 1.768 20 0 JDADLO 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CCc1ccc([C@H](COC)[NH2+]CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)o1 ZINC001473367646 1069131532 /nfs/dbraw/zinc/13/15/32/1069131532.db2.gz ZASWIOWLLSXDCE-SFHVURJKSA-N 1 2 453.536 1.791 20 0 JDADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001499933298 1069133081 /nfs/dbraw/zinc/13/30/81/1069133081.db2.gz QKECHNPJRYZBFH-YADHBBJMSA-N 1 2 486.665 1.993 20 0 JDADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001499933298 1069133096 /nfs/dbraw/zinc/13/30/96/1069133096.db2.gz QKECHNPJRYZBFH-YADHBBJMSA-N 1 2 486.665 1.993 20 0 JDADLO CCC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001499937404 1069134539 /nfs/dbraw/zinc/13/45/39/1069134539.db2.gz FRBGJRVACGWOIG-JOCHJYFZSA-N 1 2 465.620 1.668 20 0 JDADLO COCCN(C(=O)C[NH+]1CCC(F)(F)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001473418639 1069144184 /nfs/dbraw/zinc/14/41/84/1069144184.db2.gz KWWDPCZECUFFDV-UHFFFAOYSA-N 1 2 451.474 1.290 20 0 JDADLO 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Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC001474810469 1069264002 /nfs/dbraw/zinc/26/40/02/1069264002.db2.gz ZGTSQDMQBOAGCQ-UHFFFAOYSA-N 1 2 451.350 1.778 20 0 JDADLO CCCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001500580953 1069283808 /nfs/dbraw/zinc/28/38/08/1069283808.db2.gz AMFBWMQAARRERK-UHFFFAOYSA-N 1 2 496.660 1.561 20 0 JDADLO O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC001474882660 1069295542 /nfs/dbraw/zinc/29/55/42/1069295542.db2.gz SLGKIFRWKVOCML-UHFFFAOYSA-N 1 2 451.589 1.218 20 0 JDADLO CCn1c2ccc(S(=O)(=O)N3CC[NH+](CCCOCC(F)(F)F)CC3)cc2oc1=O ZINC001474882393 1069295980 /nfs/dbraw/zinc/29/59/80/1069295980.db2.gz PAGUFOUINQEGDZ-UHFFFAOYSA-N 1 2 451.467 1.890 20 0 JDADLO CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001500685686 1069296802 /nfs/dbraw/zinc/29/68/02/1069296802.db2.gz QFQYZCVEWJEYOL-IAGOWNOFSA-N 1 2 451.597 1.540 20 0 JDADLO O=C(CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC001474896569 1069299173 /nfs/dbraw/zinc/29/91/73/1069299173.db2.gz DJYAHMVTZHTTFG-UHFFFAOYSA-N 1 2 458.462 1.839 20 0 JDADLO O=C(CCNS(=O)(=O)Cc1ccc(-n2cccn2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC001474897459 1069300035 /nfs/dbraw/zinc/30/00/35/1069300035.db2.gz YFLDUZHTNVAABG-UHFFFAOYSA-N 1 2 454.556 1.426 20 0 JDADLO COC(=O)c1cc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC001474896911 1069300236 /nfs/dbraw/zinc/30/02/36/1069300236.db2.gz NKQZZAUTNBPNLO-UHFFFAOYSA-N 1 2 450.492 1.025 20 0 JDADLO CCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001500761585 1069307734 /nfs/dbraw/zinc/30/77/34/1069307734.db2.gz ZBTZTDLNDKOFAL-LJQANCHMSA-N 1 2 493.634 1.127 20 0 JDADLO CSC1(Cn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)CCOCC1 ZINC001505196048 1072413143 /nfs/dbraw/zinc/41/31/43/1072413143.db2.gz QWCWUCXEUBMSSF-UHFFFAOYSA-N 1 2 452.625 1.081 20 0 JDADLO CSC[C@H]1CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505224381 1072426425 /nfs/dbraw/zinc/42/64/25/1072426425.db2.gz OOKJIMDSEJPAEM-OFNKIYASSA-N 1 2 480.679 1.815 20 0 JDADLO CSCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001505255068 1072434850 /nfs/dbraw/zinc/43/48/50/1072434850.db2.gz QMAMXXUGMJJXRG-MSOLQXFVSA-N 1 2 497.691 1.883 20 0 JDADLO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001505285858 1072462992 /nfs/dbraw/zinc/46/29/92/1072462992.db2.gz BPFKSMQPJZZYPI-RBUKOAKNSA-N 1 2 494.662 1.888 20 0 JDADLO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001505285858 1072462997 /nfs/dbraw/zinc/46/29/97/1072462997.db2.gz BPFKSMQPJZZYPI-RBUKOAKNSA-N 1 2 494.662 1.888 20 0 JDADLO O=S1(=O)CC[C@H](c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001505379237 1072587161 /nfs/dbraw/zinc/58/71/61/1072587161.db2.gz DKXDSVNICXJTJO-INIZCTEOSA-N 1 2 494.559 1.465 20 0 JDADLO O=S1(=O)CC[C@H](c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001505379237 1072587171 /nfs/dbraw/zinc/58/71/71/1072587171.db2.gz DKXDSVNICXJTJO-INIZCTEOSA-N 1 2 494.559 1.465 20 0 JDADLO O=S1(=O)CC[C@@H](c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2Cc2ccco2)C1 ZINC001505380085 1072588330 /nfs/dbraw/zinc/58/83/30/1072588330.db2.gz JLZSNKZVVQDDNW-MRXNPFEDSA-N 1 2 491.536 1.913 20 0 JDADLO O=S1(=O)CC[C@@H](c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCCC(F)(F)F)C1 ZINC001505381168 1072589527 /nfs/dbraw/zinc/58/95/27/1072589527.db2.gz OLLCCAGAHFHQRE-JKSUJKDBSA-N 1 2 465.542 1.681 20 0 JDADLO CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001508170870 1072935469 /nfs/dbraw/zinc/93/54/69/1072935469.db2.gz JPBBTTISMBVLPG-UHFFFAOYSA-N 1 2 452.563 1.754 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001508218399 1072981413 /nfs/dbraw/zinc/98/14/13/1072981413.db2.gz CKDGWJPRZHNPHC-KRWDZBQOSA-N 1 2 486.602 1.181 20 0 JDADLO CC(=O)N1CCCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001508232841 1072998419 /nfs/dbraw/zinc/99/84/19/1072998419.db2.gz PSMFEINGZZJGPW-SFHVURJKSA-N 1 2 460.554 1.776 20 0 JDADLO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCS(=O)(=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001508232747 1072999126 /nfs/dbraw/zinc/99/91/26/1072999126.db2.gz MYCGRGGJUSTBRU-YLJYHZDGSA-N 1 2 480.679 1.748 20 0 JDADLO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCS(=O)(=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001508232747 1072999131 /nfs/dbraw/zinc/99/91/31/1072999131.db2.gz MYCGRGGJUSTBRU-YLJYHZDGSA-N 1 2 480.679 1.748 20 0 JDADLO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C4CC4)n3CCS(=O)(=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001508232745 1072999213 /nfs/dbraw/zinc/99/92/13/1072999213.db2.gz MYCGRGGJUSTBRU-XLIONFOSSA-N 1 2 480.679 1.748 20 0 JDADLO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C4CC4)n3CCS(=O)(=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001508232745 1072999223 /nfs/dbraw/zinc/99/92/23/1072999223.db2.gz MYCGRGGJUSTBRU-XLIONFOSSA-N 1 2 480.679 1.748 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)[C@H](C)C1 ZINC001508232967 1072999727 /nfs/dbraw/zinc/99/97/27/1072999727.db2.gz AOSQRORKKBJSAL-SJORKVTESA-N 1 2 486.602 1.179 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)[C@H](C)C1 ZINC001508232964 1072999787 /nfs/dbraw/zinc/99/97/87/1072999787.db2.gz AOSQRORKKBJSAL-IAGOWNOFSA-N 1 2 486.602 1.179 20 0 JDADLO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC3(CS(C)(=O)=O)CC3)C[C@H]2C)CC1 ZINC001508234728 1073005178 /nfs/dbraw/zinc/00/51/78/1073005178.db2.gz VNBBEPGEJAOJAJ-UYAOXDASSA-N 1 2 480.679 1.605 20 0 JDADLO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC3(CS(C)(=O)=O)CC3)C[C@H]2C)CC1 ZINC001508234728 1073005187 /nfs/dbraw/zinc/00/51/87/1073005187.db2.gz VNBBEPGEJAOJAJ-UYAOXDASSA-N 1 2 480.679 1.605 20 0 JDADLO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccnc4)n3CC[S@](=O)C(C)(C)C)C[C@@H]2C)CC1 ZINC001508270879 1073038337 /nfs/dbraw/zinc/03/83/37/1073038337.db2.gz LVWMPEANRXANIQ-GZDKDZDRSA-N 1 2 487.674 1.876 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001508271095 1073038885 /nfs/dbraw/zinc/03/88/85/1073038885.db2.gz AGAQKEDXYSPDHT-KRWDZBQOSA-N 1 2 489.646 1.437 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3CCN([C@@H](C)C(F)(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001508271529 1073039103 /nfs/dbraw/zinc/03/91/03/1073039103.db2.gz DFNCTYPLHHJGBQ-INIZCTEOSA-N 1 2 459.561 1.813 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001508271641 1073039413 /nfs/dbraw/zinc/03/94/13/1073039413.db2.gz DPNZXVYKRVAUGU-WIYYLYMNSA-N 1 2 488.555 1.823 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001508272206 1073040213 /nfs/dbraw/zinc/04/02/13/1073040213.db2.gz FUVLAUUIPPMSIF-UHFFFAOYSA-N 1 2 497.644 1.634 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001508272485 1073040622 /nfs/dbraw/zinc/04/06/22/1073040622.db2.gz IKDXRDNGGISZAZ-UHFFFAOYSA-N 1 2 494.648 1.854 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3CCC(C(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001508273746 1073042262 /nfs/dbraw/zinc/04/22/62/1073042262.db2.gz NLZDNORLUCYZQH-UHFFFAOYSA-N 1 2 473.666 1.969 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001508273939 1073042278 /nfs/dbraw/zinc/04/22/78/1073042278.db2.gz OAMCFXRWTUOZFQ-UHFFFAOYSA-N 1 2 497.644 1.730 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001508274077 1073043189 /nfs/dbraw/zinc/04/31/89/1073043189.db2.gz OGXAXNDVYSBXGT-UHFFFAOYSA-N 1 2 495.550 1.547 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001508274630 1073043785 /nfs/dbraw/zinc/04/37/85/1073043785.db2.gz ROYPQKBEHOUINS-NRFANRHFSA-N 1 2 497.644 1.695 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001508275234 1073045654 /nfs/dbraw/zinc/04/56/54/1073045654.db2.gz ULMBJIADXIGFST-HXUWFJFHSA-N 1 2 477.610 1.208 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3CCN(Cc4cccc(F)c4)C(=O)C3)nnc2C(C)(C)C)CC1 ZINC001508275952 1073046970 /nfs/dbraw/zinc/04/69/70/1073046970.db2.gz YDBOBPCRTSUBGP-UHFFFAOYSA-N 1 2 485.608 1.728 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001508277286 1073049948 /nfs/dbraw/zinc/04/99/48/1073049948.db2.gz GQKJYLHFQDNABG-UHFFFAOYSA-N 1 2 498.632 1.485 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CC1 ZINC001508277007 1073050050 /nfs/dbraw/zinc/05/00/50/1073050050.db2.gz DPXAYNKJHXZPOG-JOCHJYFZSA-N 1 2 482.633 1.169 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001508277853 1073051796 /nfs/dbraw/zinc/05/17/96/1073051796.db2.gz HLLKIRPTZUDWKQ-OAQYLSRUSA-N 1 2 475.638 1.379 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001508277878 1073052343 /nfs/dbraw/zinc/05/23/43/1073052343.db2.gz IGUJVXOHUFUPQI-UHFFFAOYSA-N 1 2 461.636 1.303 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001508278259 1073053169 /nfs/dbraw/zinc/05/31/69/1073053169.db2.gz GPCDVWJIESOVEO-UHFFFAOYSA-N 1 2 471.606 1.705 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001508278467 1073054425 /nfs/dbraw/zinc/05/44/25/1073054425.db2.gz LPAMFUPXFOBILU-UHFFFAOYSA-N 1 2 450.628 1.866 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001508278479 1073054493 /nfs/dbraw/zinc/05/44/93/1073054493.db2.gz MCZZLFMLTKKQBV-UHFFFAOYSA-N 1 2 476.585 1.163 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001508278499 1073054989 /nfs/dbraw/zinc/05/49/89/1073054989.db2.gz MPYNVLKNCFXBMJ-UHFFFAOYSA-N 1 2 459.639 1.622 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001508278547 1073055274 /nfs/dbraw/zinc/05/52/74/1073055274.db2.gz NFSLZHJLYQDZOU-OAQYLSRUSA-N 1 2 498.632 1.531 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001508279032 1073056348 /nfs/dbraw/zinc/05/63/48/1073056348.db2.gz NZVQSRYQEQSEGP-HXUWFJFHSA-N 1 2 482.633 1.121 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001508279368 1073056798 /nfs/dbraw/zinc/05/67/98/1073056798.db2.gz OXAFZNOBCVSAPF-IBGZPJMESA-N 1 2 461.517 1.308 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCOCc2ccccc2)CC1 ZINC001508279859 1073058604 /nfs/dbraw/zinc/05/86/04/1073058604.db2.gz QVVLGQKDFGHZMK-NRFANRHFSA-N 1 2 469.590 1.046 20 0 JDADLO CC(=O)Nc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001508286384 1073063836 /nfs/dbraw/zinc/06/38/36/1073063836.db2.gz WQEXYKDYAOAPCQ-UHFFFAOYSA-N 1 2 478.557 1.701 20 0 JDADLO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001508325615 1073082777 /nfs/dbraw/zinc/08/27/77/1073082777.db2.gz RGPKIMZEKRWSBM-NRFANRHFSA-N 1 2 471.581 1.277 20 0 JDADLO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001508325819 1073083457 /nfs/dbraw/zinc/08/34/57/1073083457.db2.gz GZYDYIDHQVJRDP-FQEVSTJZSA-N 1 2 484.605 1.387 20 0 JDADLO CC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001508326212 1073083884 /nfs/dbraw/zinc/08/38/84/1073083884.db2.gz BQFBOPNBLRTEDH-FPOVZHCZSA-N 1 2 456.591 1.991 20 0 JDADLO CC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001508326209 1073084126 /nfs/dbraw/zinc/08/41/26/1073084126.db2.gz BQFBOPNBLRTEDH-CTNGQTDRSA-N 1 2 456.591 1.991 20 0 JDADLO CC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001508327983 1073085697 /nfs/dbraw/zinc/08/56/97/1073085697.db2.gz YZPUCKCEPAMHOW-FPOVZHCZSA-N 1 2 456.591 1.725 20 0 JDADLO CC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001508327983 1073085710 /nfs/dbraw/zinc/08/57/10/1073085710.db2.gz YZPUCKCEPAMHOW-FPOVZHCZSA-N 1 2 456.591 1.725 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001508348309 1073108020 /nfs/dbraw/zinc/10/80/20/1073108020.db2.gz ZCYNXCYJZKREOH-IBGZPJMESA-N 1 2 484.605 1.389 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001508348309 1073108032 /nfs/dbraw/zinc/10/80/32/1073108032.db2.gz ZCYNXCYJZKREOH-IBGZPJMESA-N 1 2 484.605 1.389 20 0 JDADLO CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001508354233 1073117793 /nfs/dbraw/zinc/11/77/93/1073117793.db2.gz FTESOWMKKKXHRY-UHFFFAOYSA-N 1 2 452.563 1.659 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC001508372025 1073145779 /nfs/dbraw/zinc/14/57/79/1073145779.db2.gz BXQOJRRQAHPHEL-YADHBBJMSA-N 1 2 456.591 1.644 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC001508372025 1073145783 /nfs/dbraw/zinc/14/57/83/1073145783.db2.gz BXQOJRRQAHPHEL-YADHBBJMSA-N 1 2 456.591 1.644 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC001508372350 1073146506 /nfs/dbraw/zinc/14/65/06/1073146506.db2.gz UIPPPOGTOBRSLQ-FGZHOGPDSA-N 1 2 456.591 1.816 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC001508372352 1073146573 /nfs/dbraw/zinc/14/65/73/1073146573.db2.gz UIPPPOGTOBRSLQ-VXKWHMMOSA-N 1 2 456.591 1.816 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001508380991 1073174999 /nfs/dbraw/zinc/17/49/99/1073174999.db2.gz FWILKWOYRXUSOB-TZIWHRDSSA-N 1 2 488.658 1.941 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001508383953 1073185575 /nfs/dbraw/zinc/18/55/75/1073185575.db2.gz VLHRNZOMGPDGRA-IBGZPJMESA-N 1 2 470.603 1.872 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001508386719 1073192659 /nfs/dbraw/zinc/19/26/59/1073192659.db2.gz WGOCSFRVFODENW-SIKLNZKXSA-N 1 2 472.590 1.228 20 0 JDADLO CC(=O)NCCCn1c(CC2CCCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508397551 1073208655 /nfs/dbraw/zinc/20/86/55/1073208655.db2.gz FUNJRNIWQVTFQL-LJQANCHMSA-N 1 2 459.639 1.670 20 0 JDADLO CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001508399068 1073209790 /nfs/dbraw/zinc/20/97/90/1073209790.db2.gz UKSAHQHBJUUXTE-HSZRJFAPSA-N 1 2 484.649 1.021 20 0 JDADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001508407969 1073216574 /nfs/dbraw/zinc/21/65/74/1073216574.db2.gz IYTFNYHWLDMLHD-XLIONFOSSA-N 1 2 462.620 1.707 20 0 JDADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001508407969 1073216588 /nfs/dbraw/zinc/21/65/88/1073216588.db2.gz IYTFNYHWLDMLHD-XLIONFOSSA-N 1 2 462.620 1.707 20 0 JDADLO CC(=O)NCCCn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001508409122 1073217318 /nfs/dbraw/zinc/21/73/18/1073217318.db2.gz SNGYNGXLSXTLMW-XMMPIXPASA-N 1 2 471.606 1.869 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)F)CC1 ZINC001508429860 1073224680 /nfs/dbraw/zinc/22/46/80/1073224680.db2.gz BPHOMKCKGBIVGH-DLBZAZTESA-N 1 2 456.538 1.197 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)F)CC1 ZINC001508429864 1073224827 /nfs/dbraw/zinc/22/48/27/1073224827.db2.gz BPHOMKCKGBIVGH-IAGOWNOFSA-N 1 2 456.538 1.197 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCCOC(F)F)CC1 ZINC001508432680 1073229193 /nfs/dbraw/zinc/22/91/93/1073229193.db2.gz JEPPDBMWVCCQMN-KRWDZBQOSA-N 1 2 483.564 1.163 20 0 JDADLO CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508432798 1073229542 /nfs/dbraw/zinc/22/95/42/1073229542.db2.gz JXVUBCNKSPCEGU-NTKDMRAZSA-N 1 2 455.607 1.880 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)C)CC1 ZINC001508433535 1073231160 /nfs/dbraw/zinc/23/11/60/1073231160.db2.gz NMUJXHBIQJPHPE-QGZVFWFLSA-N 1 2 474.009 1.820 20 0 JDADLO CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508434011 1073232678 /nfs/dbraw/zinc/23/26/78/1073232678.db2.gz QROBLQNDCBNNOO-JXALWOEJSA-N 1 2 462.639 1.712 20 0 JDADLO CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508434015 1073232871 /nfs/dbraw/zinc/23/28/71/1073232871.db2.gz QROBLQNDCBNNOO-REHUZNOOSA-N 1 2 462.639 1.712 20 0 JDADLO CC(C)(C)C(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001508436550 1073235499 /nfs/dbraw/zinc/23/54/99/1073235499.db2.gz HPWPILPECCALOH-UHFFFAOYSA-N 1 2 498.632 1.731 20 0 JDADLO CC(C)(C)C(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001508436550 1073235500 /nfs/dbraw/zinc/23/55/00/1073235500.db2.gz HPWPILPECCALOH-UHFFFAOYSA-N 1 2 498.632 1.731 20 0 JDADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CC=CCC1 ZINC001508440407 1073243000 /nfs/dbraw/zinc/24/30/00/1073243000.db2.gz DUQMBOOHZNJQKH-HOTGVXAUSA-N 1 2 464.592 1.526 20 0 JDADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CC=CCC1 ZINC001508440407 1073243008 /nfs/dbraw/zinc/24/30/08/1073243008.db2.gz DUQMBOOHZNJQKH-HOTGVXAUSA-N 1 2 464.592 1.526 20 0 JDADLO C[C@H]([C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CC=CCC1)S(C)(=O)=O ZINC001508440417 1073243060 /nfs/dbraw/zinc/24/30/60/1073243060.db2.gz DUQMBOOHZNJQKH-JKSUJKDBSA-N 1 2 464.592 1.526 20 0 JDADLO C[C@H]([C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CC=CCC1)S(C)(=O)=O ZINC001508440417 1073243063 /nfs/dbraw/zinc/24/30/63/1073243063.db2.gz DUQMBOOHZNJQKH-JKSUJKDBSA-N 1 2 464.592 1.526 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001508442342 1073246624 /nfs/dbraw/zinc/24/66/24/1073246624.db2.gz NSWOBAGQEMMAKX-FGTMMUONSA-N 1 2 475.681 1.314 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508443265 1073247561 /nfs/dbraw/zinc/24/75/61/1073247561.db2.gz PQBZVYINZQPZFH-IAGOWNOFSA-N 1 2 462.620 1.768 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001508445886 1073251330 /nfs/dbraw/zinc/25/13/30/1073251330.db2.gz JLFHXXRCCKMTNG-ZIFCJYIRSA-N 1 2 489.646 1.921 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001508445878 1073251389 /nfs/dbraw/zinc/25/13/89/1073251389.db2.gz JLFHXXRCCKMTNG-AOIWGVFYSA-N 1 2 489.646 1.921 20 0 JDADLO CC(C)(C)NC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001508628417 1073292629 /nfs/dbraw/zinc/29/26/29/1073292629.db2.gz BQIWVURPCGJYII-GOSISDBHSA-N 1 2 463.627 1.871 20 0 JDADLO CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001508705788 1073345524 /nfs/dbraw/zinc/34/55/24/1073345524.db2.gz XBKLRZBNZLBUJJ-OAHLLOKOSA-N 1 2 460.501 1.392 20 0 JDADLO CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1)[NH+]1CCOCC1 ZINC001508713369 1073349191 /nfs/dbraw/zinc/34/91/91/1073349191.db2.gz IYINTPLDBGWYIH-IBGZPJMESA-N 1 2 484.667 1.492 20 0 JDADLO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001508768301 1073362012 /nfs/dbraw/zinc/36/20/12/1073362012.db2.gz JYXQEVTYLBLWNY-FQEVSTJZSA-N 1 2 455.607 1.679 20 0 JDADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001508783496 1073375140 /nfs/dbraw/zinc/37/51/40/1073375140.db2.gz XWKUWFCGYOJOLQ-PZJWPPBQSA-N 1 2 455.607 1.726 20 0 JDADLO CC(C)C(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001508792265 1073378522 /nfs/dbraw/zinc/37/85/22/1073378522.db2.gz GLGWXIBPUBSYGI-INIZCTEOSA-N 1 2 492.650 1.074 20 0 JDADLO CC(C)C(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001508792269 1073378700 /nfs/dbraw/zinc/37/87/00/1073378700.db2.gz GLGWXIBPUBSYGI-MRXNPFEDSA-N 1 2 492.650 1.074 20 0 JDADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001508794757 1073381858 /nfs/dbraw/zinc/38/18/58/1073381858.db2.gz NLDFQELKHNCENR-RBBKRZOGSA-N 1 2 469.634 1.973 20 0 JDADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001508794757 1073381864 /nfs/dbraw/zinc/38/18/64/1073381864.db2.gz NLDFQELKHNCENR-RBBKRZOGSA-N 1 2 469.634 1.973 20 0 JDADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001508794763 1073381909 /nfs/dbraw/zinc/38/19/09/1073381909.db2.gz NLDFQELKHNCENR-UNMCSNQZSA-N 1 2 469.634 1.973 20 0 JDADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001508794763 1073381913 /nfs/dbraw/zinc/38/19/13/1073381913.db2.gz NLDFQELKHNCENR-UNMCSNQZSA-N 1 2 469.634 1.973 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001508809375 1073389253 /nfs/dbraw/zinc/38/92/53/1073389253.db2.gz BMAFGYPSHJMUSN-NQIIRXRSSA-N 1 2 472.590 1.720 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001508810967 1073390569 /nfs/dbraw/zinc/39/05/69/1073390569.db2.gz JHKOYSHQPSSEAO-WMZHIEFXSA-N 1 2 480.679 1.936 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCO2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001508813663 1073392924 /nfs/dbraw/zinc/39/29/24/1073392924.db2.gz IFFCJDWQLLDIIG-GCJKJVERSA-N 1 2 466.652 1.546 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCO2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001508813669 1073392954 /nfs/dbraw/zinc/39/29/54/1073392954.db2.gz IFFCJDWQLLDIIG-XMSQKQJNSA-N 1 2 466.652 1.546 20 0 JDADLO CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508826019 1073402030 /nfs/dbraw/zinc/40/20/30/1073402030.db2.gz PMBHFRMVIBWXPT-UXHICEINSA-N 1 2 475.638 1.425 20 0 JDADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC001508854012 1073418203 /nfs/dbraw/zinc/41/82/03/1073418203.db2.gz LACHRSRFZBZQSE-OAQYLSRUSA-N 1 2 489.665 1.566 20 0 JDADLO CC(C)c1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001508939374 1073449427 /nfs/dbraw/zinc/44/94/27/1073449427.db2.gz MLCYNYDQBPLLPY-SFHVURJKSA-N 1 2 475.638 1.063 20 0 JDADLO CC(C)c1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001508974136 1073458314 /nfs/dbraw/zinc/45/83/14/1073458314.db2.gz CISPGOVUGKHNJH-ICSRJNTNSA-N 1 2 468.668 1.953 20 0 JDADLO CC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001509000682 1073470678 /nfs/dbraw/zinc/47/06/78/1073470678.db2.gz DIACEBDNIBBGOO-FQEVSTJZSA-N 1 2 455.607 1.883 20 0 JDADLO CC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001509000682 1073470687 /nfs/dbraw/zinc/47/06/87/1073470687.db2.gz DIACEBDNIBBGOO-FQEVSTJZSA-N 1 2 455.607 1.883 20 0 JDADLO CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1([S@](C)=O)CC1 ZINC001509013721 1073476458 /nfs/dbraw/zinc/47/64/58/1073476458.db2.gz SUWZPXAOIIJJPF-WHUARKNTSA-N 1 2 461.632 1.875 20 0 JDADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC(=O)NC(C)(C)C ZINC001509013438 1073476530 /nfs/dbraw/zinc/47/65/30/1073476530.db2.gz LLMWPAONWVFLNZ-HXUWFJFHSA-N 1 2 463.671 1.938 20 0 JDADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(C(N)=O)c1 ZINC001509014083 1073477467 /nfs/dbraw/zinc/47/74/67/1073477467.db2.gz OFQJLQOOLDZVOH-JOCHJYFZSA-N 1 2 469.634 1.780 20 0 JDADLO CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001509174670 1073517952 /nfs/dbraw/zinc/51/79/52/1073517952.db2.gz MXGVPORJZQGXAV-UHFFFAOYSA-N 1 2 491.662 1.522 20 0 JDADLO CC(C)Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CCCNc1cccc[nH+]1 ZINC001509206329 1073529163 /nfs/dbraw/zinc/52/91/63/1073529163.db2.gz IXARYGWKXBCIHA-QGZVFWFLSA-N 1 2 452.567 1.906 20 0 JDADLO CC(C)Cc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CCCNc1cccc[nH+]1 ZINC001509206327 1073529242 /nfs/dbraw/zinc/52/92/42/1073529242.db2.gz IXARYGWKXBCIHA-KRWDZBQOSA-N 1 2 452.567 1.906 20 0 JDADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001509208737 1073532348 /nfs/dbraw/zinc/53/23/48/1073532348.db2.gz UFVHBUUUNYYQRK-LJQANCHMSA-N 1 2 456.591 1.865 20 0 JDADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCNC(=O)c1ccco1 ZINC001509210453 1073533267 /nfs/dbraw/zinc/53/32/67/1073533267.db2.gz WYCLAYRDUAHTFQ-LJQANCHMSA-N 1 2 471.606 1.633 20 0 JDADLO CC(C)Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001509219642 1073539105 /nfs/dbraw/zinc/53/91/05/1073539105.db2.gz UKBIFUDYVXPRTR-ZLNRFVROSA-N 1 2 489.709 1.824 20 0 JDADLO CC(C)CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC001509306473 1073561037 /nfs/dbraw/zinc/56/10/37/1073561037.db2.gz KHBXTAPNOUQHMP-HXUWFJFHSA-N 1 2 498.694 1.737 20 0 JDADLO CC(C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001509355257 1073569214 /nfs/dbraw/zinc/56/92/14/1073569214.db2.gz RHHDKDYUYCECIT-IRXDYDNUSA-N 1 2 465.624 1.649 20 0 JDADLO CC(C)CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C)C(C)C ZINC001509375454 1073571684 /nfs/dbraw/zinc/57/16/84/1073571684.db2.gz VBUOYNOBLBLOIG-LJQANCHMSA-N 1 2 486.683 1.593 20 0 JDADLO CC(C)CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C)C(C)C ZINC001509375454 1073571699 /nfs/dbraw/zinc/57/16/99/1073571699.db2.gz VBUOYNOBLBLOIG-LJQANCHMSA-N 1 2 486.683 1.593 20 0 JDADLO CC(C)CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C)C(C)C ZINC001509375451 1073571803 /nfs/dbraw/zinc/57/18/03/1073571803.db2.gz VBUOYNOBLBLOIG-IBGZPJMESA-N 1 2 486.683 1.593 20 0 JDADLO CC(C)CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C)C(C)C ZINC001509375451 1073571821 /nfs/dbraw/zinc/57/18/21/1073571821.db2.gz VBUOYNOBLBLOIG-IBGZPJMESA-N 1 2 486.683 1.593 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC001509402310 1073576416 /nfs/dbraw/zinc/57/64/16/1073576416.db2.gz GUBKOLUKLLPCAL-HXUWFJFHSA-N 1 2 498.632 1.587 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001509404728 1073581828 /nfs/dbraw/zinc/58/18/28/1073581828.db2.gz MBVIMFUSNDHRBD-JOCHJYFZSA-N 1 2 469.652 1.674 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001509409865 1073589223 /nfs/dbraw/zinc/58/92/23/1073589223.db2.gz PXKGUBCKPQTDOA-UHFFFAOYSA-N 1 2 454.641 1.505 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001509436162 1073618019 /nfs/dbraw/zinc/61/80/19/1073618019.db2.gz PWQJAVNGAZFCBR-ROUUACIJSA-N 1 2 483.038 1.974 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001509436162 1073618031 /nfs/dbraw/zinc/61/80/31/1073618031.db2.gz PWQJAVNGAZFCBR-ROUUACIJSA-N 1 2 483.038 1.974 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001509443373 1073626499 /nfs/dbraw/zinc/62/64/99/1073626499.db2.gz NXEWKUZICSOCQP-QUCCMNQESA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001509443373 1073626508 /nfs/dbraw/zinc/62/65/08/1073626508.db2.gz NXEWKUZICSOCQP-QUCCMNQESA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509443399 1073626586 /nfs/dbraw/zinc/62/65/86/1073626586.db2.gz OBMPCVSBYKDITR-RTBURBONSA-N 1 2 467.661 1.911 20 0 JDADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509443399 1073626597 /nfs/dbraw/zinc/62/65/97/1073626597.db2.gz OBMPCVSBYKDITR-RTBURBONSA-N 1 2 467.661 1.911 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001509446993 1073631353 /nfs/dbraw/zinc/63/13/53/1073631353.db2.gz XXZRIOYEYJEOBC-SFHVURJKSA-N 1 2 463.608 1.105 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001509446993 1073631357 /nfs/dbraw/zinc/63/13/57/1073631357.db2.gz XXZRIOYEYJEOBC-SFHVURJKSA-N 1 2 463.608 1.105 20 0 JDADLO CC(C)CO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001509459250 1073637979 /nfs/dbraw/zinc/63/79/79/1073637979.db2.gz OQIWQPDZSWADFQ-FQEVSTJZSA-N 1 2 471.606 1.948 20 0 JDADLO CC(C)CSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001509494335 1073650798 /nfs/dbraw/zinc/65/07/98/1073650798.db2.gz ZYHGNCYKWSAWFY-RTBURBONSA-N 1 2 477.679 1.751 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CC1 ZINC001509570334 1073689686 /nfs/dbraw/zinc/68/96/86/1073689686.db2.gz RAHPBKSGFLBOMI-IBGZPJMESA-N 1 2 460.604 1.624 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001509572602 1073690516 /nfs/dbraw/zinc/69/05/16/1073690516.db2.gz XFOSXBZVOPULRN-OALUTQOASA-N 1 2 455.625 1.154 20 0 JDADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(-c4cnccn4)n3C[C@@](C)(O)C(C)C)CC2)C1 ZINC001509579800 1073700716 /nfs/dbraw/zinc/70/07/16/1073700716.db2.gz LIEQPOJGPRSYGO-GBXCKJPGSA-N 1 2 472.638 1.373 20 0 JDADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3Cc3cnnn3C)CC2)C1 ZINC001509580005 1073701757 /nfs/dbraw/zinc/70/17/57/1073701757.db2.gz MYUKXRRMFQBBPO-FQEVSTJZSA-N 1 2 459.643 1.275 20 0 JDADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3Cc3cnnn3C)CC2)C1 ZINC001509580008 1073701952 /nfs/dbraw/zinc/70/19/52/1073701952.db2.gz MYUKXRRMFQBBPO-HXUWFJFHSA-N 1 2 459.643 1.275 20 0 JDADLO CC(C)N1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCOCCCO)C2)CC1 ZINC001509581484 1073703300 /nfs/dbraw/zinc/70/33/00/1073703300.db2.gz LHXQZWMUJAKMDY-FQEVSTJZSA-N 1 2 478.041 1.997 20 0 JDADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCNC(=O)C(C)(C)C)CC2)C1 ZINC001509581312 1073703379 /nfs/dbraw/zinc/70/33/79/1073703379.db2.gz TVEGGLSPPIOKIC-FQEVSTJZSA-N 1 2 477.698 1.969 20 0 JDADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc(C3CCC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001509582849 1073708853 /nfs/dbraw/zinc/70/88/53/1073708853.db2.gz OWRSFWHDDVIILY-UHFFFAOYSA-N 1 2 454.579 1.228 20 0 JDADLO CC(C)N1CC[NH+]([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCNC(=O)C(C)(C)C)C2)CC1 ZINC001509582981 1073709319 /nfs/dbraw/zinc/70/93/19/1073709319.db2.gz XMQIQWOGMDCEHK-LJQANCHMSA-N 1 2 469.638 1.502 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC[S@](=O)C(C)(C)C ZINC001509586272 1073716041 /nfs/dbraw/zinc/71/60/41/1073716041.db2.gz BNBAAGAJYGHBOX-YTTGMZPUSA-N 1 2 470.684 1.758 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCCn1cnc2ccccc21 ZINC001509606353 1073730543 /nfs/dbraw/zinc/73/05/43/1073730543.db2.gz HMZFSXNHARBQEG-UHFFFAOYSA-N 1 2 454.579 1.625 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001509613428 1073737500 /nfs/dbraw/zinc/73/75/00/1073737500.db2.gz RZLXVFVFPCNCRU-SFHVURJKSA-N 1 2 468.606 1.907 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@]5(CCOC5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164389990 718807381 /nfs/dbraw/zinc/80/73/81/718807381.db2.gz NASFHWRUHZXEIC-QHCPKHFHSA-N 1 2 458.632 1.892 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4nc3N3CCOCC3)CC2)C1=O ZINC001164633826 719273868 /nfs/dbraw/zinc/27/38/68/719273868.db2.gz IHPSUKHWHAIDEH-UHFFFAOYSA-N 1 2 454.575 1.226 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4nc3N3CCOCC3)CC2)C1=O ZINC001164633826 719273873 /nfs/dbraw/zinc/27/38/73/719273873.db2.gz IHPSUKHWHAIDEH-UHFFFAOYSA-N 1 2 454.575 1.226 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4cc(C)sc4c(N4CCOCC4)n3)CC2)C1=O ZINC001164642230 719276767 /nfs/dbraw/zinc/27/67/67/719276767.db2.gz YZZMCQYRWQSRMZ-UHFFFAOYSA-N 1 2 474.631 1.596 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4cc(C)sc4c(N4CCOCC4)n3)CC2)C1=O ZINC001164642230 719276771 /nfs/dbraw/zinc/27/67/71/719276771.db2.gz YZZMCQYRWQSRMZ-UHFFFAOYSA-N 1 2 474.631 1.596 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3S(=O)(=O)N3CCCCC3)CC2)C1=O ZINC001164644724 719282498 /nfs/dbraw/zinc/28/24/98/719282498.db2.gz SJNNDFKFNGZMHC-UHFFFAOYSA-N 1 2 465.620 1.016 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3S(=O)(=O)N3CCCCC3)CC2)C1=O ZINC001164644724 719282503 /nfs/dbraw/zinc/28/25/03/719282503.db2.gz SJNNDFKFNGZMHC-UHFFFAOYSA-N 1 2 465.620 1.016 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4cc(OC)ccc4OC)nn3)CC2)C1=O ZINC001164644109 719282620 /nfs/dbraw/zinc/28/26/20/719282620.db2.gz DBJSISGESZRSFV-UHFFFAOYSA-N 1 2 455.559 1.920 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4cc(OC)ccc4OC)nn3)CC2)C1=O ZINC001164644109 719282624 /nfs/dbraw/zinc/28/26/24/719282624.db2.gz DBJSISGESZRSFV-UHFFFAOYSA-N 1 2 455.559 1.920 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccsc2c(N2CCOCC2)n1 ZINC001164701913 719844165 /nfs/dbraw/zinc/84/41/65/719844165.db2.gz MVYMUAROYGIQKS-OPAMFIHVSA-N 1 2 461.588 1.761 20 0 JDADLO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706954 719859829 /nfs/dbraw/zinc/85/98/29/719859829.db2.gz ZSVSOWYEXQMCDV-SPLOXXLWSA-N 1 2 480.953 1.276 20 0 JDADLO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)[nH]1 ZINC001164706427 719860002 /nfs/dbraw/zinc/86/00/02/719860002.db2.gz XOVJHRBCCVDQNO-ODXCJYRJSA-N 1 2 451.911 1.631 20 0 JDADLO COC(=O)C1CCN(c2ccnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)n2)CC1 ZINC001164697803 719862096 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COCCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164825111 720384446 /nfs/dbraw/zinc/38/44/46/720384446.db2.gz UCXCTKSMFOSHQZ-UHFFFAOYSA-N 1 2 473.599 1.963 20 0 JDADLO COCCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164825111 720384452 /nfs/dbraw/zinc/38/44/52/720384452.db2.gz UCXCTKSMFOSHQZ-UHFFFAOYSA-N 1 2 473.599 1.963 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001164823064 720429515 /nfs/dbraw/zinc/42/95/15/720429515.db2.gz HJWDLQSVZMNGBN-IBGZPJMESA-N 1 2 454.575 1.504 20 0 JDADLO CCOC(=O)c1cnc(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164827291 720430307 /nfs/dbraw/zinc/43/03/07/720430307.db2.gz SJXFYHXTVKSJPJ-OAHLLOKOSA-N 1 2 464.954 1.493 20 0 JDADLO COC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823728 720430339 /nfs/dbraw/zinc/43/03/39/720430339.db2.gz JJKXKIMPTHEHQI-AWEZNQCLSA-N 1 2 450.927 1.103 20 0 JDADLO CCOC(=O)/C=C\c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164823028 720431994 /nfs/dbraw/zinc/43/19/94/720431994.db2.gz GXPCTIPAPAPBES-HCZHMGAMSA-N 1 2 455.559 1.844 20 0 JDADLO COC(=O)c1cnc(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826449 720432380 /nfs/dbraw/zinc/43/23/80/720432380.db2.gz QKGSOJQWUOXTRY-CQSZACIVSA-N 1 2 450.927 1.103 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc4c(cc31)OCCO4)C2 ZINC001164825751 720438618 /nfs/dbraw/zinc/43/86/18/720438618.db2.gz UTQAPNJFQLWNDY-QGZVFWFLSA-N 1 2 466.542 1.587 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164825358 720453040 /nfs/dbraw/zinc/45/30/40/720453040.db2.gz RNLQXERINYXGFP-IBGZPJMESA-N 1 2 456.591 1.796 20 0 JDADLO CON(C)C(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828705 720455506 /nfs/dbraw/zinc/45/55/06/720455506.db2.gz ABANHSXBGPHDGB-QGZVFWFLSA-N 1 2 478.981 1.555 20 0 JDADLO CCOc1ccc(C(=O)OC)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830608 720457135 /nfs/dbraw/zinc/45/71/35/720457135.db2.gz KINWWTPHAHOOJM-KRWDZBQOSA-N 1 2 459.547 1.453 20 0 JDADLO COC(=O)c1cc2ccncc2nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831751 720457820 /nfs/dbraw/zinc/45/78/20/720457820.db2.gz PKEICIGSRWUJEH-GOSISDBHSA-N 1 2 466.542 1.603 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164830602 720458614 /nfs/dbraw/zinc/45/86/14/720458614.db2.gz KFQFZFGIXIQNAR-KRWDZBQOSA-N 1 2 458.563 1.618 20 0 JDADLO COC(=O)C1CCN(c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)CC1 ZINC001164829234 720460878 /nfs/dbraw/zinc/46/08/78/720460878.db2.gz DRKXYDINENVHLY-HXUWFJFHSA-N 1 2 499.616 1.052 20 0 JDADLO COC(=O)C1CCN(c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)CC1 ZINC001164829233 720460964 /nfs/dbraw/zinc/46/09/64/720460964.db2.gz DRKXYDINENVHLY-FQEVSTJZSA-N 1 2 499.616 1.052 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1S(=O)(=O)N1CCCC1)C2 ZINC001164829610 720462812 /nfs/dbraw/zinc/46/28/12/720462812.db2.gz GIRYLFGPDTYBSO-IBGZPJMESA-N 1 2 490.630 1.052 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164833128 720463387 /nfs/dbraw/zinc/46/33/87/720463387.db2.gz YTVWUIUYPXDKSR-LJQANCHMSA-N 1 2 456.591 1.796 20 0 JDADLO CSc1nc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2s1 ZINC001164830783 720464122 /nfs/dbraw/zinc/46/41/22/720464122.db2.gz MALWXWHAEOZOOZ-AWEZNQCLSA-N 1 2 461.617 1.994 20 0 JDADLO COC(=O)/C=C/c1cc2cc[nH]c2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164832641 720464960 /nfs/dbraw/zinc/46/49/60/720464960.db2.gz UQZNEZFHYMQDFP-RTLBZRNLSA-N 1 2 480.569 1.935 20 0 JDADLO COC(=O)CSc1cccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831734 720466867 /nfs/dbraw/zinc/46/68/67/720466867.db2.gz PCTWOEZJCIMHLW-QGZVFWFLSA-N 1 2 461.588 1.533 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001164831768 720467711 /nfs/dbraw/zinc/46/77/11/720467711.db2.gz QADNSQBFEBHLHX-CQSZACIVSA-N 1 2 484.935 1.565 20 0 JDADLO CCOC(=O)c1ncnc(Cl)c1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833045 720467885 /nfs/dbraw/zinc/46/78/85/720467885.db2.gz XGAYFZPFCBGKTP-HNNXBMFYSA-N 1 2 464.954 1.493 20 0 JDADLO CCOC(=O)c1ncnc(Cl)c1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833046 720468116 /nfs/dbraw/zinc/46/81/16/720468116.db2.gz XGAYFZPFCBGKTP-OAHLLOKOSA-N 1 2 464.954 1.493 20 0 JDADLO Cc1nc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1C ZINC001164830285 720469276 /nfs/dbraw/zinc/46/92/76/720469276.db2.gz KDTXCUFFSZSEFM-OAHLLOKOSA-N 1 2 460.970 1.511 20 0 JDADLO Cc1cc(NC(=O)c2cccnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)no1 ZINC001164828878 720469858 /nfs/dbraw/zinc/46/98/58/720469858.db2.gz BPQZCPSVGKIBHB-SFHVURJKSA-N 1 2 481.557 1.816 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(S(=O)(=O)N3CCCC3)cn1)C2 ZINC001164832310 720471612 /nfs/dbraw/zinc/47/16/12/720471612.db2.gz TWUPPCOHIBVXAR-LJQANCHMSA-N 1 2 490.630 1.052 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832252 720471694 /nfs/dbraw/zinc/47/16/94/720471694.db2.gz RVSCIHALPPYYEN-LJQANCHMSA-N 1 2 492.646 1.298 20 0 JDADLO CN(C)C(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164829171 720472773 /nfs/dbraw/zinc/47/27/73/720472773.db2.gz DAGFNGQJTWSBDL-QGZVFWFLSA-N 1 2 462.982 1.623 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc(-c3cccc(F)c3)n1)C2 ZINC001164829858 720474140 /nfs/dbraw/zinc/47/41/40/720474140.db2.gz HKEOSSLAIFMVBN-GOSISDBHSA-N 1 2 453.522 1.864 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc(-c3cccc(F)c3)n1)C2 ZINC001164829860 720474169 /nfs/dbraw/zinc/47/41/69/720474169.db2.gz HKEOSSLAIFMVBN-SFHVURJKSA-N 1 2 453.522 1.864 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)NC3CCCC3)nn1)C2 ZINC001164830718 720475421 /nfs/dbraw/zinc/47/54/21/720475421.db2.gz LHFHFUKPONICGU-GOSISDBHSA-N 1 2 469.590 1.335 20 0 JDADLO CCOC(=O)c1cnc(CC)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164832781 720478611 /nfs/dbraw/zinc/47/86/11/720478611.db2.gz KUXBOIRCWVBCAN-KRWDZBQOSA-N 1 2 458.563 1.402 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)C2 ZINC001164830424 720482063 /nfs/dbraw/zinc/48/20/63/720482063.db2.gz BOBCFXZHSWXPOE-SJORKVTESA-N 1 2 478.981 1.484 20 0 JDADLO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164832866 720482549 /nfs/dbraw/zinc/48/25/49/720482549.db2.gz LTAZXWGYFYJWSM-JKSUJKDBSA-N 1 2 478.981 1.593 20 0 JDADLO CCNC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831458 720484114 /nfs/dbraw/zinc/48/41/14/720484114.db2.gz GAOQELQHBZWXHC-OAHLLOKOSA-N 1 2 463.970 1.066 20 0 JDADLO O=C(c1cccnc1N1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164764593 721262975 /nfs/dbraw/zinc/26/29/75/721262975.db2.gz HMFIXDWOJVLIIG-ZEQRLZLVSA-N 1 2 485.592 1.924 20 0 JDADLO COCCN1C[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1=O ZINC001164905439 721574413 /nfs/dbraw/zinc/57/44/13/721574413.db2.gz ZMMVZJZFUCJEAB-FYYLOGMGSA-N 1 2 463.582 1.581 20 0 JDADLO COCCN1C[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1=O ZINC001164905444 721574427 /nfs/dbraw/zinc/57/44/27/721574427.db2.gz ZMMVZJZFUCJEAB-GMAHTHKFSA-N 1 2 463.582 1.581 20 0 JDADLO Cn1cc(C(=O)N[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)[C@H]3CCCO[C@@H]23)cn1 ZINC001165014512 721755331 /nfs/dbraw/zinc/75/53/31/721755331.db2.gz ZPLVBDARXQNCCJ-SGNDLWITSA-N 1 2 473.581 1.935 20 0 JDADLO Cn1cc(C(=O)N[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)[C@H]3CCCO[C@@H]23)cn1 ZINC001165014512 721755332 /nfs/dbraw/zinc/75/53/32/721755332.db2.gz ZPLVBDARXQNCCJ-SGNDLWITSA-N 1 2 473.581 1.935 20 0 JDADLO COC(=O)c1ccc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1Cl ZINC001165014770 721765527 /nfs/dbraw/zinc/76/55/27/721765527.db2.gz IRJXIKMFAIOZRP-UHFFFAOYSA-N 1 2 493.902 1.989 20 0 JDADLO Cc1cc(Cl)nc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)n1 ZINC001165016288 721765583 /nfs/dbraw/zinc/76/55/83/721765583.db2.gz VRHWOLBZFYWUEU-UHFFFAOYSA-N 1 2 450.881 1.906 20 0 JDADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001165015429 721765831 /nfs/dbraw/zinc/76/58/31/721765831.db2.gz QKGYNHAMYQLKJH-UHFFFAOYSA-N 1 2 493.902 1.989 20 0 JDADLO Cc1cc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)c(Cl)nn1 ZINC001165015963 721765885 /nfs/dbraw/zinc/76/58/85/721765885.db2.gz UFQUWCKEFJPRNL-UHFFFAOYSA-N 1 2 450.881 1.906 20 0 JDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001165013954 721766152 /nfs/dbraw/zinc/76/61/52/721766152.db2.gz BNWANAHIUCSMTC-UHFFFAOYSA-N 1 2 450.881 1.785 20 0 JDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001165015371 721766279 /nfs/dbraw/zinc/76/62/79/721766279.db2.gz PCBKVKFFACVFEN-UHFFFAOYSA-N 1 2 478.891 1.302 20 0 JDADLO O=C1NCCc2[nH]c(-c3ccnc(N4CCO[C@@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c3)cc21 ZINC001164915197 721780642 /nfs/dbraw/zinc/78/06/42/721780642.db2.gz JZJVTQBOVMNHRJ-SANMLTNESA-N 1 2 474.565 1.865 20 0 JDADLO O=C1NCCc2[nH]c(-c3ccnc(N4CCO[C@@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c3)cc21 ZINC001164915197 721780643 /nfs/dbraw/zinc/78/06/43/721780643.db2.gz JZJVTQBOVMNHRJ-SANMLTNESA-N 1 2 474.565 1.865 20 0 JDADLO Clc1ncc(N2CCOCC2)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917047 721784295 /nfs/dbraw/zinc/78/42/95/721784295.db2.gz WFKRVVBJQODEMP-QFIPXVFZSA-N 1 2 460.966 1.469 20 0 JDADLO Clc1ncc(N2CCOCC2)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917047 721784298 /nfs/dbraw/zinc/78/42/98/721784298.db2.gz WFKRVVBJQODEMP-QFIPXVFZSA-N 1 2 460.966 1.469 20 0 JDADLO NC(=O)c1nc(Cl)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914900 721786187 /nfs/dbraw/zinc/78/61/87/721786187.db2.gz HJFDCDFSLSWYJH-IBGZPJMESA-N 1 2 453.330 1.385 20 0 JDADLO NC(=O)c1nc(Cl)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914900 721786189 /nfs/dbraw/zinc/78/61/89/721786189.db2.gz HJFDCDFSLSWYJH-IBGZPJMESA-N 1 2 453.330 1.385 20 0 JDADLO COC(=O)C1CCN(c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164914079 721788744 /nfs/dbraw/zinc/78/87/44/721788744.db2.gz BCAUQWLHQKICPK-VWLOTQADSA-N 1 2 482.585 1.369 20 0 JDADLO COC(=O)C1CCN(c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164914079 721788748 /nfs/dbraw/zinc/78/87/48/721788748.db2.gz BCAUQWLHQKICPK-VWLOTQADSA-N 1 2 482.585 1.369 20 0 JDADLO CCOC(=O)C1CCN(c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164914928 721788943 /nfs/dbraw/zinc/78/89/43/721788943.db2.gz IGMTYMLDCJIGDZ-AREMUKBSSA-N 1 2 496.612 1.759 20 0 JDADLO CCOC(=O)C1CCN(c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164914928 721788948 /nfs/dbraw/zinc/78/89/48/721788948.db2.gz IGMTYMLDCJIGDZ-AREMUKBSSA-N 1 2 496.612 1.759 20 0 JDADLO O=S(=O)(c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1)N1CCCCC1 ZINC001164913680 721794243 /nfs/dbraw/zinc/79/42/43/721794243.db2.gz FTSAZRCHIACATN-DEOSSOPVSA-N 1 2 487.626 1.759 20 0 JDADLO O=S(=O)(c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1)N1CCCCC1 ZINC001164913680 721794244 /nfs/dbraw/zinc/79/42/44/721794244.db2.gz FTSAZRCHIACATN-DEOSSOPVSA-N 1 2 487.626 1.759 20 0 JDADLO O=S(=O)(c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1)N1CCCC1 ZINC001164914220 721794435 /nfs/dbraw/zinc/79/44/35/721794435.db2.gz KVJAZAKVCPANJW-QHCPKHFHSA-N 1 2 473.599 1.369 20 0 JDADLO O=S(=O)(c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1)N1CCCC1 ZINC001164914220 721794437 /nfs/dbraw/zinc/79/44/37/721794437.db2.gz KVJAZAKVCPANJW-QHCPKHFHSA-N 1 2 473.599 1.369 20 0 JDADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)C1 ZINC001164914697 721794522 /nfs/dbraw/zinc/79/45/22/721794522.db2.gz QIKLQTLFLHELTH-BKMJKUGQSA-N 1 2 496.612 1.759 20 0 JDADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)C1 ZINC001164914697 721794526 /nfs/dbraw/zinc/79/45/26/721794526.db2.gz QIKLQTLFLHELTH-BKMJKUGQSA-N 1 2 496.612 1.759 20 0 JDADLO CC1(C)NC(=O)N(Cc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)C1=O ZINC001164915754 721795393 /nfs/dbraw/zinc/79/53/93/721795393.db2.gz ZIOWZIHFJGUKDF-RUZDIDTESA-N 1 2 480.569 1.415 20 0 JDADLO CC1(C)NC(=O)N(Cc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)C1=O ZINC001164915754 721795398 /nfs/dbraw/zinc/79/53/98/721795398.db2.gz ZIOWZIHFJGUKDF-RUZDIDTESA-N 1 2 480.569 1.415 20 0 JDADLO O=C(NC1CCCC1)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164913425 721797875 /nfs/dbraw/zinc/79/78/75/721797875.db2.gz CWZPDPSFTAGOAD-XMMPIXPASA-N 1 2 452.559 1.652 20 0 JDADLO O=C(NC1CCCC1)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164913425 721797879 /nfs/dbraw/zinc/79/78/79/721797879.db2.gz CWZPDPSFTAGOAD-XMMPIXPASA-N 1 2 452.559 1.652 20 0 JDADLO 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CCc1ccccc1NC(=O)CN1CCN(c2nnc(C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001546276189 1069538199 /nfs/dbraw/zinc/53/81/99/1069538199.db2.gz ZWLMGSLYVSDAHB-UHFFFAOYSA-N 1 2 482.633 1.074 20 0 JDADLO CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001501471905 1069539659 /nfs/dbraw/zinc/53/96/59/1069539659.db2.gz SGUPEOKNRIOQPM-IAGOWNOFSA-N 1 2 472.562 1.648 20 0 JDADLO CCN(c1nnc(C(C)(C)C)n1Cc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001501513553 1069546769 /nfs/dbraw/zinc/54/67/69/1069546769.db2.gz IOIVHYZVQIFAEM-GOSISDBHSA-N 1 2 462.620 1.869 20 0 JDADLO CCN(c1nnc(C(C)(C)C)n1Cc1ccc[nH+]c1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001501513554 1069546787 /nfs/dbraw/zinc/54/67/87/1069546787.db2.gz IOIVHYZVQIFAEM-SFHVURJKSA-N 1 2 462.620 1.869 20 0 JDADLO CCN(c1nnc(-c2ccccn2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001501575435 1069555320 /nfs/dbraw/zinc/55/53/20/1069555320.db2.gz KKDUISGPYBIDRY-GBESFXJTSA-N 1 2 462.620 1.853 20 0 JDADLO COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)cc1 ZINC001475844563 1069561941 /nfs/dbraw/zinc/56/19/41/1069561941.db2.gz KLSRONFEXBVLKS-NRFANRHFSA-N 1 2 454.527 1.920 20 0 JDADLO COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)cc1 ZINC001475844563 1069561947 /nfs/dbraw/zinc/56/19/47/1069561947.db2.gz KLSRONFEXBVLKS-NRFANRHFSA-N 1 2 454.527 1.920 20 0 JDADLO CCS(=O)(=O)N1CCC(CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC001475852485 1069563806 /nfs/dbraw/zinc/56/38/06/1069563806.db2.gz YDWURTFBOAENJC-UHFFFAOYSA-N 1 2 451.593 1.257 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NCc2c[nH+]cn2C)c1 ZINC001475917672 1069575855 /nfs/dbraw/zinc/57/58/55/1069575855.db2.gz OJVIMEPGKWPSJS-UHFFFAOYSA-N 1 2 450.565 1.609 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC001475923519 1069577862 /nfs/dbraw/zinc/57/78/62/1069577862.db2.gz HSOKWJDXNPQSFO-UHFFFAOYSA-N 1 2 456.565 1.296 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC001475923519 1069577875 /nfs/dbraw/zinc/57/78/75/1069577875.db2.gz HSOKWJDXNPQSFO-UHFFFAOYSA-N 1 2 456.565 1.296 20 0 JDADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001475983582 1069583805 /nfs/dbraw/zinc/58/38/05/1069583805.db2.gz QEUWGWPMSGOOHE-ROUUACIJSA-N 1 2 452.621 1.926 20 0 JDADLO CCS(=O)(=O)Nc1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1OC ZINC001476019606 1069588710 /nfs/dbraw/zinc/58/87/10/1069588710.db2.gz FJUKMGVYMKMPJX-UHFFFAOYSA-N 1 2 452.537 1.630 20 0 JDADLO CCN(C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC1)S(C)(=O)=O ZINC001501690400 1069593692 /nfs/dbraw/zinc/59/36/92/1069593692.db2.gz XQUBZMCZZUBASG-LJQANCHMSA-N 1 2 477.635 1.889 20 0 JDADLO CCN(CC)C(=O)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001501745568 1069601800 /nfs/dbraw/zinc/60/18/00/1069601800.db2.gz BRIUYCDFMLLMDM-UHFFFAOYSA-N 1 2 471.610 1.490 20 0 JDADLO COCCCS(=O)(=O)N1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC001476134182 1069611950 /nfs/dbraw/zinc/61/19/50/1069611950.db2.gz KRPXDIHZORBRKE-UHFFFAOYSA-N 1 2 451.549 1.478 20 0 JDADLO COCCCS(=O)(=O)N1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC001476137849 1069612957 /nfs/dbraw/zinc/61/29/57/1069612957.db2.gz BLFFIDXZBMXQGX-SFHVURJKSA-N 1 2 454.593 1.596 20 0 JDADLO COCCCS(=O)(=O)N1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC001476137848 1069613375 /nfs/dbraw/zinc/61/33/75/1069613375.db2.gz BLFFIDXZBMXQGX-GOSISDBHSA-N 1 2 454.593 1.596 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC001476184680 1069633625 /nfs/dbraw/zinc/63/36/25/1069633625.db2.gz BQVOVLAACQOFMK-UHFFFAOYSA-N 1 2 456.609 1.884 20 0 JDADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC001476235288 1069656241 /nfs/dbraw/zinc/65/62/41/1069656241.db2.gz KALFPMCEYZQVRP-QRVBRYPASA-N 1 2 455.563 1.825 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccco2)CC1 ZINC001501780330 1069665184 /nfs/dbraw/zinc/66/51/84/1069665184.db2.gz IYOJHTDPXFYCCJ-UHFFFAOYSA-N 1 2 483.573 1.860 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501781205 1069667720 /nfs/dbraw/zinc/66/77/20/1069667720.db2.gz ZVHFPWHQHJWPAJ-QGZVFWFLSA-N 1 2 474.997 1.263 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(C)c2)CC1 ZINC001501781128 1069668482 /nfs/dbraw/zinc/66/84/82/1069668482.db2.gz XMIIXEUGROXQAX-UHFFFAOYSA-N 1 2 496.616 1.735 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001501782860 1069669416 /nfs/dbraw/zinc/66/94/16/1069669416.db2.gz CUYORDAGSKYFHR-UHFFFAOYSA-N 1 2 492.588 1.264 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001501783336 1069670914 /nfs/dbraw/zinc/67/09/14/1069670914.db2.gz JJNJLQLEBMYHJX-LJQANCHMSA-N 1 2 468.606 1.245 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001501783494 1069673615 /nfs/dbraw/zinc/67/36/15/1069673615.db2.gz LMDXAWLXROQKGW-LJQANCHMSA-N 1 2 458.611 1.787 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCCCO2)CC1 ZINC001501783548 1069675301 /nfs/dbraw/zinc/67/53/01/1069675301.db2.gz NFFDMBNIGLTUAH-HXUWFJFHSA-N 1 2 458.611 1.628 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C)cs2)CC1 ZINC001501783759 1069676646 /nfs/dbraw/zinc/67/66/46/1069676646.db2.gz PNEVSDVWVLWTDX-UHFFFAOYSA-N 1 2 457.608 1.482 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001501784291 1069680853 /nfs/dbraw/zinc/68/08/53/1069680853.db2.gz ZVWPXVFKWFSSES-LJQANCHMSA-N 1 2 458.611 1.484 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc(C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC001501789196 1069700875 /nfs/dbraw/zinc/70/08/75/1069700875.db2.gz ITKJWWUAMFAACF-SFHVURJKSA-N 1 2 456.595 1.839 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001501791304 1069709512 /nfs/dbraw/zinc/70/95/12/1069709512.db2.gz GIEHODQYSRWKHG-PMACEKPBSA-N 1 2 463.627 1.477 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501791572 1069711412 /nfs/dbraw/zinc/71/14/12/1069711412.db2.gz OFZWXIYUKUECMJ-NRFANRHFSA-N 1 2 490.653 1.268 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001501792397 1069714993 /nfs/dbraw/zinc/71/49/93/1069714993.db2.gz PISGQWKAXOOSSK-FQEVSTJZSA-N 1 2 470.622 1.568 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001501792397 1069715027 /nfs/dbraw/zinc/71/50/27/1069715027.db2.gz PISGQWKAXOOSSK-FQEVSTJZSA-N 1 2 470.622 1.568 20 0 JDADLO CC[NH+](CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC001501827352 1069738931 /nfs/dbraw/zinc/73/89/31/1069738931.db2.gz RCNNESNUZUWORR-ROUUACIJSA-N 1 2 478.619 1.700 20 0 JDADLO 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COc1ccccc1C[NH+]1CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC001476573580 1069745534 /nfs/dbraw/zinc/74/55/34/1069745534.db2.gz QQDREWXQAKNWMM-MRXNPFEDSA-N 1 2 452.499 1.345 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(C(N)=O)C2)c[nH+]1 ZINC001501847754 1069747950 /nfs/dbraw/zinc/74/79/50/1069747950.db2.gz WPFXZQVQIUROLL-WXVUKLJWSA-N 1 2 471.606 1.993 20 0 JDADLO COc1ccc(NS(C)(=O)=O)cc1NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001476629105 1069756803 /nfs/dbraw/zinc/75/68/03/1069756803.db2.gz IGJPGYZELZKGAP-UHFFFAOYSA-N 1 2 456.565 1.994 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3nc4cc(S(N)(=O)=O)ccc4o3)C2)cc1 ZINC001477218487 1069805424 /nfs/dbraw/zinc/80/54/24/1069805424.db2.gz QJJTYXNTFLZWHB-MRXNPFEDSA-N 1 2 459.528 1.806 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3nc4cc(S(N)(=O)=O)ccc4o3)C2)cc1 ZINC001477218487 1069805426 /nfs/dbraw/zinc/80/54/26/1069805426.db2.gz QJJTYXNTFLZWHB-MRXNPFEDSA-N 1 2 459.528 1.806 20 0 JDADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001477240588 1069806401 /nfs/dbraw/zinc/80/64/01/1069806401.db2.gz FAEKNURXTFSYLD-KKIUXKEOSA-N 1 2 451.589 1.373 20 0 JDADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001477240588 1069806403 /nfs/dbraw/zinc/80/64/03/1069806403.db2.gz FAEKNURXTFSYLD-KKIUXKEOSA-N 1 2 451.589 1.373 20 0 JDADLO CCOc1ccnc(N2CCCN(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)n1 ZINC001477240534 1069806423 /nfs/dbraw/zinc/80/64/23/1069806423.db2.gz CYAYYZDORLISDY-NRFANRHFSA-N 1 2 454.575 1.998 20 0 JDADLO CCOc1ccnc(N2CCCN(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)n1 ZINC001477240534 1069806426 /nfs/dbraw/zinc/80/64/26/1069806426.db2.gz CYAYYZDORLISDY-NRFANRHFSA-N 1 2 454.575 1.998 20 0 JDADLO CC[C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)CC(F)(F)F ZINC001477275009 1069809545 /nfs/dbraw/zinc/80/95/45/1069809545.db2.gz GZNDBLZLUDITNY-OAHLLOKOSA-N 1 2 451.515 1.811 20 0 JDADLO C[C@@H]1C[C@@H](CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC001477275057 1069809735 /nfs/dbraw/zinc/80/97/35/1069809735.db2.gz ISTPZCZMGXSUOR-REPLKXPHSA-N 1 2 453.609 1.426 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC=C(c2ccncc2)C1 ZINC001477275628 1069810341 /nfs/dbraw/zinc/81/03/41/1069810341.db2.gz VYZSOEHDIJGWSR-UHFFFAOYSA-N 1 2 456.572 1.427 20 0 JDADLO CCc1ccc2c(c1)CN(C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001477275615 1069810497 /nfs/dbraw/zinc/81/04/97/1069810497.db2.gz VOAUPUNHBHLBLD-UHFFFAOYSA-N 1 2 457.600 1.864 20 0 JDADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)cs1 ZINC001477432597 1069823542 /nfs/dbraw/zinc/82/35/42/1069823542.db2.gz RCXWEXVJAVUKRN-UHFFFAOYSA-N 1 2 450.590 1.663 20 0 JDADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001477463545 1069825352 /nfs/dbraw/zinc/82/53/52/1069825352.db2.gz NAMHGBPVPVDNFH-IBGZPJMESA-N 1 2 451.589 1.803 20 0 JDADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001477463545 1069825353 /nfs/dbraw/zinc/82/53/53/1069825353.db2.gz NAMHGBPVPVDNFH-IBGZPJMESA-N 1 2 451.589 1.803 20 0 JDADLO COc1cccc(CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1OC ZINC001477507989 1069827812 /nfs/dbraw/zinc/82/78/12/1069827812.db2.gz ZBOAIWXCKVJQGU-UHFFFAOYSA-N 1 2 456.547 1.405 20 0 JDADLO COc1cccc(CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1OC ZINC001477507989 1069827813 /nfs/dbraw/zinc/82/78/13/1069827813.db2.gz ZBOAIWXCKVJQGU-UHFFFAOYSA-N 1 2 456.547 1.405 20 0 JDADLO COc1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c(OC)c1 ZINC001477518811 1069829877 /nfs/dbraw/zinc/82/98/77/1069829877.db2.gz ROLIFZVINWODER-SFHVURJKSA-N 1 2 456.547 1.799 20 0 JDADLO COc1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(OC)c1 ZINC001477518811 1069829885 /nfs/dbraw/zinc/82/98/85/1069829885.db2.gz ROLIFZVINWODER-SFHVURJKSA-N 1 2 456.547 1.799 20 0 JDADLO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001477621461 1069837787 /nfs/dbraw/zinc/83/77/87/1069837787.db2.gz QFDYORGFCJVVSQ-QHCPKHFHSA-N 1 2 454.571 1.896 20 0 JDADLO C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001477621507 1069837819 /nfs/dbraw/zinc/83/78/19/1069837819.db2.gz RRFZNZOKGNXPRG-FQEVSTJZSA-N 1 2 458.481 1.750 20 0 JDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001477621216 1069837951 /nfs/dbraw/zinc/83/79/51/1069837951.db2.gz KMRPZVZXGNQPGP-VCSGRIEYSA-N 1 2 451.589 1.553 20 0 JDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001477607014 1069836673 /nfs/dbraw/zinc/83/66/73/1069836673.db2.gz PPQBVWNKRDRVBJ-NRFANRHFSA-N 1 2 453.008 1.902 20 0 JDADLO COc1ccc(C[C@](C)(O)CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1OC ZINC001477607566 1069836683 /nfs/dbraw/zinc/83/66/83/1069836683.db2.gz XWMQPURLEGISFK-FCHUYYIVSA-N 1 2 453.605 1.504 20 0 JDADLO COc1ccc(C[C@](C)(O)CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1OC ZINC001477607568 1069837002 /nfs/dbraw/zinc/83/70/02/1069837002.db2.gz XWMQPURLEGISFK-VXKWHMMOSA-N 1 2 453.605 1.504 20 0 JDADLO CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001477621527 1069837663 /nfs/dbraw/zinc/83/76/63/1069837663.db2.gz SBSYOMGKOPJGHA-HXUWFJFHSA-N 1 2 458.481 1.608 20 0 JDADLO O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001477629179 1069839533 /nfs/dbraw/zinc/83/95/33/1069839533.db2.gz AFCRYBIWBMKBHG-UHFFFAOYSA-N 1 2 453.483 1.174 20 0 JDADLO O=C(NC1CCN(CC(F)F)CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477658403 1069841148 /nfs/dbraw/zinc/84/11/48/1069841148.db2.gz UUJFOGRFYOKANH-KRWDZBQOSA-N 1 2 453.538 1.311 20 0 JDADLO O=C(NC1CCN(CC(F)F)CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477658403 1069841154 /nfs/dbraw/zinc/84/11/54/1069841154.db2.gz UUJFOGRFYOKANH-KRWDZBQOSA-N 1 2 453.538 1.311 20 0 JDADLO O=C(NCCCNC(=O)c1cccc(F)c1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477658854 1069841504 /nfs/dbraw/zinc/84/15/04/1069841504.db2.gz DMQCVHLAMCIXTG-UHFFFAOYSA-N 1 2 456.522 1.379 20 0 JDADLO CC(=O)NCCN(Cc1ccsc1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477659700 1069841539 /nfs/dbraw/zinc/84/15/39/1069841539.db2.gz APVIXTFDDDAHRB-UHFFFAOYSA-N 1 2 458.588 1.530 20 0 JDADLO O=C(CCNC(=O)N1CCN(c2c(F)cccc2F)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001477660065 1069841888 /nfs/dbraw/zinc/84/18/88/1069841888.db2.gz HYKZYVKVKJHCAM-UHFFFAOYSA-N 1 2 458.513 1.930 20 0 JDADLO C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001477660947 1069841904 /nfs/dbraw/zinc/84/19/04/1069841904.db2.gz RRIDXCHHIHNKIN-RTBURBONSA-N 1 2 474.606 1.923 20 0 JDADLO COc1ccc(CN(CCCO)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001477659840 1069841932 /nfs/dbraw/zinc/84/19/32/1069841932.db2.gz DGWUXJGVEWCNNP-UHFFFAOYSA-N 1 2 455.559 1.723 20 0 JDADLO CC(C)(C)c1ncc2c(n1)CCN(C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001477660071 1069841958 /nfs/dbraw/zinc/84/19/58/1069841958.db2.gz ICLHJNGMVANBOZ-UHFFFAOYSA-N 1 2 451.575 1.976 20 0 JDADLO O=C(CCNC(=O)N1CCCC[C@H]1COC(=O)NC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001477661155 1069841983 /nfs/dbraw/zinc/84/19/83/1069841983.db2.gz UBEMANASMUYHQM-IBGZPJMESA-N 1 2 458.563 1.573 20 0 JDADLO Cc1nc(CN2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)oc1C ZINC001477660437 1069842023 /nfs/dbraw/zinc/84/20/23/1069842023.db2.gz MWGMAKZJFNKFDE-UHFFFAOYSA-N 1 2 455.563 1.253 20 0 JDADLO Cn1cc([C@@H]2CSCCCN2C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001477660430 1069842054 /nfs/dbraw/zinc/84/20/54/1069842054.db2.gz MOINENHOPNNSRI-IBGZPJMESA-N 1 2 457.604 1.744 20 0 JDADLO CC1(C)C[N@H+](CCNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 ZINC001477689404 1069844845 /nfs/dbraw/zinc/84/48/45/1069844845.db2.gz OHQZGEQHGWHZKW-LJQANCHMSA-N 1 2 450.555 1.253 20 0 JDADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 ZINC001477689404 1069844849 /nfs/dbraw/zinc/84/48/49/1069844849.db2.gz OHQZGEQHGWHZKW-LJQANCHMSA-N 1 2 450.555 1.253 20 0 JDADLO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001477707066 1069845991 /nfs/dbraw/zinc/84/59/91/1069845991.db2.gz NJXNIMNUTPNQOO-MRXNPFEDSA-N 1 2 457.369 1.421 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCC(=O)N3CCc4ccccc43)C2)CC1 ZINC001477715618 1069847537 /nfs/dbraw/zinc/84/75/37/1069847537.db2.gz ZCMMECHUNFBBGD-IBGZPJMESA-N 1 2 457.575 1.912 20 0 JDADLO CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)CCC(F)(F)F ZINC001502196581 1069852350 /nfs/dbraw/zinc/85/23/50/1069852350.db2.gz XAUYFGHOTKRDLC-KXBFYZLASA-N 1 2 492.568 1.519 20 0 JDADLO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)CCC(F)(F)F ZINC001502196581 1069852357 /nfs/dbraw/zinc/85/23/57/1069852357.db2.gz XAUYFGHOTKRDLC-KXBFYZLASA-N 1 2 492.568 1.519 20 0 JDADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC001477783025 1069856739 /nfs/dbraw/zinc/85/67/39/1069856739.db2.gz 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DPEDQZFFLDVYNG-UHFFFAOYSA-N 1 2 458.603 1.840 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC001477756200 1069853935 /nfs/dbraw/zinc/85/39/35/1069853935.db2.gz OCKWCVJYFHCEPG-NRFANRHFSA-N 1 2 459.591 1.069 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N[C@@H](C)c3nccnc3C)cc2)CC1 ZINC001477756178 1069854047 /nfs/dbraw/zinc/85/40/47/1069854047.db2.gz NOCIDPBDZHAKSG-IBGZPJMESA-N 1 2 454.575 1.931 20 0 JDADLO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2OCO[C@H]2C1)CCC(F)(F)F ZINC001502199259 1069854750 /nfs/dbraw/zinc/85/47/50/1069854750.db2.gz HOMVZVJLFNTHEC-KFWWJZLASA-N 1 2 467.514 1.016 20 0 JDADLO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2OCO[C@H]2C1)CCC(F)(F)F ZINC001502199259 1069854751 /nfs/dbraw/zinc/85/47/51/1069854751.db2.gz HOMVZVJLFNTHEC-KFWWJZLASA-N 1 2 467.514 1.016 20 0 JDADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC001477783026 1069856656 /nfs/dbraw/zinc/85/66/56/1069856656.db2.gz 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1069962168 /nfs/dbraw/zinc/96/21/68/1069962168.db2.gz QDZKKSUSVNAKLR-MSYCTHLASA-N 1 2 461.632 1.532 20 0 JDADLO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502261825 1069962198 /nfs/dbraw/zinc/96/21/98/1069962198.db2.gz QDZKKSUSVNAKLR-MSYCTHLASA-N 1 2 461.632 1.532 20 0 JDADLO C[N@@H+]1CC[C@@H](CNC(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001478347219 1069971210 /nfs/dbraw/zinc/97/12/10/1069971210.db2.gz PFILZJFDNCQTGP-SJCJKPOMSA-N 1 2 458.947 1.634 20 0 JDADLO C[N@H+]1CC[C@@H](CNC(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001478347219 1069971236 /nfs/dbraw/zinc/97/12/36/1069971236.db2.gz PFILZJFDNCQTGP-SJCJKPOMSA-N 1 2 458.947 1.634 20 0 JDADLO C[N@@H+]1CC[C@@H](CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001478347219 1069971259 /nfs/dbraw/zinc/97/12/59/1069971259.db2.gz PFILZJFDNCQTGP-SJCJKPOMSA-N 1 2 458.947 1.634 20 0 JDADLO C[N@H+]1CC[C@@H](CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001478347219 1069971299 /nfs/dbraw/zinc/97/12/99/1069971299.db2.gz PFILZJFDNCQTGP-SJCJKPOMSA-N 1 2 458.947 1.634 20 0 JDADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CCS(C)(=O)=O)C[C@H]1C ZINC001502263262 1069967589 /nfs/dbraw/zinc/96/75/89/1069967589.db2.gz KHKMWCNPUCWXRC-SJORKVTESA-N 1 2 451.593 1.829 20 0 JDADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CCS(C)(=O)=O)C[C@H]1C ZINC001502263262 1069967623 /nfs/dbraw/zinc/96/76/23/1069967623.db2.gz KHKMWCNPUCWXRC-SJORKVTESA-N 1 2 451.593 1.829 20 0 JDADLO C[N@@H+]1CC[C@H](CNC(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001478347218 1069969474 /nfs/dbraw/zinc/96/94/74/1069969474.db2.gz PFILZJFDNCQTGP-PXAZEXFGSA-N 1 2 458.947 1.634 20 0 JDADLO C[N@H+]1CC[C@H](CNC(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001478347218 1069969519 /nfs/dbraw/zinc/96/95/19/1069969519.db2.gz PFILZJFDNCQTGP-PXAZEXFGSA-N 1 2 458.947 1.634 20 0 JDADLO C[N@@H+]1CC[C@H](CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001478347218 1069969557 /nfs/dbraw/zinc/96/95/57/1069969557.db2.gz PFILZJFDNCQTGP-PXAZEXFGSA-N 1 2 458.947 1.634 20 0 JDADLO C[N@H+]1CC[C@H](CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001478347218 1069969589 /nfs/dbraw/zinc/96/95/89/1069969589.db2.gz PFILZJFDNCQTGP-PXAZEXFGSA-N 1 2 458.947 1.634 20 0 JDADLO CCOC1CC(CNC(=O)NCc2cnc(N3CCOCC3)c(F)c2)([NH+]2CCOCC2)C1 ZINC001478394440 1069984261 /nfs/dbraw/zinc/98/42/61/1069984261.db2.gz QVUZRIAWXXBKJG-UHFFFAOYSA-N 1 2 451.543 1.126 20 0 JDADLO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC001478476457 1070003280 /nfs/dbraw/zinc/00/32/80/1070003280.db2.gz KXZVSZCSVXUGJW-MVCQKVDPSA-N 1 2 450.605 1.540 20 0 JDADLO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC001478476457 1070003294 /nfs/dbraw/zinc/00/32/94/1070003294.db2.gz KXZVSZCSVXUGJW-MVCQKVDPSA-N 1 2 450.605 1.540 20 0 JDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001478500202 1070005587 /nfs/dbraw/zinc/00/55/87/1070005587.db2.gz SGNSLDKRGHXKGL-UHFFFAOYSA-N 1 2 456.551 1.762 20 0 JDADLO O=C(NCCS(=O)(=O)CCc1ccccc1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001478518827 1070011153 /nfs/dbraw/zinc/01/11/53/1070011153.db2.gz VHZOXYIZPZMXQH-XZOQPEGZSA-N 1 2 459.612 1.826 20 0 JDADLO O=C(NCCS(=O)(=O)CCc1ccccc1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001478518827 1070011179 /nfs/dbraw/zinc/01/11/79/1070011179.db2.gz VHZOXYIZPZMXQH-XZOQPEGZSA-N 1 2 459.612 1.826 20 0 JDADLO O=C(NCCS(=O)(=O)CCc1ccccc1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001478518826 1070011489 /nfs/dbraw/zinc/01/14/89/1070011489.db2.gz VHZOXYIZPZMXQH-PKTZIBPZSA-N 1 2 459.612 1.826 20 0 JDADLO O=C(NCCS(=O)(=O)CCc1ccccc1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001478518826 1070011499 /nfs/dbraw/zinc/01/14/99/1070011499.db2.gz VHZOXYIZPZMXQH-PKTZIBPZSA-N 1 2 459.612 1.826 20 0 JDADLO CCOC1CC(CNC(=O)NC[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)([NH+]2CCOCC2)C1 ZINC001478558558 1070018318 /nfs/dbraw/zinc/01/83/18/1070018318.db2.gz LEIUHQDQLTVBJC-OORMENKPSA-N 1 2 452.596 1.668 20 0 JDADLO CNc1cc(CNC(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)cc[nH+]1 ZINC001478601563 1070026976 /nfs/dbraw/zinc/02/69/76/1070026976.db2.gz NWLHGNUDGBSIMS-UHFFFAOYSA-N 1 2 456.366 1.972 20 0 JDADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC001478608674 1070028912 /nfs/dbraw/zinc/02/89/12/1070028912.db2.gz AJSITLOWYWMVEQ-ZDUSSCGKSA-N 1 2 453.392 1.634 20 0 JDADLO CCN1CCCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC001502301460 1070046499 /nfs/dbraw/zinc/04/64/99/1070046499.db2.gz HLRQMPGNNWUTEP-AUSIDOKSSA-N 1 2 496.678 1.269 20 0 JDADLO CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)[nH+]2)CC1=O ZINC001502301410 1070046599 /nfs/dbraw/zinc/04/65/99/1070046599.db2.gz GAEWQCVPNHYSBH-QGZVFWFLSA-N 1 2 463.608 1.283 20 0 JDADLO O=C(NCc1nccc(C(F)(F)F)n1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001478830237 1070057563 /nfs/dbraw/zinc/05/75/63/1070057563.db2.gz XTOIJYBLTUFPJZ-UHFFFAOYSA-N 1 2 452.441 1.154 20 0 JDADLO O=C(NCc1nccc(C(F)(F)F)n1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001478830237 1070057582 /nfs/dbraw/zinc/05/75/82/1070057582.db2.gz XTOIJYBLTUFPJZ-UHFFFAOYSA-N 1 2 452.441 1.154 20 0 JDADLO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001502307972 1070061891 /nfs/dbraw/zinc/06/18/91/1070061891.db2.gz DEDFDKKPIQMCQU-FQEVSTJZSA-N 1 2 456.591 1.945 20 0 JDADLO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001502307972 1070061909 /nfs/dbraw/zinc/06/19/09/1070061909.db2.gz DEDFDKKPIQMCQU-FQEVSTJZSA-N 1 2 456.591 1.945 20 0 JDADLO CCN(C1CCN(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC1)S(C)(=O)=O ZINC001479134163 1070090539 /nfs/dbraw/zinc/09/05/39/1070090539.db2.gz QMUCBCRVQKKONZ-NRFANRHFSA-N 1 2 452.621 1.651 20 0 JDADLO CCN(C1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC1)S(C)(=O)=O ZINC001479134163 1070090553 /nfs/dbraw/zinc/09/05/53/1070090553.db2.gz QMUCBCRVQKKONZ-NRFANRHFSA-N 1 2 452.621 1.651 20 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CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315369 1070100531 /nfs/dbraw/zinc/10/05/31/1070100531.db2.gz MMSVAMSSXUKREI-RTWAWAEBSA-N 1 2 469.634 1.893 20 0 JDADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502315447 1070100645 /nfs/dbraw/zinc/10/06/45/1070100645.db2.gz NZKBSALCYCPDKY-KBMIEXCESA-N 1 2 487.624 1.985 20 0 JDADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502315446 1070101203 /nfs/dbraw/zinc/10/12/03/1070101203.db2.gz NZKBSALCYCPDKY-DFBJGRDBSA-N 1 2 487.624 1.985 20 0 JDADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502315976 1070109715 /nfs/dbraw/zinc/10/97/15/1070109715.db2.gz XIQPEWBPZBNBCU-UNMCSNQZSA-N 1 2 485.633 1.143 20 0 JDADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502315978 1070109883 /nfs/dbraw/zinc/10/98/83/1070109883.db2.gz XJQKETNGXPHFJE-SFHVURJKSA-N 1 2 459.570 1.349 20 0 JDADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)CC1 ZINC001479277807 1070115997 /nfs/dbraw/zinc/11/59/97/1070115997.db2.gz SROQDPLLFFBCOJ-LJQANCHMSA-N 1 2 452.559 1.245 20 0 JDADLO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(C)(=O)=O)C[C@@H]1C ZINC001502317731 1070123403 /nfs/dbraw/zinc/12/34/03/1070123403.db2.gz MQQHBRONNCAEBH-HNNXBMFYSA-N 1 2 469.011 1.437 20 0 JDADLO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(C)(=O)=O)C[C@@H]1C ZINC001502317731 1070123427 /nfs/dbraw/zinc/12/34/27/1070123427.db2.gz MQQHBRONNCAEBH-HNNXBMFYSA-N 1 2 469.011 1.437 20 0 JDADLO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001502317732 1070123603 /nfs/dbraw/zinc/12/36/03/1070123603.db2.gz MQQHBRONNCAEBH-OAHLLOKOSA-N 1 2 469.011 1.437 20 0 JDADLO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001502317732 1070123616 /nfs/dbraw/zinc/12/36/16/1070123616.db2.gz MQQHBRONNCAEBH-OAHLLOKOSA-N 1 2 469.011 1.437 20 0 JDADLO COC[C@@H](CCO)NC(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001479294357 1070123619 /nfs/dbraw/zinc/12/36/19/1070123619.db2.gz PDHLOSXJJFJWKY-HXUWFJFHSA-N 1 2 450.580 1.936 20 0 JDADLO COC[C@H](CCO)NC(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001479294354 1070123698 /nfs/dbraw/zinc/12/36/98/1070123698.db2.gz PDHLOSXJJFJWKY-FQEVSTJZSA-N 1 2 450.580 1.936 20 0 JDADLO COC(=O)c1cnc(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001479334183 1070128580 /nfs/dbraw/zinc/12/85/80/1070128580.db2.gz CQJZWDBPCVEAIZ-AWEZNQCLSA-N 1 2 453.565 1.766 20 0 JDADLO CCO[C@@H](C)c1nc(CN2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)cs1 ZINC001479392279 1070143032 /nfs/dbraw/zinc/14/30/32/1070143032.db2.gz OYGSWUYJDPPADV-KRWDZBQOSA-N 1 2 453.609 1.517 20 0 JDADLO CCO[C@@H](C)c1nc(CN2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)cs1 ZINC001479392279 1070143049 /nfs/dbraw/zinc/14/30/49/1070143049.db2.gz OYGSWUYJDPPADV-KRWDZBQOSA-N 1 2 453.609 1.517 20 0 JDADLO CC[N@@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001502325516 1070145137 /nfs/dbraw/zinc/14/51/37/1070145137.db2.gz ITSATVTZZMBCKT-QGZVFWFLSA-N 1 2 462.624 1.027 20 0 JDADLO CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001502325516 1070145151 /nfs/dbraw/zinc/14/51/51/1070145151.db2.gz ITSATVTZZMBCKT-QGZVFWFLSA-N 1 2 462.624 1.027 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)C[C@@H]1C ZINC001502326989 1070148077 /nfs/dbraw/zinc/14/80/77/1070148077.db2.gz GRHXBJNLMJZPOU-DLBZAZTESA-N 1 2 478.594 1.280 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)C[C@@H]1C ZINC001502326989 1070148102 /nfs/dbraw/zinc/14/81/02/1070148102.db2.gz GRHXBJNLMJZPOU-DLBZAZTESA-N 1 2 478.594 1.280 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)C[C@H]1C ZINC001502328108 1070159202 /nfs/dbraw/zinc/15/92/02/1070159202.db2.gz ZJFJDIPRYPGOOX-IEBWSBKVSA-N 1 2 461.632 1.986 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)C[C@H]1C ZINC001502328108 1070159225 /nfs/dbraw/zinc/15/92/25/1070159225.db2.gz ZJFJDIPRYPGOOX-IEBWSBKVSA-N 1 2 461.632 1.986 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001502328122 1070159824 /nfs/dbraw/zinc/15/98/24/1070159824.db2.gz ZKVQLLNYVAWMIF-WBVHZDCISA-N 1 2 464.592 1.171 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001502328122 1070159841 /nfs/dbraw/zinc/15/98/41/1070159841.db2.gz ZKVQLLNYVAWMIF-WBVHZDCISA-N 1 2 464.592 1.171 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)C[C@H]1C ZINC001502328109 1070159968 /nfs/dbraw/zinc/15/99/68/1070159968.db2.gz ZJFJDIPRYPGOOX-MJGOQNOKSA-N 1 2 461.632 1.986 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)C[C@H]1C ZINC001502328109 1070159980 /nfs/dbraw/zinc/15/99/80/1070159980.db2.gz ZJFJDIPRYPGOOX-MJGOQNOKSA-N 1 2 461.632 1.986 20 0 JDADLO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502331873 1070167261 /nfs/dbraw/zinc/16/72/61/1070167261.db2.gz YRNDIDJAJGMWJF-AUSIDOKSSA-N 1 2 477.631 1.554 20 0 JDADLO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502331873 1070167286 /nfs/dbraw/zinc/16/72/86/1070167286.db2.gz YRNDIDJAJGMWJF-AUSIDOKSSA-N 1 2 477.631 1.554 20 0 JDADLO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502331874 1070167677 /nfs/dbraw/zinc/16/76/77/1070167677.db2.gz YRNDIDJAJGMWJF-CVDCTZTESA-N 1 2 477.631 1.554 20 0 JDADLO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502331874 1070167691 /nfs/dbraw/zinc/16/76/91/1070167691.db2.gz YRNDIDJAJGMWJF-CVDCTZTESA-N 1 2 477.631 1.554 20 0 JDADLO Cc1noc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001493118962 1070210760 /nfs/dbraw/zinc/21/07/60/1070210760.db2.gz LQXZVZYHWKUMFF-KRWDZBQOSA-N 1 2 451.597 1.282 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3ccc(F)cc3)CC2)on1 ZINC001493152825 1070217169 /nfs/dbraw/zinc/21/71/69/1070217169.db2.gz HCCCDBITQAFJMV-MRXNPFEDSA-N 1 2 477.566 1.694 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCC(F)(F)F)CC2)on1 ZINC001493153342 1070217592 /nfs/dbraw/zinc/21/75/92/1070217592.db2.gz LCCORLDRHNXKER-AWEZNQCLSA-N 1 2 479.529 1.849 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCSC(C)C)CC2)on1 ZINC001493153997 1070218711 /nfs/dbraw/zinc/21/87/11/1070218711.db2.gz WNLOPZHBCLGWAZ-MRXNPFEDSA-N 1 2 471.653 1.649 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CC(=O)NCC(F)(F)F)CC2)on1 ZINC001493158360 1070221337 /nfs/dbraw/zinc/22/13/37/1070221337.db2.gz XRGKVBFYZHYXBX-UHFFFAOYSA-N 1 2 452.441 1.570 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCC(=O)N(C)C)CC2)on1 ZINC001493158140 1070222354 /nfs/dbraw/zinc/22/23/54/1070222354.db2.gz VRYQUKCLIYNOBJ-HSZRJFAPSA-N 1 2 475.594 1.416 20 0 JDADLO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001493168061 1070226732 /nfs/dbraw/zinc/22/67/32/1070226732.db2.gz AHYWLNTZUWAFQV-LPHOPBHVSA-N 1 2 486.598 1.911 20 0 JDADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCC(F)F)CC1 ZINC001493649015 1070324432 /nfs/dbraw/zinc/32/44/32/1070324432.db2.gz LNYLHGSTJGCPAN-QGZVFWFLSA-N 1 2 492.575 1.188 20 0 JDADLO CCNC(=O)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC001502414513 1070352960 /nfs/dbraw/zinc/35/29/60/1070352960.db2.gz NLYNUHZEVBAGGA-YLJYHZDGSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC001502414513 1070352978 /nfs/dbraw/zinc/35/29/78/1070352978.db2.gz NLYNUHZEVBAGGA-YLJYHZDGSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC001502418998 1070358402 /nfs/dbraw/zinc/35/84/02/1070358402.db2.gz HJMFHCPTCHPKHR-PXNSSMCTSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC001502418998 1070358423 /nfs/dbraw/zinc/35/84/23/1070358423.db2.gz HJMFHCPTCHPKHR-PXNSSMCTSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC001502418997 1070358623 /nfs/dbraw/zinc/35/86/23/1070358623.db2.gz HJMFHCPTCHPKHR-FXAWDEMLSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC001502418997 1070358645 /nfs/dbraw/zinc/35/86/45/1070358645.db2.gz HJMFHCPTCHPKHR-FXAWDEMLSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001502421193 1070362855 /nfs/dbraw/zinc/36/28/55/1070362855.db2.gz PUATZODZRSMXNC-UHFFFAOYSA-N 1 2 497.648 1.108 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502435793 1070398186 /nfs/dbraw/zinc/39/81/86/1070398186.db2.gz JYDLKNYQYQGULH-QFIPXVFZSA-N 1 2 499.660 1.453 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502435793 1070398211 /nfs/dbraw/zinc/39/82/11/1070398211.db2.gz JYDLKNYQYQGULH-QFIPXVFZSA-N 1 2 499.660 1.453 20 0 JDADLO C[C@@H]1CN(c2ccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)CC(=O)NC(C)(C)C)c[nH+]2)CCO1 ZINC001494130624 1070419074 /nfs/dbraw/zinc/41/90/74/1070419074.db2.gz UVGOBMMKHMTEEG-GOSISDBHSA-N 1 2 498.632 1.533 20 0 JDADLO CCNC(=O)N1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001502441639 1070418817 /nfs/dbraw/zinc/41/88/17/1070418817.db2.gz MMUVDOZLZJBKFU-HSZRJFAPSA-N 1 2 472.594 1.291 20 0 JDADLO CCNC(=O)N1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001502442019 1070423371 /nfs/dbraw/zinc/42/33/71/1070423371.db2.gz QRLQKAVOSYDONQ-QFIPXVFZSA-N 1 2 459.551 1.234 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494136199 1070426119 /nfs/dbraw/zinc/42/61/19/1070426119.db2.gz KDQSAYKREQBJAL-MSOLQXFVSA-N 1 2 464.574 1.632 20 0 JDADLO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494140340 1070435256 /nfs/dbraw/zinc/43/52/56/1070435256.db2.gz MCBDMDVWZYQGEG-HOTGVXAUSA-N 1 2 474.528 1.781 20 0 JDADLO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494140340 1070435277 /nfs/dbraw/zinc/43/52/77/1070435277.db2.gz MCBDMDVWZYQGEG-HOTGVXAUSA-N 1 2 474.528 1.781 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502456637 1070465880 /nfs/dbraw/zinc/46/58/80/1070465880.db2.gz HYDWAQMPYAFMIW-FQEVSTJZSA-N 1 2 455.607 1.750 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502456637 1070465899 /nfs/dbraw/zinc/46/58/99/1070465899.db2.gz HYDWAQMPYAFMIW-FQEVSTJZSA-N 1 2 455.607 1.750 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001494189988 1070461809 /nfs/dbraw/zinc/46/18/09/1070461809.db2.gz GJQDCDHQIQNSAX-ZWKOTPCHSA-N 1 2 477.635 1.937 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001502466175 1070509563 /nfs/dbraw/zinc/50/95/63/1070509563.db2.gz MRRJJFLIPFMIIS-HKUYNNGSSA-N 1 2 477.635 1.590 20 0 JDADLO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001494335457 1070546060 /nfs/dbraw/zinc/54/60/60/1070546060.db2.gz VERKGXUPFWYUNN-MKXGPGLRSA-N 1 2 464.611 1.852 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c[nH+]ccc2OC)C1 ZINC001502475079 1070548407 /nfs/dbraw/zinc/54/84/07/1070548407.db2.gz SDEKZTKBARLWGP-AEFFLSMTSA-N 1 2 450.565 1.490 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c[nH+]ccc2OC)C1 ZINC001502475082 1070549726 /nfs/dbraw/zinc/54/97/26/1070549726.db2.gz SDEKZTKBARLWGP-WMZOPIPTSA-N 1 2 450.565 1.490 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001502480877 1070577761 /nfs/dbraw/zinc/57/77/61/1070577761.db2.gz XVMLSTJQFUZXNT-FUHWJXTLSA-N 1 2 468.649 1.169 20 0 JDADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC(C)(C)C1 ZINC001494365137 1070573971 /nfs/dbraw/zinc/57/39/71/1070573971.db2.gz QKBSZISTUPRNBB-HKUYNNGSSA-N 1 2 491.662 1.993 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001502480877 1070577749 /nfs/dbraw/zinc/57/77/49/1070577749.db2.gz XVMLSTJQFUZXNT-FUHWJXTLSA-N 1 2 468.649 1.169 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502492117 1070606011 /nfs/dbraw/zinc/60/60/11/1070606011.db2.gz NLPDZFHZXIAVNB-ROUUACIJSA-N 1 2 454.572 1.001 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502492117 1070606023 /nfs/dbraw/zinc/60/60/23/1070606023.db2.gz NLPDZFHZXIAVNB-ROUUACIJSA-N 1 2 454.572 1.001 20 0 JDADLO CCOC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502507366 1070627610 /nfs/dbraw/zinc/62/76/10/1070627610.db2.gz OQILCIUEHPRDSH-GOSISDBHSA-N 1 2 476.553 1.995 20 0 JDADLO CCOC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502507366 1070627617 /nfs/dbraw/zinc/62/76/17/1070627617.db2.gz OQILCIUEHPRDSH-GOSISDBHSA-N 1 2 476.553 1.995 20 0 JDADLO CCOC(=O)N[C@H](CC(C)C)Cn1c(C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001502508743 1070628669 /nfs/dbraw/zinc/62/86/69/1070628669.db2.gz DCHJHPIDAOWJCE-YADHBBJMSA-N 1 2 479.670 1.979 20 0 JDADLO CCOC(=O)N[C@@H](CC(C)C)Cn1c(C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001502508740 1070628712 /nfs/dbraw/zinc/62/87/12/1070628712.db2.gz DCHJHPIDAOWJCE-FCHUYYIVSA-N 1 2 479.670 1.979 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001502521164 1070638433 /nfs/dbraw/zinc/63/84/33/1070638433.db2.gz ZBVSPISSLCIETH-GOSISDBHSA-N 1 2 477.610 1.340 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502528011 1070648033 /nfs/dbraw/zinc/64/80/33/1070648033.db2.gz SZAVKDYQENSSQF-QGZVFWFLSA-N 1 2 451.535 1.959 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001494601598 1070649954 /nfs/dbraw/zinc/64/99/54/1070649954.db2.gz IAJZKAJPTAKSTP-FGTMMUONSA-N 1 2 450.584 1.954 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001494601598 1070649959 /nfs/dbraw/zinc/64/99/59/1070649959.db2.gz IAJZKAJPTAKSTP-FGTMMUONSA-N 1 2 450.584 1.954 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001494601256 1070649968 /nfs/dbraw/zinc/64/99/68/1070649968.db2.gz CFUIGPGHDZNJOO-MRXNPFEDSA-N 1 2 493.406 1.619 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001494601256 1070649972 /nfs/dbraw/zinc/64/99/72/1070649972.db2.gz CFUIGPGHDZNJOO-MRXNPFEDSA-N 1 2 493.406 1.619 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 ZINC001494600924 1070650005 /nfs/dbraw/zinc/65/00/05/1070650005.db2.gz AVRWFZRCFGGOOG-MJGOQNOKSA-N 1 2 491.637 1.773 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 ZINC001494600924 1070650007 /nfs/dbraw/zinc/65/00/07/1070650007.db2.gz AVRWFZRCFGGOOG-MJGOQNOKSA-N 1 2 491.637 1.773 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001494601327 1070650043 /nfs/dbraw/zinc/65/00/43/1070650043.db2.gz DRFVLTQUSZGHTA-GBESFXJTSA-N 1 2 464.611 1.996 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001494601327 1070650050 /nfs/dbraw/zinc/65/00/50/1070650050.db2.gz DRFVLTQUSZGHTA-GBESFXJTSA-N 1 2 464.611 1.996 20 0 JDADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001494601902 1070651097 /nfs/dbraw/zinc/65/10/97/1070651097.db2.gz KCTDQXFKBJZCEF-HCXYKTFWSA-N 1 2 491.637 1.436 20 0 JDADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001494601902 1070651105 /nfs/dbraw/zinc/65/11/05/1070651105.db2.gz KCTDQXFKBJZCEF-HCXYKTFWSA-N 1 2 491.637 1.436 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCOc1ccccc1F ZINC001494601977 1070651838 /nfs/dbraw/zinc/65/18/38/1070651838.db2.gz KODLTIKJTNDDEJ-GOSISDBHSA-N 1 2 460.554 1.776 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCOc1ccccc1F ZINC001494601977 1070651849 /nfs/dbraw/zinc/65/18/49/1070651849.db2.gz KODLTIKJTNDDEJ-GOSISDBHSA-N 1 2 460.554 1.776 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1 ZINC001494602555 1070652947 /nfs/dbraw/zinc/65/29/47/1070652947.db2.gz FRUWFBKJRZEWAU-GOSISDBHSA-N 1 2 464.611 1.950 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1 ZINC001494602555 1070652960 /nfs/dbraw/zinc/65/29/60/1070652960.db2.gz FRUWFBKJRZEWAU-GOSISDBHSA-N 1 2 464.611 1.950 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001494602874 1070653159 /nfs/dbraw/zinc/65/31/59/1070653159.db2.gz PMAWRVHBJYEUKK-INIZCTEOSA-N 1 2 477.635 1.341 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001494602874 1070653168 /nfs/dbraw/zinc/65/31/68/1070653168.db2.gz PMAWRVHBJYEUKK-INIZCTEOSA-N 1 2 477.635 1.341 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001494602310 1070653184 /nfs/dbraw/zinc/65/31/84/1070653184.db2.gz FFJUNZRKGANRDP-PKOBYXMFSA-N 1 2 491.637 1.691 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001494602310 1070653188 /nfs/dbraw/zinc/65/31/88/1070653188.db2.gz FFJUNZRKGANRDP-PKOBYXMFSA-N 1 2 491.637 1.691 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001494602307 1070653230 /nfs/dbraw/zinc/65/32/30/1070653230.db2.gz FFJUNZRKGANRDP-IEBWSBKVSA-N 1 2 491.637 1.691 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001494602307 1070653237 /nfs/dbraw/zinc/65/32/37/1070653237.db2.gz FFJUNZRKGANRDP-IEBWSBKVSA-N 1 2 491.637 1.691 20 0 JDADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC[C@H]1C ZINC001494602886 1070654260 /nfs/dbraw/zinc/65/42/60/1070654260.db2.gz PONMLULEKCFBLM-NHCUHLMSSA-N 1 2 497.644 1.777 20 0 JDADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC[C@H]1C ZINC001494602886 1070654280 /nfs/dbraw/zinc/65/42/80/1070654280.db2.gz PONMLULEKCFBLM-NHCUHLMSSA-N 1 2 497.644 1.777 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C ZINC001494603627 1070655730 /nfs/dbraw/zinc/65/57/30/1070655730.db2.gz TUDBHZDHCOJVPF-KRWDZBQOSA-N 1 2 471.606 1.838 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C ZINC001494603627 1070655742 /nfs/dbraw/zinc/65/57/42/1070655742.db2.gz TUDBHZDHCOJVPF-KRWDZBQOSA-N 1 2 471.606 1.838 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001502533678 1070656436 /nfs/dbraw/zinc/65/64/36/1070656436.db2.gz QPPKUPFPRDVKQD-AZUAARDMSA-N 1 2 457.579 1.700 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001502533681 1070656568 /nfs/dbraw/zinc/65/65/68/1070656568.db2.gz QPPKUPFPRDVKQD-UYAOXDASSA-N 1 2 457.579 1.700 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604614 1070657227 /nfs/dbraw/zinc/65/72/27/1070657227.db2.gz ZMYHLDNHQLBPKU-MRXNPFEDSA-N 1 2 491.534 1.144 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604614 1070657244 /nfs/dbraw/zinc/65/72/44/1070657244.db2.gz ZMYHLDNHQLBPKU-MRXNPFEDSA-N 1 2 491.534 1.144 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604249 1070657423 /nfs/dbraw/zinc/65/74/23/1070657423.db2.gz MLOHGNURRMEJAD-JKSUJKDBSA-N 1 2 464.508 1.525 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604249 1070657449 /nfs/dbraw/zinc/65/74/49/1070657449.db2.gz MLOHGNURRMEJAD-JKSUJKDBSA-N 1 2 464.508 1.525 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494605146 1070658605 /nfs/dbraw/zinc/65/86/05/1070658605.db2.gz SFKBYHGOHPEGED-OAHLLOKOSA-N 1 2 484.527 1.294 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494605146 1070658641 /nfs/dbraw/zinc/65/86/41/1070658641.db2.gz SFKBYHGOHPEGED-OAHLLOKOSA-N 1 2 484.527 1.294 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001494605232 1070658725 /nfs/dbraw/zinc/65/87/25/1070658725.db2.gz UEGNZHNWOBGBCZ-LJQANCHMSA-N 1 2 455.607 1.679 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001494605232 1070658737 /nfs/dbraw/zinc/65/87/37/1070658737.db2.gz UEGNZHNWOBGBCZ-LJQANCHMSA-N 1 2 455.607 1.679 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001494605073 1070658770 /nfs/dbraw/zinc/65/87/70/1070658770.db2.gz RLKDCJNIHKCSMA-HNNXBMFYSA-N 1 2 461.567 1.077 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001494605073 1070658781 /nfs/dbraw/zinc/65/87/81/1070658781.db2.gz RLKDCJNIHKCSMA-HNNXBMFYSA-N 1 2 461.567 1.077 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001494605275 1070659586 /nfs/dbraw/zinc/65/95/86/1070659586.db2.gz UWIQJYDTDOQOSR-BRWVUGGUSA-N 1 2 474.528 1.745 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001494605275 1070659596 /nfs/dbraw/zinc/65/95/96/1070659596.db2.gz UWIQJYDTDOQOSR-BRWVUGGUSA-N 1 2 474.528 1.745 20 0 JDADLO CCOC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001502536203 1070662790 /nfs/dbraw/zinc/66/27/90/1070662790.db2.gz UCBGWIRDCXHDOT-ZWKOTPCHSA-N 1 2 450.584 1.955 20 0 JDADLO CCOC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001502536203 1070662813 /nfs/dbraw/zinc/66/28/13/1070662813.db2.gz UCBGWIRDCXHDOT-ZWKOTPCHSA-N 1 2 450.584 1.955 20 0 JDADLO C[C@@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001494642795 1070669661 /nfs/dbraw/zinc/66/96/61/1070669661.db2.gz IHXGWSWRKQKPEA-YWZLYKJASA-N 1 2 483.411 1.354 20 0 JDADLO CCOC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001502549306 1070666112 /nfs/dbraw/zinc/66/61/12/1070666112.db2.gz MYMSNDYMXMOPSM-UHFFFAOYSA-N 1 2 469.590 1.776 20 0 JDADLO C[C@@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001494646819 1070673001 /nfs/dbraw/zinc/67/30/01/1070673001.db2.gz WTMSWDRMWXHJRI-LIRRHRJNSA-N 1 2 469.384 1.344 20 0 JDADLO CCO[C@]1(c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCOC1 ZINC001502617966 1070692497 /nfs/dbraw/zinc/69/24/97/1070692497.db2.gz DCFRZRWBZSEZHF-LLJLJFOGSA-N 1 2 487.605 1.299 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CC(=O)NC(C)C)n2CCc2cn3ccccc3[nH+]2)CCOC1 ZINC001502624303 1070704955 /nfs/dbraw/zinc/70/49/55/1070704955.db2.gz AEJDTBNCKNBFQE-HSZRJFAPSA-N 1 2 455.563 1.781 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(CC)CCOCC2)CCOC1 ZINC001502654874 1070726926 /nfs/dbraw/zinc/72/69/26/1070726926.db2.gz IUHLWBIJWAQTDG-QHCPKHFHSA-N 1 2 451.612 1.905 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@](C)(O)c2cc(C)oc2C)CCOC1 ZINC001502655172 1070728456 /nfs/dbraw/zinc/72/84/56/1070728456.db2.gz OFHBHIVTSSYSBR-ZEQRLZLVSA-N 1 2 477.606 1.816 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@](C)(O)c2cc(C)oc2C)CCOC1 ZINC001502655169 1070728536 /nfs/dbraw/zinc/72/85/36/1070728536.db2.gz OFHBHIVTSSYSBR-BJKOFHAPSA-N 1 2 477.606 1.816 20 0 JDADLO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001494731304 1070729583 /nfs/dbraw/zinc/72/95/83/1070729583.db2.gz CQBDVLNLHOEYTD-JKBKZWBZSA-N 1 2 464.611 1.218 20 0 JDADLO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001494731304 1070729603 /nfs/dbraw/zinc/72/96/03/1070729603.db2.gz CQBDVLNLHOEYTD-JKBKZWBZSA-N 1 2 464.611 1.218 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CCc2scnc2C)CCOC1 ZINC001502655543 1070729793 /nfs/dbraw/zinc/72/97/93/1070729793.db2.gz WQBZTGNKNNCBKC-NRFANRHFSA-N 1 2 450.609 1.706 20 0 JDADLO CCO[C@]1(c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001502661155 1070736625 /nfs/dbraw/zinc/73/66/25/1070736625.db2.gz ZZCUIZMTURCDLA-MHECFPHRSA-N 1 2 471.606 1.887 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502662930 1070740517 /nfs/dbraw/zinc/74/05/17/1070740517.db2.gz WYWHHZXTPDMTJP-MBSDFSHPSA-N 1 2 464.611 1.098 20 0 JDADLO CC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001494786146 1070744873 /nfs/dbraw/zinc/74/48/73/1070744873.db2.gz MXQNRHPLAHIKAJ-RUZDIDTESA-N 1 2 486.617 1.868 20 0 JDADLO CC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001494798929 1070748456 /nfs/dbraw/zinc/74/84/56/1070748456.db2.gz XJFKYTIREQQHMU-CYFREDJKSA-N 1 2 455.607 1.942 20 0 JDADLO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001494888237 1070766671 /nfs/dbraw/zinc/76/66/71/1070766671.db2.gz UIFPSHUUJGBDRC-DVECYGJZSA-N 1 2 455.607 1.882 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001494888247 1070766714 /nfs/dbraw/zinc/76/67/14/1070766714.db2.gz UIFPSHUUJGBDRC-YADARESESA-N 1 2 455.607 1.882 20 0 JDADLO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001494888244 1070766917 /nfs/dbraw/zinc/76/69/17/1070766917.db2.gz UIFPSHUUJGBDRC-NTKDMRAZSA-N 1 2 455.607 1.882 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(CC(=O)NC)CC3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502678893 1070765599 /nfs/dbraw/zinc/76/55/99/1070765599.db2.gz UQBJPNXMJRYZRW-WZONZLPQSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(CC(=O)NC)CC3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502678892 1070765883 /nfs/dbraw/zinc/76/58/83/1070765883.db2.gz UQBJPNXMJRYZRW-MBSDFSHPSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(CC(=O)NC)CC3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001502679139 1070766070 /nfs/dbraw/zinc/76/60/70/1070766070.db2.gz YRWGKHDNTZBGRS-XMMPIXPASA-N 1 2 478.638 1.394 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001494916199 1070773573 /nfs/dbraw/zinc/77/35/73/1070773573.db2.gz JKTKUSPQRXXMHJ-NJNPRVFISA-N 1 2 469.652 1.278 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001502683417 1070780824 /nfs/dbraw/zinc/78/08/24/1070780824.db2.gz PLUYYGGACSEENF-QHCPKHFHSA-N 1 2 492.646 1.784 20 0 JDADLO CC[C@H](C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001494957592 1070782326 /nfs/dbraw/zinc/78/23/26/1070782326.db2.gz JBTIGRFAXCGGON-OKZBNKHCSA-N 1 2 465.624 1.671 20 0 JDADLO CC[C@H](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001495015495 1070790878 /nfs/dbraw/zinc/79/08/78/1070790878.db2.gz QPLOVJHBKPQFBN-TUFLPTIASA-N 1 2 462.639 1.976 20 0 JDADLO CC[C@H](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001495015489 1070791033 /nfs/dbraw/zinc/79/10/33/1070791033.db2.gz QPLOVJHBKPQFBN-BURNTYAHSA-N 1 2 462.639 1.976 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2CC[N@H+]2CC=CCC2)CCOC1 ZINC001502684170 1070784934 /nfs/dbraw/zinc/78/49/34/1070784934.db2.gz APUOOAFIVHPJPZ-JOCHJYFZSA-N 1 2 467.636 1.596 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001502684170 1070784949 /nfs/dbraw/zinc/78/49/49/1070784949.db2.gz APUOOAFIVHPJPZ-JOCHJYFZSA-N 1 2 467.636 1.596 20 0 JDADLO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001495277151 1070800849 /nfs/dbraw/zinc/80/08/49/1070800849.db2.gz SEQFYJFVYPSHGM-FMWKFLBASA-N 1 2 480.679 1.605 20 0 JDADLO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001495277151 1070800853 /nfs/dbraw/zinc/80/08/53/1070800853.db2.gz SEQFYJFVYPSHGM-FMWKFLBASA-N 1 2 480.679 1.605 20 0 JDADLO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001495277154 1070801064 /nfs/dbraw/zinc/80/10/64/1070801064.db2.gz SEQFYJFVYPSHGM-JYAXBFRTSA-N 1 2 480.679 1.605 20 0 JDADLO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001495277154 1070801065 /nfs/dbraw/zinc/80/10/65/1070801065.db2.gz SEQFYJFVYPSHGM-JYAXBFRTSA-N 1 2 480.679 1.605 20 0 JDADLO CC[C@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495068289 1070797449 /nfs/dbraw/zinc/79/74/49/1070797449.db2.gz YVIUPSZGLOHUGI-FPOVZHCZSA-N 1 2 469.638 1.851 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502688598 1070800019 /nfs/dbraw/zinc/80/00/19/1070800019.db2.gz OBKHWYVCKLFONU-JPYJTQIMSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502688598 1070800024 /nfs/dbraw/zinc/80/00/24/1070800024.db2.gz OBKHWYVCKLFONU-JPYJTQIMSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@H](C(=O)NC)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502688599 1070800167 /nfs/dbraw/zinc/80/01/67/1070800167.db2.gz OBKHWYVCKLFONU-MBSDFSHPSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@H](C(=O)NC)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502688599 1070800171 /nfs/dbraw/zinc/80/01/71/1070800171.db2.gz OBKHWYVCKLFONU-MBSDFSHPSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502692958 1070805184 /nfs/dbraw/zinc/80/51/84/1070805184.db2.gz LLCRTUOYRCVRNX-XXBNENTESA-N 1 2 457.579 1.544 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502694238 1070807519 /nfs/dbraw/zinc/80/75/19/1070807519.db2.gz YVLUXKCNMOJJGA-ZYLNGJIFSA-N 1 2 492.665 1.782 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502694238 1070807521 /nfs/dbraw/zinc/80/75/21/1070807521.db2.gz YVLUXKCNMOJJGA-ZYLNGJIFSA-N 1 2 492.665 1.782 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502694348 1070807895 /nfs/dbraw/zinc/80/78/95/1070807895.db2.gz ZXPQCBPRZQXUSH-JXALWOEJSA-N 1 2 478.638 1.392 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502694348 1070807896 /nfs/dbraw/zinc/80/78/96/1070807896.db2.gz ZXPQCBPRZQXUSH-JXALWOEJSA-N 1 2 478.638 1.392 20 0 JDADLO CC[C@H](C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001495586546 1070808021 /nfs/dbraw/zinc/80/80/21/1070808021.db2.gz CHNHVUKDKUPGPK-RDJZCZTQSA-N 1 2 452.567 1.833 20 0 JDADLO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001495588260 1070808403 /nfs/dbraw/zinc/80/84/03/1070808403.db2.gz MVGXECYPCVWMKE-OTWHNJEPSA-N 1 2 454.641 1.517 20 0 JDADLO CCO[C@]1(c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502699881 1070810505 /nfs/dbraw/zinc/81/05/05/1070810505.db2.gz MEOJHCDSOACTOT-AUSIDOKSSA-N 1 2 492.646 1.843 20 0 JDADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001495719506 1070817478 /nfs/dbraw/zinc/81/74/78/1070817478.db2.gz ONIKWNGVHIULEI-MOPGFXCFSA-N 1 2 483.683 1.252 20 0 JDADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cnn(CCOC)c1 ZINC001495711733 1070816963 /nfs/dbraw/zinc/81/69/63/1070816963.db2.gz VDRAINBUSMEPQW-UXHICEINSA-N 1 2 472.638 1.816 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495766189 1070819261 /nfs/dbraw/zinc/81/92/61/1070819261.db2.gz QJZRSDAJSNFWHR-SFHVURJKSA-N 1 2 469.638 1.689 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495790276 1070820339 /nfs/dbraw/zinc/82/03/39/1070820339.db2.gz DMFUVKPDLVJXPT-IBGZPJMESA-N 1 2 459.639 1.937 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(CS(C)(=O)=O)CC2)CCOC1 ZINC001502713806 1070820617 /nfs/dbraw/zinc/82/06/17/1070820617.db2.gz BTVKQXBJGIIHMT-JOCHJYFZSA-N 1 2 469.652 1.676 20 0 JDADLO COc1cc(-c2nnc(N3CCNC(=O)C3)n2CCCNc2cccc[nH+]2)cc(OC)c1OC ZINC001504077617 1070821519 /nfs/dbraw/zinc/82/15/19/1070821519.db2.gz CFOXOHNYPWEKOP-UHFFFAOYSA-N 1 2 467.530 1.804 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCC(=O)N[C@@H](C)CC)CCOC1 ZINC001502719355 1070827937 /nfs/dbraw/zinc/82/79/37/1070827937.db2.gz YJFCCLAVSOAASN-CYFREDJKSA-N 1 2 471.606 1.957 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCC(=O)N[C@@H](C)CC)CCOC1 ZINC001502719358 1070827961 /nfs/dbraw/zinc/82/79/61/1070827961.db2.gz YJFCCLAVSOAASN-YADARESESA-N 1 2 471.606 1.957 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCNC(=O)C(C)C)CCOC1 ZINC001502719485 1070827978 /nfs/dbraw/zinc/82/79/78/1070827978.db2.gz YOKJKCQMGJMJII-HSZRJFAPSA-N 1 2 472.594 1.127 20 0 JDADLO COc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)cc(OC)c1 ZINC001504091187 1070827968 /nfs/dbraw/zinc/82/79/68/1070827968.db2.gz MHAMQGYBKNYRQB-JXFKEZNVSA-N 1 2 458.563 1.604 20 0 JDADLO COc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)cc(OC)c1 ZINC001504091187 1070827969 /nfs/dbraw/zinc/82/79/69/1070827969.db2.gz MHAMQGYBKNYRQB-JXFKEZNVSA-N 1 2 458.563 1.604 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001495849372 1070824230 /nfs/dbraw/zinc/82/42/30/1070824230.db2.gz GLICZOPPWNWVRK-IRXDYDNUSA-N 1 2 477.639 1.374 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001495849372 1070824231 /nfs/dbraw/zinc/82/42/31/1070824231.db2.gz GLICZOPPWNWVRK-IRXDYDNUSA-N 1 2 477.639 1.374 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502721592 1070829576 /nfs/dbraw/zinc/82/95/76/1070829576.db2.gz HNZLECIRYNTFBD-BBTUJRGHSA-N 1 2 490.571 1.724 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502721592 1070829580 /nfs/dbraw/zinc/82/95/80/1070829580.db2.gz HNZLECIRYNTFBD-BBTUJRGHSA-N 1 2 490.571 1.724 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](CC)C3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 ZINC001502725835 1070835615 /nfs/dbraw/zinc/83/56/15/1070835615.db2.gz MZIBQCRGQNVFEA-SXWKCWPCSA-N 1 2 499.678 1.445 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](CC)C3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 ZINC001502725835 1070835621 /nfs/dbraw/zinc/83/56/21/1070835621.db2.gz MZIBQCRGQNVFEA-SXWKCWPCSA-N 1 2 499.678 1.445 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](CC)C3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 ZINC001502725836 1070835661 /nfs/dbraw/zinc/83/56/61/1070835661.db2.gz MZIBQCRGQNVFEA-TXTKFYIRSA-N 1 2 499.678 1.445 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 ZINC001502725836 1070835662 /nfs/dbraw/zinc/83/56/62/1070835662.db2.gz MZIBQCRGQNVFEA-TXTKFYIRSA-N 1 2 499.678 1.445 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001496219214 1070837244 /nfs/dbraw/zinc/83/72/44/1070837244.db2.gz AOEJDTLJCUOEHC-HZPDHXFCSA-N 1 2 492.650 1.217 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001502726624 1070837672 /nfs/dbraw/zinc/83/76/72/1070837672.db2.gz YQVPXOKIFMPBCS-QHCPKHFHSA-N 1 2 477.009 1.994 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001496224466 1070837894 /nfs/dbraw/zinc/83/78/94/1070837894.db2.gz VEGXFZGTJBDBFU-IBGZPJMESA-N 1 2 485.637 1.660 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001496224466 1070837895 /nfs/dbraw/zinc/83/78/95/1070837895.db2.gz VEGXFZGTJBDBFU-IBGZPJMESA-N 1 2 485.637 1.660 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCOC1 ZINC001502729078 1070839316 /nfs/dbraw/zinc/83/93/16/1070839316.db2.gz KZSTYPVIZNBBPK-JPYJTQIMSA-N 1 2 478.544 1.838 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502729437 1070839933 /nfs/dbraw/zinc/83/99/33/1070839933.db2.gz PMUJSPRHYYCWMH-SELNLUPBSA-N 1 2 451.612 1.902 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502729437 1070839938 /nfs/dbraw/zinc/83/99/38/1070839938.db2.gz PMUJSPRHYYCWMH-SELNLUPBSA-N 1 2 451.612 1.902 20 0 JDADLO COc1cc(NC2CCN(c3nnc(C)n3CC[NH+]3CCN(C(C)=O)CC3)CC2)cc(OC)c1 ZINC001504116659 1070840211 /nfs/dbraw/zinc/84/02/11/1070840211.db2.gz LMIKSJAASKYIJZ-UHFFFAOYSA-N 1 2 471.606 1.849 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001496249282 1070840411 /nfs/dbraw/zinc/84/04/11/1070840411.db2.gz KHHGDWIJWQTAQH-OALUTQOASA-N 1 2 485.637 1.116 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502729977 1070840908 /nfs/dbraw/zinc/84/09/08/1070840908.db2.gz UWARRHNUECCZBC-FRQCXROJSA-N 1 2 463.501 1.418 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001496259114 1070841934 /nfs/dbraw/zinc/84/19/34/1070841934.db2.gz SFKARAQIMIGLTG-PWRODBHTSA-N 1 2 489.665 1.610 20 0 JDADLO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCOCC1 ZINC001496650978 1070855406 /nfs/dbraw/zinc/85/54/06/1070855406.db2.gz MFOBLKNBCGDMCQ-LJQANCHMSA-N 1 2 465.624 1.050 20 0 JDADLO COc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CC[NH+]2CCSCC2)c(OC)c1 ZINC001504167396 1070862033 /nfs/dbraw/zinc/86/20/33/1070862033.db2.gz PSUFLNNTDVJMPC-UHFFFAOYSA-N 1 2 469.633 1.492 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@@H]1C)CC2 ZINC001502872627 1070871704 /nfs/dbraw/zinc/87/17/04/1070871704.db2.gz MLPFKHDCHWLQSL-ROUUACIJSA-N 1 2 492.646 1.570 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@@H]1C)CC2 ZINC001502872627 1070871706 /nfs/dbraw/zinc/87/17/06/1070871706.db2.gz MLPFKHDCHWLQSL-ROUUACIJSA-N 1 2 492.646 1.570 20 0 JDADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001502857386 1070868863 /nfs/dbraw/zinc/86/88/63/1070868863.db2.gz SEJCSODRAGNRNE-QUCCMNQESA-N 1 2 499.616 1.293 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001504198669 1070876334 /nfs/dbraw/zinc/87/63/34/1070876334.db2.gz BJVFVTSIIMIRCQ-FQEVSTJZSA-N 1 2 497.644 1.859 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CC(=O)NCC(F)F)cc1 ZINC001504198817 1070876570 /nfs/dbraw/zinc/87/65/70/1070876570.db2.gz DBSMHJJCUFZVIQ-OAHLLOKOSA-N 1 2 491.543 1.124 20 0 JDADLO CCOc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001502912463 1070879539 /nfs/dbraw/zinc/87/95/39/1070879539.db2.gz CXPPYJYXMOAQLT-GOSISDBHSA-N 1 2 458.563 1.255 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001504202148 1070882582 /nfs/dbraw/zinc/88/25/82/1070882582.db2.gz VJGFJINSKHBOIO-GOSISDBHSA-N 1 2 483.617 1.515 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001504201930 1070882684 /nfs/dbraw/zinc/88/26/84/1070882684.db2.gz WOHRWVGRVIXHOV-UHFFFAOYSA-N 1 2 483.617 1.567 20 0 JDADLO COc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001504206178 1070885645 /nfs/dbraw/zinc/88/56/45/1070885645.db2.gz WRRKRTNZEZUNCD-NRFANRHFSA-N 1 2 465.558 1.804 20 0 JDADLO CCOc1ccnc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOC[C@@H]3C)CC2)n1 ZINC001502928227 1070889951 /nfs/dbraw/zinc/88/99/51/1070889951.db2.gz RUEWKXMYRYWKQC-SFHVURJKSA-N 1 2 458.611 1.812 20 0 JDADLO CCOc1ccnc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOC[C@@H]3C)CC2)n1 ZINC001502928227 1070889954 /nfs/dbraw/zinc/88/99/54/1070889954.db2.gz RUEWKXMYRYWKQC-SFHVURJKSA-N 1 2 458.611 1.812 20 0 JDADLO COc1ccc(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001504221071 1070891092 /nfs/dbraw/zinc/89/10/92/1070891092.db2.gz WICGUQPCKKRMBW-RXVVDRJESA-N 1 2 456.591 1.885 20 0 JDADLO CCOC1CC(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)NC(C)C)([NH+]2CCOCC2)C1 ZINC001502937811 1070893366 /nfs/dbraw/zinc/89/33/66/1070893366.db2.gz FORNJBCHNSSXTH-KDARRYODSA-N 1 2 478.638 1.403 20 0 JDADLO CCOC1CC(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(=O)NC(C)C)([NH+]2CCOCC2)C1 ZINC001502937879 1070894190 /nfs/dbraw/zinc/89/41/90/1070894190.db2.gz GMJDNNRXERMSEP-VIHQBZHPSA-N 1 2 478.638 1.750 20 0 JDADLO COc1ccc(CCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001504229803 1070894563 /nfs/dbraw/zinc/89/45/63/1070894563.db2.gz WPWMUZOTFTWLSY-AZUAARDMSA-N 1 2 456.591 1.494 20 0 JDADLO COc1ccc(CCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001504229803 1070894566 /nfs/dbraw/zinc/89/45/66/1070894566.db2.gz WPWMUZOTFTWLSY-AZUAARDMSA-N 1 2 456.591 1.494 20 0 JDADLO CCOC1CC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C)CC2)([NH+]2CCOCC2)C1 ZINC001502939697 1070895489 /nfs/dbraw/zinc/89/54/89/1070895489.db2.gz ZUJQBPNMIWGSNG-MVBMGLOESA-N 1 2 498.694 1.785 20 0 JDADLO COc1ccc(CCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001504231572 1070897534 /nfs/dbraw/zinc/89/75/34/1070897534.db2.gz PVXDCOLHJSQZIS-RBUKOAKNSA-N 1 2 456.591 1.460 20 0 JDADLO CCOCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001502987351 1070940717 /nfs/dbraw/zinc/94/07/17/1070940717.db2.gz IFHIQNJFSWPSMP-QGZVFWFLSA-N 1 2 456.595 1.587 20 0 JDADLO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504259381 1070942813 /nfs/dbraw/zinc/94/28/13/1070942813.db2.gz UDWAFHGDQAVDFZ-UHFFFAOYSA-N 1 2 480.617 1.949 20 0 JDADLO CCOCc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503035755 1070996921 /nfs/dbraw/zinc/99/69/21/1070996921.db2.gz XBIGMHMJKSBRBK-OKZBNKHCSA-N 1 2 452.600 1.885 20 0 JDADLO CCOCc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503035755 1070997005 /nfs/dbraw/zinc/99/70/05/1070997005.db2.gz XBIGMHMJKSBRBK-OKZBNKHCSA-N 1 2 452.600 1.885 20 0 JDADLO CCOCc1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001503037224 1071000511 /nfs/dbraw/zinc/00/05/11/1071000511.db2.gz SLRSVUIUHYBBMU-RXVVDRJESA-N 1 2 471.606 1.788 20 0 JDADLO CCOCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503038150 1071000937 /nfs/dbraw/zinc/00/09/37/1071000937.db2.gz ILURMLCGLFPAOQ-XFGYDDDFSA-N 1 2 450.628 1.613 20 0 JDADLO CCOCc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503041803 1071004535 /nfs/dbraw/zinc/00/45/35/1071004535.db2.gz MMCPOKFEGUSFQT-OAQYLSRUSA-N 1 2 483.617 1.468 20 0 JDADLO CCOCc1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503047662 1071007075 /nfs/dbraw/zinc/00/70/75/1071007075.db2.gz XVKJGDIMFRBDIA-PHBIXPCASA-N 1 2 464.611 1.047 20 0 JDADLO CCOCc1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503048570 1071008150 /nfs/dbraw/zinc/00/81/50/1071008150.db2.gz KDEDTIVNNIUSDI-TVJQWHPQSA-N 1 2 451.612 1.946 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CCO[C@H]3C)CC2)cc1F ZINC001504285740 1071012288 /nfs/dbraw/zinc/01/22/88/1071012288.db2.gz KIHGGMVCNSAVHT-XDHUDOTRSA-N 1 2 490.580 1.426 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CCO[C@H]3C)CC2)cc1F ZINC001504285736 1071012639 /nfs/dbraw/zinc/01/26/39/1071012639.db2.gz KIHGGMVCNSAVHT-BXKMTCNYSA-N 1 2 490.580 1.426 20 0 JDADLO CCOCc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503058669 1071014136 /nfs/dbraw/zinc/01/41/36/1071014136.db2.gz SKXVACQBVGOUHA-ZWKOTPCHSA-N 1 2 452.600 1.886 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncn(C)n2)CC1 ZINC001504292476 1071019425 /nfs/dbraw/zinc/01/94/25/1071019425.db2.gz IQRXXRGHTOVLQG-UHFFFAOYSA-N 1 2 471.541 1.063 20 0 JDADLO COc1ccc(OC(F)F)c(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001504293906 1071020595 /nfs/dbraw/zinc/02/05/95/1071020595.db2.gz BJCJKIHNDZNFOR-UHFFFAOYSA-N 1 2 494.543 1.941 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NC(C)C)CC1 ZINC001504293549 1071021023 /nfs/dbraw/zinc/02/10/23/1071021023.db2.gz WXWMWOGNZRTVSC-SFHVURJKSA-N 1 2 473.553 1.224 20 0 JDADLO CCOCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001503068929 1071024856 /nfs/dbraw/zinc/02/48/56/1071024856.db2.gz WWIHJOJQQXRGDI-MRXNPFEDSA-N 1 2 451.597 1.415 20 0 JDADLO COc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001504298314 1071025008 /nfs/dbraw/zinc/02/50/08/1071025008.db2.gz VHIPTKMVZGZKKK-GOSISDBHSA-N 1 2 453.547 1.980 20 0 JDADLO CCOCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001503068925 1071025116 /nfs/dbraw/zinc/02/51/16/1071025116.db2.gz WWIHJOJQQXRGDI-INIZCTEOSA-N 1 2 451.597 1.415 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503081715 1071030293 /nfs/dbraw/zinc/03/02/93/1071030293.db2.gz OBDZRHDUYGDWNH-SFHVURJKSA-N 1 2 467.578 1.722 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](C(=O)NC)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001503075031 1071027153 /nfs/dbraw/zinc/02/71/53/1071027153.db2.gz BROUUQKGMBTJNV-PKOBYXMFSA-N 1 2 457.579 1.445 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503074762 1071027272 /nfs/dbraw/zinc/02/72/72/1071027272.db2.gz AAGXTCTYGZUMEK-NHCUHLMSSA-N 1 2 456.591 1.678 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503074762 1071027278 /nfs/dbraw/zinc/02/72/78/1071027278.db2.gz AAGXTCTYGZUMEK-NHCUHLMSSA-N 1 2 456.591 1.678 20 0 JDADLO COc1ccc(OC)c(CN(CCO)c2nnc(C)n2Cc2ccc[nH+]c2N2CCOCC2)c1 ZINC001504301264 1071028242 /nfs/dbraw/zinc/02/82/42/1071028242.db2.gz VGOLMLKZHPPYNJ-UHFFFAOYSA-N 1 2 468.558 1.883 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503084160 1071032313 /nfs/dbraw/zinc/03/23/13/1071032313.db2.gz PNOXADMCJWVKPI-FQEVSTJZSA-N 1 2 459.643 1.890 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503084160 1071032321 /nfs/dbraw/zinc/03/23/21/1071032321.db2.gz PNOXADMCJWVKPI-FQEVSTJZSA-N 1 2 459.643 1.890 20 0 JDADLO CCOCc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503090616 1071035468 /nfs/dbraw/zinc/03/54/68/1071035468.db2.gz BCDJYSDCIOELAJ-FQEVSTJZSA-N 1 2 488.608 1.956 20 0 JDADLO CCOCc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503090616 1071035480 /nfs/dbraw/zinc/03/54/80/1071035480.db2.gz BCDJYSDCIOELAJ-FQEVSTJZSA-N 1 2 488.608 1.956 20 0 JDADLO COc1ccc(OCc2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504307078 1071035551 /nfs/dbraw/zinc/03/55/51/1071035551.db2.gz OZVNIVYYGMESOR-JOCHJYFZSA-N 1 2 486.617 1.891 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503097357 1071040758 /nfs/dbraw/zinc/04/07/58/1071040758.db2.gz BKMRGKKKOOOBKU-UHFFFAOYSA-N 1 2 459.595 1.396 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503097357 1071040761 /nfs/dbraw/zinc/04/07/61/1071040761.db2.gz BKMRGKKKOOOBKU-UHFFFAOYSA-N 1 2 459.595 1.396 20 0 JDADLO COc1ccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504316091 1071047309 /nfs/dbraw/zinc/04/73/09/1071047309.db2.gz YZJFVEOHWQDJDU-SFHVURJKSA-N 1 2 474.631 1.972 20 0 JDADLO CCOCc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503105046 1071056544 /nfs/dbraw/zinc/05/65/44/1071056544.db2.gz ZOVGDADFLKQIMR-UHFFFAOYSA-N 1 2 477.560 1.584 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001503106443 1071057502 /nfs/dbraw/zinc/05/75/02/1071057502.db2.gz AGOKTMDSUSYYDX-MBSDFSHPSA-N 1 2 476.647 1.917 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001503106439 1071057619 /nfs/dbraw/zinc/05/76/19/1071057619.db2.gz AGOKTMDSUSYYDX-FDDCHVKYSA-N 1 2 476.647 1.917 20 0 JDADLO COc1cccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)CCS(C)(=O)=O)[NH+](C)C)c1 ZINC001504324106 1071058419 /nfs/dbraw/zinc/05/84/19/1071058419.db2.gz AVDFHKOGAIXURL-RTBURBONSA-N 1 2 451.593 1.922 20 0 JDADLO CCOCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001503107076 1071058768 /nfs/dbraw/zinc/05/87/68/1071058768.db2.gz HVBUVZDXNKRAHN-LJQANCHMSA-N 1 2 482.564 1.723 20 0 JDADLO CCOCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001503107040 1071058976 /nfs/dbraw/zinc/05/89/76/1071058976.db2.gz GRRMOORDFNBKKO-UHFFFAOYSA-N 1 2 494.600 1.755 20 0 JDADLO CCOCc1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503103992 1071055379 /nfs/dbraw/zinc/05/53/79/1071055379.db2.gz MYLDNWRPNRCOOZ-UHFFFAOYSA-N 1 2 455.607 1.614 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001503109240 1071063096 /nfs/dbraw/zinc/06/30/96/1071063096.db2.gz ZCHZLDWHZYKFJQ-IBGZPJMESA-N 1 2 471.606 1.003 20 0 JDADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001503108131 1071060961 /nfs/dbraw/zinc/06/09/61/1071060961.db2.gz ZHBJHVBFZLWALR-HSZRJFAPSA-N 1 2 456.595 1.841 20 0 JDADLO COc1cccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CCS(=O)(=O)CC2)[NH+](C)C)c1 ZINC001504326665 1071061448 /nfs/dbraw/zinc/06/14/48/1071061448.db2.gz XHKOGWGIGQJUML-NRFANRHFSA-N 1 2 470.599 1.810 20 0 JDADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCC(=O)N1CCOCC1 ZINC001503112981 1071071823 /nfs/dbraw/zinc/07/18/23/1071071823.db2.gz IXNXSRLNWBMNNB-UHFFFAOYSA-N 1 2 463.608 1.151 20 0 JDADLO CCOCc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503113342 1071072701 /nfs/dbraw/zinc/07/27/01/1071072701.db2.gz WMNYFNJSQLBRFT-FQEVSTJZSA-N 1 2 471.606 1.296 20 0 JDADLO CCOCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001503113431 1071072769 /nfs/dbraw/zinc/07/27/69/1071072769.db2.gz WUMVHNVLXZZKLC-JOCHJYFZSA-N 1 2 466.652 1.327 20 0 JDADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001503115024 1071075814 /nfs/dbraw/zinc/07/58/14/1071075814.db2.gz DZMLNFKMPHCMLC-GOSISDBHSA-N 1 2 455.625 1.331 20 0 JDADLO CCOCc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503117990 1071083797 /nfs/dbraw/zinc/08/37/97/1071083797.db2.gz RVABGZUPXPEYRW-GOSISDBHSA-N 1 2 496.609 1.185 20 0 JDADLO CCOCc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503117990 1071083810 /nfs/dbraw/zinc/08/38/10/1071083810.db2.gz RVABGZUPXPEYRW-GOSISDBHSA-N 1 2 496.609 1.185 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503121752 1071088542 /nfs/dbraw/zinc/08/85/42/1071088542.db2.gz AMVJGXMZVQCWLR-NHCUHLMSSA-N 1 2 460.627 1.251 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001503122720 1071089041 /nfs/dbraw/zinc/08/90/41/1071089041.db2.gz FKNKVVXSOAYFIY-QFBILLFUSA-N 1 2 466.533 1.737 20 0 JDADLO COc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)c1OC ZINC001504356772 1071089961 /nfs/dbraw/zinc/08/99/61/1071089961.db2.gz XYSDQXOGRLXLBE-UHFFFAOYSA-N 1 2 481.557 1.759 20 0 JDADLO CCOC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503140887 1071097427 /nfs/dbraw/zinc/09/74/27/1071097427.db2.gz JLTZHGZDZULNJP-OAQYLSRUSA-N 1 2 455.607 1.681 20 0 JDADLO CCOC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001503146010 1071101014 /nfs/dbraw/zinc/10/10/14/1071101014.db2.gz QWHGUNDTVGWMEF-LJQANCHMSA-N 1 2 457.579 1.559 20 0 JDADLO COc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504382288 1071114374 /nfs/dbraw/zinc/11/43/74/1071114374.db2.gz NAEVWFNWDUEJFG-UHFFFAOYSA-N 1 2 465.558 1.934 20 0 JDADLO CCOCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503177675 1071123680 /nfs/dbraw/zinc/12/36/80/1071123680.db2.gz DMAQTFAQCRMOQX-OAHLLOKOSA-N 1 2 451.597 1.339 20 0 JDADLO COc1ccccc1-c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCCNC(C)=O ZINC001504389888 1071124931 /nfs/dbraw/zinc/12/49/31/1071124931.db2.gz LANUXDZEYZLAOA-UHFFFAOYSA-N 1 2 450.547 1.905 20 0 JDADLO COc1ccccc1[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504393964 1071129734 /nfs/dbraw/zinc/12/97/34/1071129734.db2.gz PUBPZGHGYUICGE-NSHGMRRFSA-N 1 2 492.646 1.959 20 0 JDADLO COc1ccccc1[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504393964 1071129747 /nfs/dbraw/zinc/12/97/47/1071129747.db2.gz PUBPZGHGYUICGE-NSHGMRRFSA-N 1 2 492.646 1.959 20 0 JDADLO CCOCCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503196298 1071140602 /nfs/dbraw/zinc/14/06/02/1071140602.db2.gz DYDFKWHVHHGLGD-QFIPXVFZSA-N 1 2 472.590 1.818 20 0 JDADLO COc1ccccc1Cc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1c[nH+]ccc1OC ZINC001504406220 1071142475 /nfs/dbraw/zinc/14/24/75/1071142475.db2.gz ZFZBKCGFQCTOAV-GOSISDBHSA-N 1 2 457.556 1.953 20 0 JDADLO COc1ccccc1Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCNC(C)=O ZINC001504412710 1071162574 /nfs/dbraw/zinc/16/25/74/1071162574.db2.gz NRCBSSKUJCUCKY-FQEVSTJZSA-N 1 2 497.644 1.537 20 0 JDADLO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[S@](=O)CC)CC1 ZINC001503218256 1071169689 /nfs/dbraw/zinc/16/96/89/1071169689.db2.gz ZZOVWNSQDWEWNC-GDLZYMKVSA-N 1 2 487.468 1.973 20 0 JDADLO CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001503219455 1071172321 /nfs/dbraw/zinc/17/23/21/1071172321.db2.gz DAHBLEGHZRZWCT-UHFFFAOYSA-N 1 2 457.623 1.918 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503219595 1071173743 /nfs/dbraw/zinc/17/37/43/1071173743.db2.gz FDUPKAJEXZOKBS-CVDCTZTESA-N 1 2 492.646 1.135 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503219595 1071173755 /nfs/dbraw/zinc/17/37/55/1071173755.db2.gz FDUPKAJEXZOKBS-CVDCTZTESA-N 1 2 492.646 1.135 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1CC ZINC001503222038 1071179322 /nfs/dbraw/zinc/17/93/22/1071179322.db2.gz FHUZHZFXOFVHFI-HSALFYBXSA-N 1 2 469.652 1.686 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1CC ZINC001503222038 1071179341 /nfs/dbraw/zinc/17/93/41/1071179341.db2.gz FHUZHZFXOFVHFI-HSALFYBXSA-N 1 2 469.652 1.686 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCS2(=O)=O)C[C@H]1CC ZINC001503222041 1071179619 /nfs/dbraw/zinc/17/96/19/1071179619.db2.gz FHUZHZFXOFVHFI-VAMGGRTRSA-N 1 2 469.652 1.686 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCS2(=O)=O)C[C@H]1CC ZINC001503222041 1071179624 /nfs/dbraw/zinc/17/96/24/1071179624.db2.gz FHUZHZFXOFVHFI-VAMGGRTRSA-N 1 2 469.652 1.686 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503222465 1071181263 /nfs/dbraw/zinc/18/12/63/1071181263.db2.gz GWBQIBQQHGLIFR-UXHICEINSA-N 1 2 496.678 1.162 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503222465 1071181281 /nfs/dbraw/zinc/18/12/81/1071181281.db2.gz GWBQIBQQHGLIFR-UXHICEINSA-N 1 2 496.678 1.162 20 0 JDADLO CCOCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001503223094 1071185973 /nfs/dbraw/zinc/18/59/73/1071185973.db2.gz LOCMLTDQCMTUAH-NHCUHLMSSA-N 1 2 450.628 1.299 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C[C@H]1CC ZINC001503222675 1071183958 /nfs/dbraw/zinc/18/39/58/1071183958.db2.gz IEKBIPLRDMTYPO-YLJYHZDGSA-N 1 2 480.610 1.700 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C[C@H]1CC ZINC001503222675 1071183969 /nfs/dbraw/zinc/18/39/69/1071183969.db2.gz IEKBIPLRDMTYPO-YLJYHZDGSA-N 1 2 480.610 1.700 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504429103 1071189180 /nfs/dbraw/zinc/18/91/80/1071189180.db2.gz MXWAONBRTACVOB-SFHVURJKSA-N 1 2 474.606 1.937 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504429103 1071189197 /nfs/dbraw/zinc/18/91/97/1071189197.db2.gz MXWAONBRTACVOB-SFHVURJKSA-N 1 2 474.606 1.937 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)Cc2cnn(C)c2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504429999 1071190203 /nfs/dbraw/zinc/19/02/03/1071190203.db2.gz ABDPBGANGGGGOE-SFHVURJKSA-N 1 2 455.563 1.956 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)Cc2cnn(C)c2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504429999 1071190206 /nfs/dbraw/zinc/19/02/06/1071190206.db2.gz ABDPBGANGGGGOE-SFHVURJKSA-N 1 2 455.563 1.956 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C[C@@H]1CC ZINC001503223959 1071190622 /nfs/dbraw/zinc/19/06/22/1071190622.db2.gz REAQPNGQZNUZTE-RTWAWAEBSA-N 1 2 483.679 1.934 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C[C@@H]1CC ZINC001503223959 1071190636 /nfs/dbraw/zinc/19/06/36/1071190636.db2.gz REAQPNGQZNUZTE-RTWAWAEBSA-N 1 2 483.679 1.934 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504430886 1071192269 /nfs/dbraw/zinc/19/22/69/1071192269.db2.gz UZNAIGCLEOBIBI-SFHVURJKSA-N 1 2 486.598 1.998 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001504437712 1071203923 /nfs/dbraw/zinc/20/39/23/1071203923.db2.gz JHSZUQONSAPMTE-FQEVSTJZSA-N 1 2 486.617 1.891 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504437713 1071204062 /nfs/dbraw/zinc/20/40/62/1071204062.db2.gz JHSZUQONSAPMTE-HXUWFJFHSA-N 1 2 486.617 1.891 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001504452421 1071222725 /nfs/dbraw/zinc/22/27/25/1071222725.db2.gz BDDLAPMUYFZBQK-KGLIPLIRSA-N 1 2 491.540 1.413 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001504452422 1071222846 /nfs/dbraw/zinc/22/28/46/1071222846.db2.gz BDDLAPMUYFZBQK-UONOGXRCSA-N 1 2 491.540 1.413 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O ZINC001504452687 1071222900 /nfs/dbraw/zinc/22/29/00/1071222900.db2.gz CVOSQNLSDSXTKF-UHFFFAOYSA-N 1 2 467.555 1.931 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001504454407 1071225986 /nfs/dbraw/zinc/22/59/86/1071225986.db2.gz QXVKJGRUJKTWNR-NRFANRHFSA-N 1 2 492.584 1.217 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001504455489 1071230752 /nfs/dbraw/zinc/23/07/52/1071230752.db2.gz AOZPXGAIRBILBZ-LJQANCHMSA-N 1 2 473.603 1.995 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001504454906 1071227815 /nfs/dbraw/zinc/22/78/15/1071227815.db2.gz VOZYZKGUUWEOQD-CYBMUJFWSA-N 1 2 469.468 1.373 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001504455085 1071228542 /nfs/dbraw/zinc/22/85/42/1071228542.db2.gz WQDLGBLSFMBRGA-QGZVFWFLSA-N 1 2 457.579 1.999 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 ZINC001504455103 1071228986 /nfs/dbraw/zinc/22/89/86/1071228986.db2.gz WYGNMPRHTSVCJY-GAJHUEQPSA-N 1 2 486.598 1.747 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 ZINC001504455238 1071229748 /nfs/dbraw/zinc/22/97/48/1071229748.db2.gz YUXPVAIKKAJZGU-QGZVFWFLSA-N 1 2 471.587 1.667 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001504456560 1071231946 /nfs/dbraw/zinc/23/19/46/1071231946.db2.gz VZSZPVYJYXKZFI-UHFFFAOYSA-N 1 2 457.560 1.381 20 0 JDADLO COc1cc[nH+]cc1Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001504457325 1071233220 /nfs/dbraw/zinc/23/32/20/1071233220.db2.gz DCGKTILLQCMNPN-UHFFFAOYSA-N 1 2 490.561 1.920 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 ZINC001504460768 1071239033 /nfs/dbraw/zinc/23/90/33/1071239033.db2.gz WDQJQOQNQCHZEW-NQIIRXRSSA-N 1 2 480.591 1.068 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 ZINC001504460769 1071239570 /nfs/dbraw/zinc/23/95/70/1071239570.db2.gz WDQJQOQNQCHZEW-RXVVDRJESA-N 1 2 480.591 1.068 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001503244141 1071240616 /nfs/dbraw/zinc/24/06/16/1071240616.db2.gz MEOJVRTUZNBLMD-QGZVFWFLSA-N 1 2 463.608 1.468 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 ZINC001504459032 1071236433 /nfs/dbraw/zinc/23/64/33/1071236433.db2.gz HXFNFDLYGCPIPJ-QGZVFWFLSA-N 1 2 487.561 1.317 20 0 JDADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503243286 1071236530 /nfs/dbraw/zinc/23/65/30/1071236530.db2.gz UAPUXVRTOUMZDW-GOSISDBHSA-N 1 2 485.614 1.879 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001503243072 1071236570 /nfs/dbraw/zinc/23/65/70/1071236570.db2.gz JFXWPAFBBZMRMI-IPMKNSEASA-N 1 2 457.641 1.398 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503243072 1071236581 /nfs/dbraw/zinc/23/65/81/1071236581.db2.gz JFXWPAFBBZMRMI-IPMKNSEASA-N 1 2 457.641 1.398 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 ZINC001504459608 1071237378 /nfs/dbraw/zinc/23/73/78/1071237378.db2.gz QKXKPNDBJHMAMY-LJQANCHMSA-N 1 2 492.627 1.803 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001503249643 1071260383 /nfs/dbraw/zinc/26/03/83/1071260383.db2.gz CCTITBVMXTXGAC-MSOLQXFVSA-N 1 2 478.619 1.920 20 0 JDADLO CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC[C@H]1C ZINC001504494441 1071272323 /nfs/dbraw/zinc/27/23/23/1071272323.db2.gz MNVYCSOGIDBGCS-JBYIUTFZSA-N 1 2 466.652 1.485 20 0 JDADLO CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1(C)C ZINC001504506656 1071281750 /nfs/dbraw/zinc/28/17/50/1071281750.db2.gz WYEBSUSQMLYNID-FUHWJXTLSA-N 1 2 477.635 1.793 20 0 JDADLO CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1(C)C ZINC001504506668 1071281888 /nfs/dbraw/zinc/28/18/88/1071281888.db2.gz WYEBSUSQMLYNID-SJLPKXTDSA-N 1 2 477.635 1.793 20 0 JDADLO CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001503260355 1071308178 /nfs/dbraw/zinc/30/81/78/1071308178.db2.gz WQMNKOFKXBBTRI-OAQYLSRUSA-N 1 2 490.674 1.865 20 0 JDADLO CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001503260909 1071310856 /nfs/dbraw/zinc/31/08/56/1071310856.db2.gz XHWVAKAMCZHVOQ-UHFFFAOYSA-N 1 2 481.594 1.732 20 0 JDADLO CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503261251 1071312249 /nfs/dbraw/zinc/31/22/49/1071312249.db2.gz RGOMDPRZXOZKJT-UYAOXDASSA-N 1 2 468.668 1.290 20 0 JDADLO CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503261251 1071312263 /nfs/dbraw/zinc/31/22/63/1071312263.db2.gz RGOMDPRZXOZKJT-UYAOXDASSA-N 1 2 468.668 1.290 20 0 JDADLO CO[C@@H]1COCC[C@H]1Cn1c(CC(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504528946 1071312984 /nfs/dbraw/zinc/31/29/84/1071312984.db2.gz NFCKJADVRAXTKE-YTFSRNRJSA-N 1 2 478.682 1.759 20 0 JDADLO CO[C@H]1COCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504529339 1071313697 /nfs/dbraw/zinc/31/36/97/1071313697.db2.gz ISJZFVOEXNWZSK-UNMCSNQZSA-N 1 2 459.591 1.985 20 0 JDADLO CCS(=O)(=O)CCn1c(N2CC[N@@H+]3CCCC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001503263219 1071318900 /nfs/dbraw/zinc/31/89/00/1071318900.db2.gz ZYUBBUAEPKXMOQ-RXVVDRJESA-N 1 2 455.625 1.428 20 0 JDADLO CCS(=O)(=O)CCn1c(N2CC[N@H+]3CCCC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001503263219 1071318925 /nfs/dbraw/zinc/31/89/25/1071318925.db2.gz ZYUBBUAEPKXMOQ-RXVVDRJESA-N 1 2 455.625 1.428 20 0 JDADLO COCC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001504534524 1071330255 /nfs/dbraw/zinc/33/02/55/1071330255.db2.gz AGQVYCOTALNFLX-GOSISDBHSA-N 1 2 460.554 1.024 20 0 JDADLO COCC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001504534524 1071330278 /nfs/dbraw/zinc/33/02/78/1071330278.db2.gz AGQVYCOTALNFLX-GOSISDBHSA-N 1 2 460.554 1.024 20 0 JDADLO COCC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001504536472 1071340044 /nfs/dbraw/zinc/34/00/44/1071340044.db2.gz CUQKOVQPOWVQQG-UHFFFAOYSA-N 1 2 499.660 1.487 20 0 JDADLO COCC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001504536472 1071340060 /nfs/dbraw/zinc/34/00/60/1071340060.db2.gz CUQKOVQPOWVQQG-UHFFFAOYSA-N 1 2 499.660 1.487 20 0 JDADLO COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504547130 1071373689 /nfs/dbraw/zinc/37/36/89/1071373689.db2.gz CVLQSQRSGSHVOJ-HNNXBMFYSA-N 1 2 485.680 1.648 20 0 JDADLO COCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504550385 1071375055 /nfs/dbraw/zinc/37/50/55/1071375055.db2.gz DZHQXNKFSKNAEJ-UXHICEINSA-N 1 2 477.654 1.133 20 0 JDADLO COCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504550386 1071375210 /nfs/dbraw/zinc/37/52/10/1071375210.db2.gz DZHQXNKFSKNAEJ-VQTJNVASSA-N 1 2 477.654 1.133 20 0 JDADLO COCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504550387 1071375470 /nfs/dbraw/zinc/37/54/70/1071375470.db2.gz DZHQXNKFSKNAEJ-WOJBJXKFSA-N 1 2 477.654 1.133 20 0 JDADLO COCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504553218 1071377054 /nfs/dbraw/zinc/37/70/54/1071377054.db2.gz INOCFYIDBAYGRX-GOSISDBHSA-N 1 2 458.611 1.484 20 0 JDADLO COCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504553220 1071377104 /nfs/dbraw/zinc/37/71/04/1071377104.db2.gz INOCFYIDBAYGRX-SFHVURJKSA-N 1 2 458.611 1.484 20 0 JDADLO COCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504555992 1071379401 /nfs/dbraw/zinc/37/94/01/1071379401.db2.gz XEPIAXJVLXCBSK-HXUWFJFHSA-N 1 2 472.638 1.639 20 0 JDADLO CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503276122 1071388161 /nfs/dbraw/zinc/38/81/61/1071388161.db2.gz RYMHGSGTYHTJRE-UHFFFAOYSA-N 1 2 471.591 1.095 20 0 JDADLO COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001504577945 1071399548 /nfs/dbraw/zinc/39/95/48/1071399548.db2.gz HCTMYGIMOHEWPF-GOSISDBHSA-N 1 2 474.610 1.626 20 0 JDADLO CCS(=O)(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001503279684 1071414139 /nfs/dbraw/zinc/41/41/39/1071414139.db2.gz AHIVBOFILTUJJE-UHFFFAOYSA-N 1 2 489.602 1.512 20 0 JDADLO COC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001504585349 1071414359 /nfs/dbraw/zinc/41/43/59/1071414359.db2.gz RIBPJZAYJSWUOJ-ICSRJNTNSA-N 1 2 473.622 1.514 20 0 JDADLO COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001504585352 1071414455 /nfs/dbraw/zinc/41/44/55/1071414455.db2.gz RIBPJZAYJSWUOJ-UYAOXDASSA-N 1 2 473.622 1.514 20 0 JDADLO COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)OC ZINC001504587553 1071422664 /nfs/dbraw/zinc/42/26/64/1071422664.db2.gz ZGIHGUWCPNEEHV-SFTDATJTSA-N 1 2 477.631 1.472 20 0 JDADLO COC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)OC ZINC001504587550 1071422754 /nfs/dbraw/zinc/42/27/54/1071422754.db2.gz ZGIHGUWCPNEEHV-NHCUHLMSSA-N 1 2 477.631 1.472 20 0 JDADLO CCS(=O)(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503282132 1071435189 /nfs/dbraw/zinc/43/51/89/1071435189.db2.gz JKSBGDXZZSNGTK-UHFFFAOYSA-N 1 2 486.602 1.318 20 0 JDADLO CCS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503283534 1071446627 /nfs/dbraw/zinc/44/66/27/1071446627.db2.gz FFDDDOIIVIMZDE-UHFFFAOYSA-N 1 2 487.605 1.971 20 0 JDADLO COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504606905 1071461194 /nfs/dbraw/zinc/46/11/94/1071461194.db2.gz IBXUBWDRWQBAIH-IPMKNSEASA-N 1 2 452.575 1.290 20 0 JDADLO COC[C@@H](F)Cn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504607565 1071463057 /nfs/dbraw/zinc/46/30/57/1071463057.db2.gz JZUVMIHKMZKUSF-ICSRJNTNSA-N 1 2 459.570 1.381 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(F)(F)C3CCOCC3)cc2)CC1 ZINC001546289867 1071465700 /nfs/dbraw/zinc/46/57/00/1071465700.db2.gz VTYJHVCVANFYDO-UHFFFAOYSA-N 1 2 453.530 1.950 20 0 JDADLO CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001503285648 1071468373 /nfs/dbraw/zinc/46/83/73/1071468373.db2.gz MQTJPZNXSOCUAA-HKBQPEDESA-N 1 2 454.641 1.077 20 0 JDADLO COCC1=CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001504645090 1071508358 /nfs/dbraw/zinc/50/83/58/1071508358.db2.gz POIWYBFZBWHKTC-DEOSSOPVSA-N 1 2 476.622 1.266 20 0 JDADLO COC[C@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001504663939 1071525771 /nfs/dbraw/zinc/52/57/71/1071525771.db2.gz HQZSFRDVVBEDJU-ROUUACIJSA-N 1 2 470.640 1.006 20 0 JDADLO COC[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001504663941 1071525976 /nfs/dbraw/zinc/52/59/76/1071525976.db2.gz HQZSFRDVVBEDJU-ZWKOTPCHSA-N 1 2 470.640 1.006 20 0 JDADLO CCS[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001503325265 1071541447 /nfs/dbraw/zinc/54/14/47/1071541447.db2.gz MEIFFHYQCZDRAS-OKZBNKHCSA-N 1 2 474.697 1.721 20 0 JDADLO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)C[C@@H](C)O1 ZINC001504725791 1071593357 /nfs/dbraw/zinc/59/33/57/1071593357.db2.gz DNCLOCNIZUVZSE-GGPKGHCWSA-N 1 2 463.604 1.757 20 0 JDADLO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)C[C@@H](C)O1 ZINC001504726720 1071594966 /nfs/dbraw/zinc/59/49/66/1071594966.db2.gz HZCWPZDCXJFJGL-KURKYZTESA-N 1 2 464.592 1.318 20 0 JDADLO CN(C)C(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001503367403 1071595114 /nfs/dbraw/zinc/59/51/14/1071595114.db2.gz MYBNANKHSCXFGJ-GOSISDBHSA-N 1 2 489.646 1.450 20 0 JDADLO COC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001504735144 1071609089 /nfs/dbraw/zinc/60/90/89/1071609089.db2.gz KIOCSHACNXWUFR-UYAOXDASSA-N 1 2 454.579 1.889 20 0 JDADLO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCCNc2cccc[nH+]2)CC1 ZINC001503375687 1071615474 /nfs/dbraw/zinc/61/54/74/1071615474.db2.gz GXTKFCPVDAMSIZ-LJQANCHMSA-N 1 2 456.595 1.627 20 0 JDADLO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNc2cccc[nH+]2)CC1 ZINC001503375686 1071615562 /nfs/dbraw/zinc/61/55/62/1071615562.db2.gz GXTKFCPVDAMSIZ-IBGZPJMESA-N 1 2 456.595 1.627 20 0 JDADLO CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001503376027 1071617035 /nfs/dbraw/zinc/61/70/35/1071617035.db2.gz DSYMLUVGKSTEDV-UHFFFAOYSA-N 1 2 496.591 1.716 20 0 JDADLO CN(C)C(=O)COc1cccc(Cn2c(-c3cccnc3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001503376413 1071619968 /nfs/dbraw/zinc/61/99/68/1071619968.db2.gz KWEFCLKPJDFGOR-UHFFFAOYSA-N 1 2 479.585 1.624 20 0 JDADLO COCC[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001504748200 1071625532 /nfs/dbraw/zinc/62/55/32/1071625532.db2.gz CJIVWDBGQHJGLA-GAJHUEQPSA-N 1 2 460.579 1.423 20 0 JDADLO COCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001504751928 1071634483 /nfs/dbraw/zinc/63/44/83/1071634483.db2.gz GXJMBRNHWFRKPB-HOYKHHGWSA-N 1 2 471.606 1.225 20 0 JDADLO COCC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001504751819 1071634638 /nfs/dbraw/zinc/63/46/38/1071634638.db2.gz OIQURVYECYOBFX-UUOWRZLLSA-N 1 2 456.591 1.522 20 0 JDADLO C[NH+](C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001503379824 1071634845 /nfs/dbraw/zinc/63/48/45/1071634845.db2.gz MZZLZGGFXIEONT-OALUTQOASA-N 1 2 483.598 1.852 20 0 JDADLO C[NH+](C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001503379828 1071635094 /nfs/dbraw/zinc/63/50/94/1071635094.db2.gz MZZLZGGFXIEONT-RTBURBONSA-N 1 2 483.598 1.852 20 0 JDADLO COCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504752496 1071635871 /nfs/dbraw/zinc/63/58/71/1071635871.db2.gz BHNIGKJAROKVJM-NMMYMHLASA-N 1 2 478.638 1.093 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1)c1c(F)cccc1F ZINC001503381907 1071637478 /nfs/dbraw/zinc/63/74/78/1071637478.db2.gz MSJRIRPDRGRMOW-MSOLQXFVSA-N 1 2 484.573 1.792 20 0 JDADLO COCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001504755740 1071643299 /nfs/dbraw/zinc/64/32/99/1071643299.db2.gz KOSQSDRABWYEFF-QPPBQGQZSA-N 1 2 491.658 1.332 20 0 JDADLO COCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504756121 1071643953 /nfs/dbraw/zinc/64/39/53/1071643953.db2.gz LVMWLPDSQGZXJE-UWJYYQICSA-N 1 2 450.609 1.657 20 0 JDADLO CN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001503388938 1071647300 /nfs/dbraw/zinc/64/73/00/1071647300.db2.gz UEMDPLHJIGYNEL-ARFHVFGLSA-N 1 2 452.606 1.217 20 0 JDADLO CN(C)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)c[nH+]1 ZINC001503393274 1071653103 /nfs/dbraw/zinc/65/31/03/1071653103.db2.gz IBMCTLVEPXWYFD-UHFFFAOYSA-N 1 2 487.605 1.989 20 0 JDADLO COCC[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504781359 1071669991 /nfs/dbraw/zinc/66/99/91/1071669991.db2.gz WDNQBYXZHIGFEC-QPPBQGQZSA-N 1 2 478.638 1.346 20 0 JDADLO COCC[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001504783903 1071671606 /nfs/dbraw/zinc/67/16/06/1071671606.db2.gz WWFFONAGXDHXAR-ZWKOTPCHSA-N 1 2 477.635 1.795 20 0 JDADLO COCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504799623 1071678329 /nfs/dbraw/zinc/67/83/29/1071678329.db2.gz CSLUAHHOOLXTPQ-LJQANCHMSA-N 1 2 482.626 1.782 20 0 JDADLO CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCSCC1)[C@H]1CCOC1 ZINC001503412011 1071700010 /nfs/dbraw/zinc/70/00/10/1071700010.db2.gz AWOQUNXPQJDVMQ-KRWDZBQOSA-N 1 2 451.618 1.623 20 0 JDADLO COCCCN(c1nnc(C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001504818478 1071700685 /nfs/dbraw/zinc/70/06/85/1071700685.db2.gz NDRIRPINCLXBSO-ZIFCJYIRSA-N 1 2 457.641 1.504 20 0 JDADLO COCCCN(c1nnc(C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001504818478 1071700687 /nfs/dbraw/zinc/70/06/87/1071700687.db2.gz NDRIRPINCLXBSO-ZIFCJYIRSA-N 1 2 457.641 1.504 20 0 JDADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCS2)CC1 ZINC001504830124 1071712890 /nfs/dbraw/zinc/71/28/90/1071712890.db2.gz BGEWKLPGFSEMOJ-OALUTQOASA-N 1 2 475.663 1.842 20 0 JDADLO CN(c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001503432905 1071728732 /nfs/dbraw/zinc/72/87/32/1071728732.db2.gz QZPCUCSUKZHUGK-GOSISDBHSA-N 1 2 462.620 1.770 20 0 JDADLO COCCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001504839125 1071738105 /nfs/dbraw/zinc/73/81/05/1071738105.db2.gz BJALBUMTZFMVCD-UHFFFAOYSA-N 1 2 452.519 1.288 20 0 JDADLO COCCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001504835546 1071734914 /nfs/dbraw/zinc/73/49/14/1071734914.db2.gz ZQSYQAIBHGTZKU-HXUWFJFHSA-N 1 2 471.606 1.660 20 0 JDADLO CN(CC(=O)N1CCOCC1)c1nnc(-c2cnccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001503438051 1071745206 /nfs/dbraw/zinc/74/52/06/1071745206.db2.gz RVTFXOVCIKQOJO-LJQANCHMSA-N 1 2 486.527 1.611 20 0 JDADLO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001503438262 1071746756 /nfs/dbraw/zinc/74/67/56/1071746756.db2.gz WJRCHUZRNLMBHH-ZWKOTPCHSA-N 1 2 491.543 1.105 20 0 JDADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1CCNS(C)(=O)=O ZINC001503448497 1071767864 /nfs/dbraw/zinc/76/78/64/1071767864.db2.gz FDWHWLSOVCUWTO-QGZVFWFLSA-N 1 2 484.692 1.987 20 0 JDADLO CN(CC(C)(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1cccc[nH+]1 ZINC001503447478 1071765913 /nfs/dbraw/zinc/76/59/13/1071765913.db2.gz BZLNMJYJXLOKKT-KRWDZBQOSA-N 1 2 465.624 1.991 20 0 JDADLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CC1([S@@](C)=O)CC1 ZINC001503448651 1071769138 /nfs/dbraw/zinc/76/91/38/1071769138.db2.gz HCTUZUWOTWAWFK-WTPASJBYSA-N 1 2 453.653 1.878 20 0 JDADLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CC1([S@@](C)=O)CC1 ZINC001503449097 1071769779 /nfs/dbraw/zinc/76/97/79/1071769779.db2.gz ONBGEWHARVNBGV-JGCGQSQUSA-N 1 2 466.652 1.106 20 0 JDADLO CN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001503483491 1071802114 /nfs/dbraw/zinc/80/21/14/1071802114.db2.gz ABHWLQUKUYKJQY-FQEVSTJZSA-N 1 2 492.646 1.358 20 0 JDADLO COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001504893810 1071818925 /nfs/dbraw/zinc/81/89/25/1071818925.db2.gz LIZPIMRHDYBLRB-LJQANCHMSA-N 1 2 499.037 1.233 20 0 JDADLO COCC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001504911324 1071867142 /nfs/dbraw/zinc/86/71/42/1071867142.db2.gz VHRUKDDTEWWEHI-APYJYERMSA-N 1 2 469.652 1.388 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C[C@H]1C ZINC001504911529 1071867729 /nfs/dbraw/zinc/86/77/29/1071867729.db2.gz VNBIBLCMXLKFEM-XXBNENTESA-N 1 2 461.611 1.681 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C[C@H]1C ZINC001504911529 1071867734 /nfs/dbraw/zinc/86/77/34/1071867734.db2.gz VNBIBLCMXLKFEM-XXBNENTESA-N 1 2 461.611 1.681 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C[C@@H]1C ZINC001504911523 1071867757 /nfs/dbraw/zinc/86/77/57/1071867757.db2.gz VNBIBLCMXLKFEM-CVDCTZTESA-N 1 2 461.611 1.681 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C[C@@H]1C ZINC001504911523 1071867763 /nfs/dbraw/zinc/86/77/63/1071867763.db2.gz VNBIBLCMXLKFEM-CVDCTZTESA-N 1 2 461.611 1.681 20 0 JDADLO CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC001503595686 1071871691 /nfs/dbraw/zinc/87/16/91/1071871691.db2.gz PIRSXWFQSWJJGW-KRWDZBQOSA-N 1 2 465.599 1.255 20 0 JDADLO CN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)CC(F)(F)F ZINC001503597513 1071873734 /nfs/dbraw/zinc/87/37/34/1071873734.db2.gz GSZVGCTVBVCSRJ-INIZCTEOSA-N 1 2 480.601 1.985 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001504920243 1071892344 /nfs/dbraw/zinc/89/23/44/1071892344.db2.gz PKBCRCHEMXHBMX-VSKRKVRLSA-N 1 2 464.655 1.686 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001504920243 1071892346 /nfs/dbraw/zinc/89/23/46/1071892346.db2.gz PKBCRCHEMXHBMX-VSKRKVRLSA-N 1 2 464.655 1.686 20 0 JDADLO COCCN1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1=O ZINC001504921155 1071895077 /nfs/dbraw/zinc/89/50/77/1071895077.db2.gz ZQUKLTHLIPFVFH-QFIPXVFZSA-N 1 2 470.618 1.845 20 0 JDADLO COCCN1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CC1=O ZINC001504921151 1071895132 /nfs/dbraw/zinc/89/51/32/1071895132.db2.gz ZQUKLTHLIPFVFH-JOCHJYFZSA-N 1 2 470.618 1.845 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCCC1 ZINC001503618095 1071903770 /nfs/dbraw/zinc/90/37/70/1071903770.db2.gz FGIAPIYKYRKYMX-UHFFFAOYSA-N 1 2 461.611 1.075 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(C)(=O)=O ZINC001503618218 1071904071 /nfs/dbraw/zinc/90/40/71/1071904071.db2.gz HKPPCSWLSFHBES-UHFFFAOYSA-N 1 2 462.620 1.066 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001503618232 1071904269 /nfs/dbraw/zinc/90/42/69/1071904269.db2.gz GFUKAFABHFGMRG-RBUKOAKNSA-N 1 2 491.637 1.645 20 0 JDADLO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503618328 1071904990 /nfs/dbraw/zinc/90/49/90/1071904990.db2.gz GJJLMBSZHGYOOV-UHFFFAOYSA-N 1 2 457.623 1.998 20 0 JDADLO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503618328 1071904999 /nfs/dbraw/zinc/90/49/99/1071904999.db2.gz GJJLMBSZHGYOOV-UHFFFAOYSA-N 1 2 457.623 1.998 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(C)c1 ZINC001503618742 1071906564 /nfs/dbraw/zinc/90/65/64/1071906564.db2.gz OLASOOSKKUJFNI-UHFFFAOYSA-N 1 2 463.384 1.596 20 0 JDADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1nnc(-c2cccn2C)n1CCCS(C)(=O)=O ZINC001503616730 1071901134 /nfs/dbraw/zinc/90/11/34/1071901134.db2.gz VZQCEFQIROOLIP-UHFFFAOYSA-N 1 2 485.658 1.977 20 0 JDADLO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CC=CCO2)c1 ZINC001503617817 1071902986 /nfs/dbraw/zinc/90/29/86/1071902986.db2.gz CNMOSXPOCAGNQM-FQEVSTJZSA-N 1 2 490.630 1.309 20 0 JDADLO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CC=CCO2)c1 ZINC001503617818 1071903197 /nfs/dbraw/zinc/90/31/97/1071903197.db2.gz CNMOSXPOCAGNQM-HXUWFJFHSA-N 1 2 490.630 1.309 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001503617717 1071903320 /nfs/dbraw/zinc/90/33/20/1071903320.db2.gz CDZJPVJUVGKMFH-IBGZPJMESA-N 1 2 470.622 1.718 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(C)(=O)=O ZINC001503619376 1071908110 /nfs/dbraw/zinc/90/81/10/1071908110.db2.gz GYDDNNXKPQXSSL-UHFFFAOYSA-N 1 2 460.963 1.055 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C1CC1 ZINC001503619158 1071908351 /nfs/dbraw/zinc/90/83/51/1071908351.db2.gz UHBHSONRBVIYEY-UHFFFAOYSA-N 1 2 466.384 1.330 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001503619204 1071908570 /nfs/dbraw/zinc/90/85/70/1071908570.db2.gz NHFUHNCMLVUKLV-UHFFFAOYSA-N 1 2 491.522 1.953 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001503619805 1071909824 /nfs/dbraw/zinc/90/98/24/1071909824.db2.gz LZPJJKYIEFQIDI-UHFFFAOYSA-N 1 2 457.579 1.975 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001503620393 1071911413 /nfs/dbraw/zinc/91/14/13/1071911413.db2.gz XQWGSYKZXZAWIX-LJQANCHMSA-N 1 2 483.539 1.762 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC1CCCCC1 ZINC001503620564 1071912074 /nfs/dbraw/zinc/91/20/74/1071912074.db2.gz DPZKIFXBTLPYPN-UHFFFAOYSA-N 1 2 489.646 1.487 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001503621069 1071914486 /nfs/dbraw/zinc/91/44/86/1071914486.db2.gz MOFAMAYBZKZUFA-QZTJIDSGSA-N 1 2 462.620 1.589 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001503621071 1071914695 /nfs/dbraw/zinc/91/46/95/1071914695.db2.gz MOFAMAYBZKZUFA-ZWKOTPCHSA-N 1 2 462.620 1.589 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O ZINC001503621456 1071916534 /nfs/dbraw/zinc/91/65/34/1071916534.db2.gz PETNYJUOCFBWHY-RTBURBONSA-N 1 2 484.667 1.001 20 0 JDADLO COCCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001504926392 1071918270 /nfs/dbraw/zinc/91/82/70/1071918270.db2.gz LCSWOHRJPFNFBP-FQEVSTJZSA-N 1 2 488.658 1.895 20 0 JDADLO COCCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001504926392 1071918291 /nfs/dbraw/zinc/91/82/91/1071918291.db2.gz LCSWOHRJPFNFBP-FQEVSTJZSA-N 1 2 488.658 1.895 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001504928264 1071926885 /nfs/dbraw/zinc/92/68/85/1071926885.db2.gz ADTIUOQWQVQROH-HSALFYBXSA-N 1 2 464.655 1.955 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(C2CCCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503623945 1071929382 /nfs/dbraw/zinc/92/93/82/1071929382.db2.gz LFLHAQZQMRHLCQ-NRFANRHFSA-N 1 2 476.647 1.822 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(C2CCCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503623945 1071929387 /nfs/dbraw/zinc/92/93/87/1071929387.db2.gz LFLHAQZQMRHLCQ-NRFANRHFSA-N 1 2 476.647 1.822 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001503624448 1071931932 /nfs/dbraw/zinc/93/19/32/1071931932.db2.gz VYCARZQWPZVMKQ-SFHVURJKSA-N 1 2 490.634 1.038 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001504930659 1071935223 /nfs/dbraw/zinc/93/52/23/1071935223.db2.gz JNNFHBPISZFAGV-RZUBCFFCSA-N 1 2 485.633 1.352 20 0 JDADLO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504930465 1071934267 /nfs/dbraw/zinc/93/42/67/1071934267.db2.gz JIBQIUFBQYEHNK-FPOVZHCZSA-N 1 2 477.654 1.008 20 0 JDADLO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503635730 1071948010 /nfs/dbraw/zinc/94/80/10/1071948010.db2.gz LJIJFMRIUPKVLW-SFHVURJKSA-N 1 2 464.592 1.280 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001504934367 1071951263 /nfs/dbraw/zinc/95/12/63/1071951263.db2.gz WVAWGQLWZGOHEG-XUVXKRRUSA-N 1 2 450.628 1.565 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001504934916 1071954636 /nfs/dbraw/zinc/95/46/36/1071954636.db2.gz VZKSJRXGGTXXPV-VNTMZGSJSA-N 1 2 464.611 1.218 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001504934916 1071954642 /nfs/dbraw/zinc/95/46/42/1071954642.db2.gz VZKSJRXGGTXXPV-VNTMZGSJSA-N 1 2 464.611 1.218 20 0 JDADLO CN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503637515 1071953816 /nfs/dbraw/zinc/95/38/16/1071953816.db2.gz MOHBGIURPVOXLH-UHFFFAOYSA-N 1 2 488.589 1.769 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001504935769 1071959351 /nfs/dbraw/zinc/95/93/51/1071959351.db2.gz KPZABHPJQTXBFH-UHFFFAOYSA-N 1 2 467.578 1.167 20 0 JDADLO COCCO[C@@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504941993 1071985007 /nfs/dbraw/zinc/98/50/07/1071985007.db2.gz HLVWGQOOWSZEGL-MOPGFXCFSA-N 1 2 467.611 1.845 20 0 JDADLO COCCO[C@@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@H+]1CCOC[C@H]1C ZINC001504941993 1071985014 /nfs/dbraw/zinc/98/50/14/1071985014.db2.gz HLVWGQOOWSZEGL-MOPGFXCFSA-N 1 2 467.611 1.845 20 0 JDADLO COCCO[C@@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504941994 1071985086 /nfs/dbraw/zinc/98/50/86/1071985086.db2.gz HLVWGQOOWSZEGL-OALUTQOASA-N 1 2 467.611 1.845 20 0 JDADLO COCCO[C@@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504941994 1071985093 /nfs/dbraw/zinc/98/50/93/1071985093.db2.gz HLVWGQOOWSZEGL-OALUTQOASA-N 1 2 467.611 1.845 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001504957868 1072002673 /nfs/dbraw/zinc/00/26/73/1072002673.db2.gz NFGNLNNLSLXIRF-QGZVFWFLSA-N 1 2 451.568 1.256 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001504958549 1072003258 /nfs/dbraw/zinc/00/32/58/1072003258.db2.gz OFGUZXNBGFGRER-IEBWSBKVSA-N 1 2 457.579 1.747 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001504961732 1072007530 /nfs/dbraw/zinc/00/75/30/1072007530.db2.gz ZKYFLYZMPXEYIT-IEBWSBKVSA-N 1 2 457.579 1.747 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001504969152 1072017926 /nfs/dbraw/zinc/01/79/26/1072017926.db2.gz BMNUUBQZYXULLM-FGTMMUONSA-N 1 2 466.608 1.708 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001504971334 1072022453 /nfs/dbraw/zinc/02/24/53/1072022453.db2.gz PASNVURGMFNDEI-FUHWJXTLSA-N 1 2 492.577 1.999 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001504971333 1072022473 /nfs/dbraw/zinc/02/24/73/1072022473.db2.gz PASNVURGMFNDEI-AEFFLSMTSA-N 1 2 492.577 1.999 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001504971338 1072022582 /nfs/dbraw/zinc/02/25/82/1072022582.db2.gz PASNVURGMFNDEI-WMZOPIPTSA-N 1 2 492.577 1.999 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504970114 1072020253 /nfs/dbraw/zinc/02/02/53/1072020253.db2.gz XQAUPJSDKKEATI-VGSWGCGISA-N 1 2 478.619 1.526 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504970102 1072020542 /nfs/dbraw/zinc/02/05/42/1072020542.db2.gz XQAUPJSDKKEATI-HTAPYJJXSA-N 1 2 478.619 1.526 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001503687617 1072021251 /nfs/dbraw/zinc/02/12/51/1072021251.db2.gz FMLXRKSCMLICBB-UHFFFAOYSA-N 1 2 499.616 1.282 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCc3ccc(O)cc3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504970703 1072021353 /nfs/dbraw/zinc/02/13/53/1072021353.db2.gz DESCFYRAVMDCDI-GOSISDBHSA-N 1 2 472.590 1.435 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001504971336 1072022739 /nfs/dbraw/zinc/02/27/39/1072022739.db2.gz PASNVURGMFNDEI-SJLPKXTDSA-N 1 2 492.577 1.999 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[C@@H]1COCCO1 ZINC001504970914 1072021947 /nfs/dbraw/zinc/02/19/47/1072021947.db2.gz AJBLAUYYRYUVRT-PKOBYXMFSA-N 1 2 460.579 1.831 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@]1(C)COCCO1 ZINC001504972709 1072024744 /nfs/dbraw/zinc/02/47/44/1072024744.db2.gz HJILOHDNFXTGRS-HXOBKFHXSA-N 1 2 460.579 1.831 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001504979618 1072029433 /nfs/dbraw/zinc/02/94/33/1072029433.db2.gz MMOUTVWLWMPQGV-KKLQWCBXSA-N 1 2 496.678 1.315 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504983228 1072033089 /nfs/dbraw/zinc/03/30/89/1072033089.db2.gz KEZCKFBSWWQJOA-MSOLQXFVSA-N 1 2 478.560 1.797 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001504983235 1072033116 /nfs/dbraw/zinc/03/31/16/1072033116.db2.gz KEZCKFBSWWQJOA-ROUUACIJSA-N 1 2 478.560 1.797 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504984276 1072034405 /nfs/dbraw/zinc/03/44/05/1072034405.db2.gz UAJZRPQDBSPTDA-IFMALSPDSA-N 1 2 488.637 1.513 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCc1cn2ccccc2[nH+]1 ZINC001504985943 1072036071 /nfs/dbraw/zinc/03/60/71/1072036071.db2.gz BORIKMCHUFDBEV-ZWKOTPCHSA-N 1 2 455.563 1.950 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001504987267 1072038967 /nfs/dbraw/zinc/03/89/67/1072038967.db2.gz JENVXJZXBNLLHS-MOPGFXCFSA-N 1 2 487.605 1.339 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001504987233 1072039035 /nfs/dbraw/zinc/03/90/35/1072039035.db2.gz INKIYYLYRFUYRB-RBUKOAKNSA-N 1 2 487.605 1.339 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001504987268 1072039629 /nfs/dbraw/zinc/03/96/29/1072039629.db2.gz JENVXJZXBNLLHS-OALUTQOASA-N 1 2 487.605 1.339 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503701819 1072042636 /nfs/dbraw/zinc/04/26/36/1072042636.db2.gz QDHDZTCHMAYOBJ-IBGZPJMESA-N 1 2 482.633 1.169 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001504989579 1072044649 /nfs/dbraw/zinc/04/46/49/1072044649.db2.gz SBNRZKDRWHZPHW-GOSISDBHSA-N 1 2 453.547 1.905 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504997414 1072070751 /nfs/dbraw/zinc/07/07/51/1072070751.db2.gz XYFATPHHVACHLC-DLBZAZTESA-N 1 2 464.533 1.407 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504997414 1072070762 /nfs/dbraw/zinc/07/07/62/1072070762.db2.gz XYFATPHHVACHLC-DLBZAZTESA-N 1 2 464.533 1.407 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505007107 1072087839 /nfs/dbraw/zinc/08/78/39/1072087839.db2.gz SQBXBJAHFWMBHT-NQIIRXRSSA-N 1 2 476.578 1.337 20 0 JDADLO COCCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001505019107 1072106615 /nfs/dbraw/zinc/10/66/15/1072106615.db2.gz XKYGYGJRFVOKQO-IBGZPJMESA-N 1 2 487.605 1.668 20 0 JDADLO COCCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001505019107 1072106638 /nfs/dbraw/zinc/10/66/38/1072106638.db2.gz XKYGYGJRFVOKQO-IBGZPJMESA-N 1 2 487.605 1.668 20 0 JDADLO COCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001505016676 1072104155 /nfs/dbraw/zinc/10/41/55/1072104155.db2.gz GRRDRBZVEIOZEF-GOSISDBHSA-N 1 2 452.600 1.159 20 0 JDADLO COCCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001505031057 1072124026 /nfs/dbraw/zinc/12/40/26/1072124026.db2.gz GSKGLEPYOIIBOT-KZNAEPCWSA-N 1 2 483.660 1.786 20 0 JDADLO COCCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001505033460 1072128358 /nfs/dbraw/zinc/12/83/58/1072128358.db2.gz LYSGZIBYUMZKII-JOCHJYFZSA-N 1 2 491.036 1.928 20 0 JDADLO COCCOCCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001505050368 1072147560 /nfs/dbraw/zinc/14/75/60/1072147560.db2.gz PVFQPCVNPLSGCA-LJQANCHMSA-N 1 2 459.595 1.080 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC(N)=O)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001505056288 1072158052 /nfs/dbraw/zinc/15/80/52/1072158052.db2.gz GTSIKUZYWALREM-MDKPJZGXSA-N 1 2 453.547 1.936 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001505056950 1072159275 /nfs/dbraw/zinc/15/92/75/1072159275.db2.gz NMNPHZYCOVAFMG-LMNJBCLMSA-N 1 2 492.646 1.915 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001505054967 1072155748 /nfs/dbraw/zinc/15/57/48/1072155748.db2.gz JGTQBMXDXYQCEM-SCTDSRPQSA-N 1 2 464.592 1.523 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccs2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505063636 1072164799 /nfs/dbraw/zinc/16/47/99/1072164799.db2.gz ZWIBGZRDTNPQMW-ICSRJNTNSA-N 1 2 462.620 1.864 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCN2CCOCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001505064360 1072166167 /nfs/dbraw/zinc/16/61/67/1072166167.db2.gz QDTIWJZXNWCDSX-FPOVZHCZSA-N 1 2 459.595 1.280 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)F)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505075044 1072187774 /nfs/dbraw/zinc/18/77/74/1072187774.db2.gz WMYNAYRYHWRXMF-FHWLQOOXSA-N 1 2 470.565 1.648 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CNC(C)=O)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001505081855 1072210398 /nfs/dbraw/zinc/21/03/98/1072210398.db2.gz PHDIZKFMUKPHPA-SFTDATJTSA-N 1 2 478.638 1.465 20 0 JDADLO CS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001505134853 1072315707 /nfs/dbraw/zinc/31/57/07/1072315707.db2.gz FREYTGOVDQCYON-INIZCTEOSA-N 1 2 483.557 1.655 20 0 JDADLO CS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001505135743 1072318727 /nfs/dbraw/zinc/31/87/27/1072318727.db2.gz YXZXGCUGJFGBRU-UHFFFAOYSA-N 1 2 463.604 1.245 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)COc3c(C)occc3=O)cc2)CC1 ZINC001464743402 1067646059 /nfs/dbraw/zinc/64/60/59/1067646059.db2.gz BXLXKZIXCYFZHM-UHFFFAOYSA-N 1 2 457.527 1.229 20 0 JDADLO CC(=O)Nc1cccnc1C(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001464749914 1067647744 /nfs/dbraw/zinc/64/77/44/1067647744.db2.gz UXTVOKVVISONEU-UHFFFAOYSA-N 1 2 453.543 1.555 20 0 JDADLO C[C@H](NC(=O)CCC(=O)N(C)CC[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1 ZINC001464795692 1067658792 /nfs/dbraw/zinc/65/87/92/1067658792.db2.gz XJBKLFGWGDJTGZ-HNNXBMFYSA-N 1 2 454.365 1.707 20 0 JDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc2c(cc1Br)NC(=O)CO2 ZINC001464868696 1067679130 /nfs/dbraw/zinc/67/91/30/1067679130.db2.gz JHNGIPHHPKVOKN-UHFFFAOYSA-N 1 2 450.293 1.561 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)n[nH]2)C1 ZINC001464871320 1067680190 /nfs/dbraw/zinc/68/01/90/1067680190.db2.gz PEYVHSDLCPBVIO-MRXNPFEDSA-N 1 2 459.551 1.915 20 0 JDADLO CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC001464895151 1067689445 /nfs/dbraw/zinc/68/94/45/1067689445.db2.gz PBGWMXQKIXIUKC-LJQANCHMSA-N 1 2 452.596 1.559 20 0 JDADLO CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC001464895151 1067689449 /nfs/dbraw/zinc/68/94/49/1067689449.db2.gz PBGWMXQKIXIUKC-LJQANCHMSA-N 1 2 452.596 1.559 20 0 JDADLO Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001464903777 1067694455 /nfs/dbraw/zinc/69/44/55/1067694455.db2.gz GFAIZVWICYFYFI-UHFFFAOYSA-N 1 2 456.609 1.597 20 0 JDADLO CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001464903877 1067694768 /nfs/dbraw/zinc/69/47/68/1067694768.db2.gz GPXAURBPZGVUTL-GOSISDBHSA-N 1 2 454.593 1.143 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001464905617 1067695292 /nfs/dbraw/zinc/69/52/92/1067695292.db2.gz OGHJTPHTINSESZ-KRWDZBQOSA-N 1 2 456.008 1.817 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001464910939 1067700286 /nfs/dbraw/zinc/70/02/86/1067700286.db2.gz PCCVXLAQQOBLIF-UHFFFAOYSA-N 1 2 450.565 1.890 20 0 JDADLO CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCC[N@H+](CC(N)=O)C3)CC2)cc1 ZINC001464922275 1067702250 /nfs/dbraw/zinc/70/22/50/1067702250.db2.gz FVOPAKDPWSNYCF-IBGZPJMESA-N 1 2 450.605 1.277 20 0 JDADLO CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)cc1 ZINC001464922275 1067702261 /nfs/dbraw/zinc/70/22/61/1067702261.db2.gz FVOPAKDPWSNYCF-IBGZPJMESA-N 1 2 450.605 1.277 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC001464972627 1067718084 /nfs/dbraw/zinc/71/80/84/1067718084.db2.gz QXHXYQBANQVRMN-NRFANRHFSA-N 1 2 454.593 1.501 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC001464972627 1067718097 /nfs/dbraw/zinc/71/80/97/1067718097.db2.gz QXHXYQBANQVRMN-NRFANRHFSA-N 1 2 454.593 1.501 20 0 JDADLO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001464993689 1067722236 /nfs/dbraw/zinc/72/22/36/1067722236.db2.gz ZUOQOGJEYQKVQM-KRWDZBQOSA-N 1 2 455.625 1.873 20 0 JDADLO COC(=O)c1cn(C2CCN(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC001465000663 1067724967 /nfs/dbraw/zinc/72/49/67/1067724967.db2.gz AQBZIXKBDPOMMK-UHFFFAOYSA-N 1 2 455.519 1.321 20 0 JDADLO C[C@@H]1CCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C[C@@H]1NC(=O)C(F)(F)F ZINC001465007974 1067727595 /nfs/dbraw/zinc/72/75/95/1067727595.db2.gz XHPWOKNSDXWHPQ-PBHICJAKSA-N 1 2 455.481 1.995 20 0 JDADLO NC(=O)C1CC2(C1)C[C@@H](NC(=O)Nc1nc(C[NH+]3CCCCC3)cs1)CCS2(=O)=O ZINC001465018520 1067728781 /nfs/dbraw/zinc/72/87/81/1067728781.db2.gz DBLUBZPCWLTRHS-BIWSTMPVSA-N 1 2 455.606 1.462 20 0 JDADLO C[C@@H](NC(=O)CCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(=O)c1ccc(Br)cc1 ZINC001465080460 1067740346 /nfs/dbraw/zinc/74/03/46/1067740346.db2.gz ZIEADCKBKQAEEZ-PBHICJAKSA-N 1 2 453.381 1.279 20 0 JDADLO C[C@@H](NC(=O)CCC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(=O)c1ccc(Br)cc1 ZINC001465080460 1067740355 /nfs/dbraw/zinc/74/03/55/1067740355.db2.gz ZIEADCKBKQAEEZ-PBHICJAKSA-N 1 2 453.381 1.279 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001465207979 1067761506 /nfs/dbraw/zinc/76/15/06/1067761506.db2.gz URGNMAFHYRBEKJ-LPHOPBHVSA-N 1 2 453.609 1.626 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001465207979 1067761517 /nfs/dbraw/zinc/76/15/17/1067761517.db2.gz URGNMAFHYRBEKJ-LPHOPBHVSA-N 1 2 453.609 1.626 20 0 JDADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1=O ZINC001465312017 1067777670 /nfs/dbraw/zinc/77/76/70/1067777670.db2.gz ZAKVUVMBRPYHEH-OSPHWJPCSA-N 1 2 451.527 1.763 20 0 JDADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1=O ZINC001465312015 1067777863 /nfs/dbraw/zinc/77/78/63/1067777863.db2.gz ZAKVUVMBRPYHEH-BXKMTCNYSA-N 1 2 451.527 1.763 20 0 JDADLO COc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(SC)cc1OC ZINC001465323839 1067780503 /nfs/dbraw/zinc/78/05/03/1067780503.db2.gz ZIPJYFDACLNJND-QGZVFWFLSA-N 1 2 451.589 1.565 20 0 JDADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465377816 1067789987 /nfs/dbraw/zinc/78/99/87/1067789987.db2.gz HNHQLRIIKXSPKR-FQEVSTJZSA-N 1 2 459.978 1.865 20 0 JDADLO O=C(COCCc1ccc(Br)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379124 1067790495 /nfs/dbraw/zinc/79/04/95/1067790495.db2.gz HIJJTRHBSMYPPP-SFHVURJKSA-N 1 2 454.365 1.058 20 0 JDADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379294 1067791199 /nfs/dbraw/zinc/79/11/99/1067791199.db2.gz MIEQLQCOXWHLKA-ZBFHGGJFSA-N 1 2 456.406 1.979 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCCC[C@H]12 ZINC001465380271 1067791788 /nfs/dbraw/zinc/79/17/88/1067791788.db2.gz XSCVWUXZVQPOQB-AXHZCLLHSA-N 1 2 464.607 1.606 20 0 JDADLO O=C([C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC001465397087 1067795165 /nfs/dbraw/zinc/79/51/65/1067795165.db2.gz ZKEXEPVSDOLKFR-KRWDZBQOSA-N 1 2 450.465 1.490 20 0 JDADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)C1 ZINC001465539141 1067808438 /nfs/dbraw/zinc/80/84/38/1067808438.db2.gz APGXBACPHFBGMM-OAQYLSRUSA-N 1 2 452.559 1.230 20 0 JDADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)C1 ZINC001465539141 1067808439 /nfs/dbraw/zinc/80/84/39/1067808439.db2.gz APGXBACPHFBGMM-OAQYLSRUSA-N 1 2 452.559 1.230 20 0 JDADLO C[NH+](C)CCN(C(=O)c1cc(Br)c2ncc(C=O)n2c1)[C@H]1CCS(=O)(=O)C1 ZINC001465666169 1067818026 /nfs/dbraw/zinc/81/80/26/1067818026.db2.gz QGALWGOECKAOHL-ZDUSSCGKSA-N 1 2 457.350 1.100 20 0 JDADLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC001465674645 1067818519 /nfs/dbraw/zinc/81/85/19/1067818519.db2.gz FPCGQASNBUJEDX-RTBURBONSA-N 1 2 453.605 1.667 20 0 JDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001465702323 1067821308 /nfs/dbraw/zinc/82/13/08/1067821308.db2.gz GUHUFQLDOROOQA-WZONZLPQSA-N 1 2 455.596 1.070 20 0 JDADLO COc1ccc(CC(=O)NCc2ccc(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2)cc1 ZINC001465702147 1067821386 /nfs/dbraw/zinc/82/13/86/1067821386.db2.gz FDTONOFPYRMETJ-QFIPXVFZSA-N 1 2 455.555 1.319 20 0 JDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001465702827 1067821750 /nfs/dbraw/zinc/82/17/50/1067821750.db2.gz QWWRDTTZRLYUAC-FYQPLNBISA-N 1 2 455.596 1.333 20 0 JDADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC001465736475 1067824611 /nfs/dbraw/zinc/82/46/11/1067824611.db2.gz MJJOKNZXQWXYAN-INIZCTEOSA-N 1 2 453.561 1.189 20 0 JDADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 ZINC001465736820 1067824854 /nfs/dbraw/zinc/82/48/54/1067824854.db2.gz UWBVCSZMBVVLSG-AWEZNQCLSA-N 1 2 452.508 1.664 20 0 JDADLO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781759 1067829500 /nfs/dbraw/zinc/82/95/00/1067829500.db2.gz FBRPATVHFXVANL-HNNXBMFYSA-N 1 2 458.556 1.161 20 0 JDADLO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781759 1067829502 /nfs/dbraw/zinc/82/95/02/1067829502.db2.gz FBRPATVHFXVANL-HNNXBMFYSA-N 1 2 458.556 1.161 20 0 JDADLO C[N@@H+]1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781620 1067829529 /nfs/dbraw/zinc/82/95/29/1067829529.db2.gz AUIPIZXFKZMMIN-DLBZAZTESA-N 1 2 456.584 1.680 20 0 JDADLO C[N@H+]1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781620 1067829533 /nfs/dbraw/zinc/82/95/33/1067829533.db2.gz AUIPIZXFKZMMIN-DLBZAZTESA-N 1 2 456.584 1.680 20 0 JDADLO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001465781683 1067829567 /nfs/dbraw/zinc/82/95/67/1067829567.db2.gz CPMLFXHPHAINEX-IRXDYDNUSA-N 1 2 458.600 1.972 20 0 JDADLO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001465781683 1067829571 /nfs/dbraw/zinc/82/95/71/1067829571.db2.gz CPMLFXHPHAINEX-IRXDYDNUSA-N 1 2 458.600 1.972 20 0 JDADLO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001465781684 1067829611 /nfs/dbraw/zinc/82/96/11/1067829611.db2.gz CPMLFXHPHAINEX-SJORKVTESA-N 1 2 458.600 1.972 20 0 JDADLO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001465781684 1067829612 /nfs/dbraw/zinc/82/96/12/1067829612.db2.gz CPMLFXHPHAINEX-SJORKVTESA-N 1 2 458.600 1.972 20 0 JDADLO CCOC(=O)c1cnn(-c2ccc(C(=O)N3CC[C@@H](OCC[NH+]4CCOCC4)C3)cc2)c1C ZINC001465852666 1067836530 /nfs/dbraw/zinc/83/65/30/1067836530.db2.gz KLLYIOBFIIKUJO-OAQYLSRUSA-N 1 2 456.543 1.921 20 0 JDADLO O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001465852931 1067836544 /nfs/dbraw/zinc/83/65/44/1067836544.db2.gz RRJWRKQQMYFFOM-UXHICEINSA-N 1 2 451.589 1.037 20 0 JDADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC001465871781 1067838438 /nfs/dbraw/zinc/83/84/38/1067838438.db2.gz OCPFYIPIMFUIPD-QGZVFWFLSA-N 1 2 455.581 1.131 20 0 JDADLO C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001465882803 1067839156 /nfs/dbraw/zinc/83/91/56/1067839156.db2.gz ZFZXAHRNIFRPOC-DJJJIMSYSA-N 1 2 459.528 1.518 20 0 JDADLO C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001465882803 1067839159 /nfs/dbraw/zinc/83/91/59/1067839159.db2.gz ZFZXAHRNIFRPOC-DJJJIMSYSA-N 1 2 459.528 1.518 20 0 JDADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 ZINC001465900597 1067840850 /nfs/dbraw/zinc/84/08/50/1067840850.db2.gz YSHBRKRRMQTEEX-ZBFHGGJFSA-N 1 2 451.955 1.485 20 0 JDADLO C[C@@H]1CCN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C[C@H]1n1cc[nH+]c1 ZINC001465919382 1067843175 /nfs/dbraw/zinc/84/31/75/1067843175.db2.gz NPGSNPUWVHDNHV-RDTXWAMCSA-N 1 2 453.503 1.491 20 0 JDADLO C[C@@H]1CCN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC001465919380 1067843317 /nfs/dbraw/zinc/84/33/17/1067843317.db2.gz NPGSNPUWVHDNHV-KDOFPFPSSA-N 1 2 453.503 1.491 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccc2c1OCCC2=O ZINC001465979963 1067849095 /nfs/dbraw/zinc/84/90/95/1067849095.db2.gz LBJDJTPCBVFCQE-UHFFFAOYSA-N 1 2 459.528 1.320 20 0 JDADLO COc1c(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cccc1C(N)=O ZINC001465990553 1067849614 /nfs/dbraw/zinc/84/96/14/1067849614.db2.gz UPLMACRGODQJPM-HNNXBMFYSA-N 1 2 455.519 1.211 20 0 JDADLO COc1c(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cccc1C(N)=O ZINC001465990553 1067849616 /nfs/dbraw/zinc/84/96/16/1067849616.db2.gz UPLMACRGODQJPM-HNNXBMFYSA-N 1 2 455.519 1.211 20 0 JDADLO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)C3CC[NH+](Cc4nccn4C)CC3)CC2)c1 ZINC001466074895 1067856900 /nfs/dbraw/zinc/85/69/00/1067856900.db2.gz KMIUUQOUJWLQIB-UHFFFAOYSA-N 1 2 453.587 1.999 20 0 JDADLO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C ZINC001466152066 1067864996 /nfs/dbraw/zinc/86/49/96/1067864996.db2.gz YUACCFTYPYMGQJ-HKUYNNGSSA-N 1 2 459.572 1.006 20 0 JDADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C ZINC001466152067 1067865054 /nfs/dbraw/zinc/86/50/54/1067865054.db2.gz YUACCFTYPYMGQJ-IEBWSBKVSA-N 1 2 459.572 1.006 20 0 JDADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001466305191 1067878128 /nfs/dbraw/zinc/87/81/28/1067878128.db2.gz YAPAVCRBKXGDBM-OAQYLSRUSA-N 1 2 457.552 1.675 20 0 JDADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3n[nH]cc3I)cc2)CC1 ZINC001466449987 1067885316 /nfs/dbraw/zinc/88/53/16/1067885316.db2.gz UYSRXWOCONHARM-UHFFFAOYSA-N 1 2 453.284 1.931 20 0 JDADLO CNC(=O)c1cccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1Br ZINC001466483145 1067887880 /nfs/dbraw/zinc/88/78/80/1067887880.db2.gz ZIGJESNPFFHWJL-LJQANCHMSA-N 1 2 455.353 1.546 20 0 JDADLO CNC(=O)c1cccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1Br ZINC001466483145 1067887883 /nfs/dbraw/zinc/88/78/83/1067887883.db2.gz ZIGJESNPFFHWJL-LJQANCHMSA-N 1 2 455.353 1.546 20 0 JDADLO CCOC(=O)CN1c2ccc(NC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2C(F)(F)C1=O ZINC001466643754 1067896749 /nfs/dbraw/zinc/89/67/49/1067896749.db2.gz CMQFJQNTQNYOLS-GASCZTMLSA-N 1 2 452.458 1.673 20 0 JDADLO CCOC(=O)CN1c2ccc(NC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc2C(F)(F)C1=O ZINC001466643754 1067896751 /nfs/dbraw/zinc/89/67/51/1067896751.db2.gz CMQFJQNTQNYOLS-GASCZTMLSA-N 1 2 452.458 1.673 20 0 JDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 ZINC001466646573 1067897259 /nfs/dbraw/zinc/89/72/59/1067897259.db2.gz DQXHKUAEDNAPSV-WCXIOVBPSA-N 1 2 452.577 1.406 20 0 JDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 ZINC001466646572 1067897313 /nfs/dbraw/zinc/89/73/13/1067897313.db2.gz DQXHKUAEDNAPSV-VQHPVUNQSA-N 1 2 452.577 1.406 20 0 JDADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCN(S(=O)(=O)N=S(C)(C)=O)CC3)ccc21 ZINC001466669912 1067899120 /nfs/dbraw/zinc/89/91/20/1067899120.db2.gz SESZJBPHDDZHBN-UHFFFAOYSA-N 1 2 454.578 1.423 20 0 JDADLO CCOC(=O)c1ccc(N2CC(NC(=O)[C@@H](C)[NH+]3CCN(c4ccc(F)cc4)CC3)C2)nc1 ZINC001466805521 1067924910 /nfs/dbraw/zinc/92/49/10/1067924910.db2.gz LWFXPXPNRUEAFP-QGZVFWFLSA-N 1 2 455.534 1.913 20 0 JDADLO CC(=O)NCCNC(=O)CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001466940526 1067952182 /nfs/dbraw/zinc/95/21/82/1067952182.db2.gz VSEKPXCBLUOVDG-UHFFFAOYSA-N 1 2 454.369 1.172 20 0 JDADLO O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001466971048 1067957359 /nfs/dbraw/zinc/95/73/59/1067957359.db2.gz WJGSBFJGTIASLS-JKSUJKDBSA-N 1 2 458.485 1.645 20 0 JDADLO O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001466971048 1067957377 /nfs/dbraw/zinc/95/73/77/1067957377.db2.gz WJGSBFJGTIASLS-JKSUJKDBSA-N 1 2 458.485 1.645 20 0 JDADLO Cn1cc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(-c2ccco2)n1 ZINC001467051909 1067965408 /nfs/dbraw/zinc/96/54/08/1067965408.db2.gz QNCWJEMUQVBSJV-UHFFFAOYSA-N 1 2 459.532 1.349 20 0 JDADLO Cn1nc(C(F)(F)F)cc1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001467069853 1067966832 /nfs/dbraw/zinc/96/68/32/1067966832.db2.gz YIMZCYXUVUUSRT-ZDUSSCGKSA-N 1 2 454.457 1.856 20 0 JDADLO Cn1nc(C(F)(F)F)cc1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001467069853 1067966842 /nfs/dbraw/zinc/96/68/42/1067966842.db2.gz YIMZCYXUVUUSRT-ZDUSSCGKSA-N 1 2 454.457 1.856 20 0 JDADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001467318407 1068002127 /nfs/dbraw/zinc/00/21/27/1068002127.db2.gz VLFHLMPIEIGNGF-HUUCEWRRSA-N 1 2 450.586 1.419 20 0 JDADLO Cn1nc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1C(F)(F)F ZINC001467436051 1068017208 /nfs/dbraw/zinc/01/72/08/1068017208.db2.gz HJPRUUKLAPUFJP-CYBMUJFWSA-N 1 2 454.457 1.856 20 0 JDADLO Cn1nc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C(F)(F)F ZINC001467436051 1068017223 /nfs/dbraw/zinc/01/72/23/1068017223.db2.gz HJPRUUKLAPUFJP-CYBMUJFWSA-N 1 2 454.457 1.856 20 0 JDADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(O)CCCN1C(=O)c2ccccc2C1=O ZINC001467583033 1068032299 /nfs/dbraw/zinc/03/22/99/1068032299.db2.gz SHUUBESILRCOTM-LJQANCHMSA-N 1 2 452.511 1.975 20 0 JDADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(O)CCCN1C(=O)c2ccccc2C1=O ZINC001467583033 1068032317 /nfs/dbraw/zinc/03/23/17/1068032317.db2.gz SHUUBESILRCOTM-LJQANCHMSA-N 1 2 452.511 1.975 20 0 JDADLO NC(=O)c1cc(F)ccc1N1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001467583972 1068032429 /nfs/dbraw/zinc/03/24/29/1068032429.db2.gz FYNJEBCDJUYXGD-HXUWFJFHSA-N 1 2 455.534 1.657 20 0 JDADLO NC(=O)c1cc(F)ccc1N1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001467583972 1068032447 /nfs/dbraw/zinc/03/24/47/1068032447.db2.gz FYNJEBCDJUYXGD-HXUWFJFHSA-N 1 2 455.534 1.657 20 0 JDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC001467589479 1068034137 /nfs/dbraw/zinc/03/41/37/1068034137.db2.gz RSISFKGNEGZZER-PMACEKPBSA-N 1 2 450.580 1.487 20 0 JDADLO Cn1c2[nH]c(CCC(=O)N(CCn3cc[nH+]c3)Cc3cccc(Cl)c3)nc2c(=O)[nH]c1=O ZINC001467600890 1068035753 /nfs/dbraw/zinc/03/57/53/1068035753.db2.gz VBSKCBYPHSEHDK-UHFFFAOYSA-N 1 2 455.906 1.874 20 0 JDADLO Cc1csc(C(C)(C)NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001467646108 1068042160 /nfs/dbraw/zinc/04/21/60/1068042160.db2.gz FOFFFGQHLICAJK-UHFFFAOYSA-N 1 2 452.606 1.533 20 0 JDADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1c(F)cncc1F ZINC001467646490 1068043331 /nfs/dbraw/zinc/04/33/31/1068043331.db2.gz HPXUDLXRXDEMBC-CQSZACIVSA-N 1 2 454.503 1.267 20 0 JDADLO COCC[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC001467646149 1068043368 /nfs/dbraw/zinc/04/33/68/1068043368.db2.gz GJQRMVGYIVGXKC-KRWDZBQOSA-N 1 2 451.549 1.203 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC001467647823 1068044461 /nfs/dbraw/zinc/04/44/61/1068044461.db2.gz XPYMXNIFCIOJCX-AZUAARDMSA-N 1 2 451.593 1.038 20 0 JDADLO CCc1cnc(CN(C)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC001467647673 1068044609 /nfs/dbraw/zinc/04/46/09/1068044609.db2.gz VKMHBGRTPKHPPD-UHFFFAOYSA-N 1 2 452.606 1.394 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC001467647827 1068044645 /nfs/dbraw/zinc/04/46/45/1068044645.db2.gz XPYMXNIFCIOJCX-ICSRJNTNSA-N 1 2 451.593 1.038 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOC2(CCCCC2)C1 ZINC001467648065 1068045373 /nfs/dbraw/zinc/04/53/73/1068045373.db2.gz ZTJGAFQJYHANPS-UHFFFAOYSA-N 1 2 451.593 1.278 20 0 JDADLO Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC001467650340 1068045739 /nfs/dbraw/zinc/04/57/39/1068045739.db2.gz HIXSCVYOMBUAPQ-FQEVSTJZSA-N 1 2 459.978 1.783 20 0 JDADLO CCOC1CC(CNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)([NH+]2CCOCC2)C1 ZINC001467650034 1068045772 /nfs/dbraw/zinc/04/57/72/1068045772.db2.gz BYRZOUOZQSPCNY-UHFFFAOYSA-N 1 2 453.605 1.358 20 0 JDADLO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001467670400 1068049650 /nfs/dbraw/zinc/04/96/50/1068049650.db2.gz UEMMZYZARDGMFB-RDJZCZTQSA-N 1 2 455.386 1.869 20 0 JDADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)c2ccc(Cl)cc2)C1 ZINC001467779049 1068065332 /nfs/dbraw/zinc/06/53/32/1068065332.db2.gz YBVUHIMLZNLEQV-RTBURBONSA-N 1 2 452.964 1.859 20 0 JDADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)c2ccc(Cl)cc2)C1 ZINC001467779049 1068065342 /nfs/dbraw/zinc/06/53/42/1068065342.db2.gz YBVUHIMLZNLEQV-RTBURBONSA-N 1 2 452.964 1.859 20 0 JDADLO CCOc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1OC ZINC001467856091 1068078052 /nfs/dbraw/zinc/07/80/52/1068078052.db2.gz DLJLGMFUVVSOPP-UHFFFAOYSA-N 1 2 456.547 1.752 20 0 JDADLO CCOc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1OC ZINC001467856091 1068078065 /nfs/dbraw/zinc/07/80/65/1068078065.db2.gz DLJLGMFUVVSOPP-UHFFFAOYSA-N 1 2 456.547 1.752 20 0 JDADLO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001467886322 1068084859 /nfs/dbraw/zinc/08/48/59/1068084859.db2.gz PEBDCCSJECZHMT-GOSISDBHSA-N 1 2 457.593 1.984 20 0 JDADLO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001467886322 1068084875 /nfs/dbraw/zinc/08/48/75/1068084875.db2.gz PEBDCCSJECZHMT-GOSISDBHSA-N 1 2 457.593 1.984 20 0 JDADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1c(F)ccc(S(=O)(=O)CC3CC3)c1F)C2 ZINC001467891176 1068085799 /nfs/dbraw/zinc/08/57/99/1068085799.db2.gz KVHJIHOECAPDME-AWEZNQCLSA-N 1 2 453.511 1.933 20 0 JDADLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001467894318 1068086087 /nfs/dbraw/zinc/08/60/87/1068086087.db2.gz GVSRRHGKFRYBCO-QRQLOZEOSA-N 1 2 453.609 1.242 20 0 JDADLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001467894318 1068086103 /nfs/dbraw/zinc/08/61/03/1068086103.db2.gz GVSRRHGKFRYBCO-QRQLOZEOSA-N 1 2 453.609 1.242 20 0 JDADLO COCCOc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467900761 1068087884 /nfs/dbraw/zinc/08/78/84/1068087884.db2.gz JBEXFFYJWXCYCF-SFHVURJKSA-N 1 2 455.559 1.288 20 0 JDADLO C=CC(=O)Nc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467900935 1068087925 /nfs/dbraw/zinc/08/79/25/1068087925.db2.gz LEDUMIGILHBHRD-KRWDZBQOSA-N 1 2 450.543 1.388 20 0 JDADLO CO[C@@](C)(C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1ccccc1F ZINC001467900943 1068088527 /nfs/dbraw/zinc/08/85/27/1068088527.db2.gz LHHTWGMWPOOEBB-MZNJEOGPSA-N 1 2 457.550 1.650 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001467913773 1068092909 /nfs/dbraw/zinc/09/29/09/1068092909.db2.gz VMSNJPSGYPRQEG-FQEVSTJZSA-N 1 2 458.481 1.350 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001467913773 1068092928 /nfs/dbraw/zinc/09/29/28/1068092928.db2.gz VMSNJPSGYPRQEG-FQEVSTJZSA-N 1 2 458.481 1.350 20 0 JDADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 ZINC001467928404 1068095167 /nfs/dbraw/zinc/09/51/67/1068095167.db2.gz ACPFRUJUMBGRTN-SJLPKXTDSA-N 1 2 458.563 1.732 20 0 JDADLO COC(=O)c1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1OC ZINC001467960136 1068117188 /nfs/dbraw/zinc/11/71/88/1068117188.db2.gz PGWOXFKVHIYCIS-INIZCTEOSA-N 1 2 450.536 1.832 20 0 JDADLO COC(=O)c1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1OC ZINC001467960136 1068117194 /nfs/dbraw/zinc/11/71/94/1068117194.db2.gz PGWOXFKVHIYCIS-INIZCTEOSA-N 1 2 450.536 1.832 20 0 JDADLO COc1ccccc1[C@H](CNC(=O)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O)[NH+]1CCCCC1 ZINC001468110708 1068169125 /nfs/dbraw/zinc/16/91/25/1068169125.db2.gz AWWMBDQZHZOPFP-MMKMLUHNSA-N 1 2 451.589 1.676 20 0 JDADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1 ZINC001468185120 1068198695 /nfs/dbraw/zinc/19/86/95/1068198695.db2.gz FHGZTGHHVWIJLL-WIYYLYMNSA-N 1 2 459.616 1.771 20 0 JDADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC001468185120 1068198723 /nfs/dbraw/zinc/19/87/23/1068198723.db2.gz FHGZTGHHVWIJLL-WIYYLYMNSA-N 1 2 459.616 1.771 20 0 JDADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC001468233354 1068210797 /nfs/dbraw/zinc/21/07/97/1068210797.db2.gz BBQCZWLBURIMHF-MNEFBYGVSA-N 1 2 457.365 1.829 20 0 JDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC001468255086 1068214837 /nfs/dbraw/zinc/21/48/37/1068214837.db2.gz CAFSMNVMTHTACA-ZDUSSCGKSA-N 1 2 455.334 1.021 20 0 JDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001468259377 1068216944 /nfs/dbraw/zinc/21/69/44/1068216944.db2.gz YZCKYGRIBYSNIZ-LBPRGKRZSA-N 1 2 459.391 1.849 20 0 JDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NCc1cccc(N2CCOCC2)n1 ZINC001468287099 1068225844 /nfs/dbraw/zinc/22/58/44/1068225844.db2.gz QAZQDSZPXVCDLX-UHFFFAOYSA-N 1 2 455.559 1.629 20 0 JDADLO Cn1nccc1[C@@H](O)C1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC001468310621 1068239126 /nfs/dbraw/zinc/23/91/26/1068239126.db2.gz WGRADYYSYCBLDX-QHCPKHFHSA-N 1 2 457.575 1.786 20 0 JDADLO C[C@H](O)[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OCc1ccccc1 ZINC001468334856 1068244878 /nfs/dbraw/zinc/24/48/78/1068244878.db2.gz HRZCXAUQSZASQF-MBSDFSHPSA-N 1 2 454.527 1.119 20 0 JDADLO Cc1nc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1I ZINC001468346081 1068249659 /nfs/dbraw/zinc/24/96/59/1068249659.db2.gz BHLBWCJNUKOJTQ-CYBMUJFWSA-N 1 2 458.300 1.114 20 0 JDADLO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC001468357938 1068252589 /nfs/dbraw/zinc/25/25/89/1068252589.db2.gz USGHXKLMYIXURK-OALUTQOASA-N 1 2 453.605 1.905 20 0 JDADLO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC001468357938 1068252608 /nfs/dbraw/zinc/25/26/08/1068252608.db2.gz USGHXKLMYIXURK-OALUTQOASA-N 1 2 453.605 1.905 20 0 JDADLO COc1cc(OC)cc([C@@H](O)CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001468362805 1068255166 /nfs/dbraw/zinc/25/51/66/1068255166.db2.gz GDLBLAKVVFZGCS-FQEVSTJZSA-N 1 2 457.531 1.170 20 0 JDADLO COc1cc(OC)cc([C@H](O)CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001468362810 1068255698 /nfs/dbraw/zinc/25/56/98/1068255698.db2.gz GDLBLAKVVFZGCS-HXUWFJFHSA-N 1 2 457.531 1.170 20 0 JDADLO COC(=O)c1ccc2c(c1)CCN(C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001468364079 1068257439 /nfs/dbraw/zinc/25/74/39/1068257439.db2.gz YDNJCBZVDIIDSD-UHFFFAOYSA-N 1 2 451.527 1.675 20 0 JDADLO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001468390672 1068266652 /nfs/dbraw/zinc/26/66/52/1068266652.db2.gz YQUFLYKVLXXWEU-UHFFFAOYSA-N 1 2 456.524 1.960 20 0 JDADLO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC001468543801 1068308166 /nfs/dbraw/zinc/30/81/66/1068308166.db2.gz LPYOARSOOFVNSH-VGSWGCGISA-N 1 2 452.983 1.842 20 0 JDADLO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC001468543801 1068308190 /nfs/dbraw/zinc/30/81/90/1068308190.db2.gz LPYOARSOOFVNSH-VGSWGCGISA-N 1 2 452.983 1.842 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC(OCC(F)F)C3)cc2)CC1 ZINC001468548085 1068311394 /nfs/dbraw/zinc/31/13/94/1068311394.db2.gz ARJNVGVRVGRABK-UHFFFAOYSA-N 1 2 454.518 1.448 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N(C)Cc3cnn(C)c3C)cc2)CC1 ZINC001468549130 1068311622 /nfs/dbraw/zinc/31/16/22/1068311622.db2.gz MHHHHHHPTGVFCK-UHFFFAOYSA-N 1 2 456.591 1.656 20 0 JDADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCC(=O)N(C)CCc3ccccn3)CC2)c1 ZINC001468564283 1068315542 /nfs/dbraw/zinc/31/55/42/1068315542.db2.gz SYUSEEWXEWUPQP-UHFFFAOYSA-N 1 2 455.559 1.497 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)CC1 ZINC001468636797 1068330266 /nfs/dbraw/zinc/33/02/66/1068330266.db2.gz SUPTVPAKSJBIMX-FQEVSTJZSA-N 1 2 459.559 1.929 20 0 JDADLO COc1cc(OC)c(C[C@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC)c1 ZINC001468637024 1068330752 /nfs/dbraw/zinc/33/07/52/1068330752.db2.gz XIPWHJZVBIOVGX-HNNXBMFYSA-N 1 2 457.593 1.452 20 0 JDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001468657120 1068336685 /nfs/dbraw/zinc/33/66/85/1068336685.db2.gz KTYVOKRDIORGFX-SXLOBPIMSA-N 1 2 453.628 1.726 20 0 JDADLO C[S@](=O)c1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC001468663103 1068339151 /nfs/dbraw/zinc/33/91/51/1068339151.db2.gz CPVZQDDLWNRDFU-UPTQXZAWSA-N 1 2 458.588 1.519 20 0 JDADLO C[S@](=O)c1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC001468663103 1068339166 /nfs/dbraw/zinc/33/91/66/1068339166.db2.gz CPVZQDDLWNRDFU-UPTQXZAWSA-N 1 2 458.588 1.519 20 0 JDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001468664387 1068339734 /nfs/dbraw/zinc/33/97/34/1068339734.db2.gz ZZILARFQSWQSDT-DNVCBOLYSA-N 1 2 458.485 1.238 20 0 JDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001468664387 1068339737 /nfs/dbraw/zinc/33/97/37/1068339737.db2.gz ZZILARFQSWQSDT-DNVCBOLYSA-N 1 2 458.485 1.238 20 0 JDADLO O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001468686386 1068348100 /nfs/dbraw/zinc/34/81/00/1068348100.db2.gz NMIWXHSUYWNRIJ-KRWDZBQOSA-N 1 2 457.543 1.689 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)CC2)C1 ZINC001468710053 1068350989 /nfs/dbraw/zinc/35/09/89/1068350989.db2.gz CAKNTNKVDCCQSU-NLFFAJNJSA-N 1 2 456.587 1.988 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@]3(c4ccccc4)CCC(=O)NC3)CC2)C1 ZINC001468710047 1068351137 /nfs/dbraw/zinc/35/11/37/1068351137.db2.gz CAKNTNKVDCCQSU-CJFMBICVSA-N 1 2 456.587 1.988 20 0 JDADLO CCOC(=O)C1(CC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCOCC1 ZINC001468710966 1068351339 /nfs/dbraw/zinc/35/13/39/1068351339.db2.gz GFTXNAJZQXOIIR-GOSISDBHSA-N 1 2 453.580 1.890 20 0 JDADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC001468713894 1068351819 /nfs/dbraw/zinc/35/18/19/1068351819.db2.gz YPHUFGSIPZFWFG-HXUWFJFHSA-N 1 2 456.572 1.988 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CNS(=O)(=O)c3cccs3)CC2)C1 ZINC001468714083 1068351949 /nfs/dbraw/zinc/35/19/49/1068351949.db2.gz YQWOELSYSXHNGW-HNNXBMFYSA-N 1 2 458.606 1.180 20 0 JDADLO O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001468715478 1068354015 /nfs/dbraw/zinc/35/40/15/1068354015.db2.gz CEPJSHRUYMFXKW-QUCCMNQESA-N 1 2 450.580 1.217 20 0 JDADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001468904504 1068390967 /nfs/dbraw/zinc/39/09/67/1068390967.db2.gz NUHBIAYCMAVWJN-JTSKRJEESA-N 1 2 451.514 1.418 20 0 JDADLO CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC001468963068 1068407111 /nfs/dbraw/zinc/40/71/11/1068407111.db2.gz MAVBXANBMPKUPW-ASMFUDSRSA-N 1 2 458.632 1.929 20 0 JDADLO COCC(COC)[NH+]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC001468984378 1068413796 /nfs/dbraw/zinc/41/37/96/1068413796.db2.gz HDOCWBSPLXIBIN-INIZCTEOSA-N 1 2 451.568 1.553 20 0 JDADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC001469014811 1068426475 /nfs/dbraw/zinc/42/64/75/1068426475.db2.gz YONYANQYZKNGRI-UHFFFAOYSA-N 1 2 454.774 1.591 20 0 JDADLO Cc1cc(N2CC[C@@H](NC(=O)N(Cc3ccccc3)[C@H](C)C[NH+]3CCOCC3)C2=O)n(C)n1 ZINC001469093120 1068439866 /nfs/dbraw/zinc/43/98/66/1068439866.db2.gz OVSIEFQWQGXOKT-TZIWHRDSSA-N 1 2 454.575 1.766 20 0 JDADLO CC(C)(C)OC(=O)N1CCC12CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC001469134369 1068449739 /nfs/dbraw/zinc/44/97/39/1068449739.db2.gz QQSXLNWMFZJXMC-GOSISDBHSA-N 1 2 450.580 1.169 20 0 JDADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC001469333024 1068494796 /nfs/dbraw/zinc/49/47/96/1068494796.db2.gz IAZMDFKUFMUCEM-INIZCTEOSA-N 1 2 451.549 1.558 20 0 JDADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001469443887 1068519851 /nfs/dbraw/zinc/51/98/51/1068519851.db2.gz FQKQQJAPDDOQDV-HNNXBMFYSA-N 1 2 451.499 1.655 20 0 JDADLO CC[C@@H](CSc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001469488938 1068532238 /nfs/dbraw/zinc/53/22/38/1068532238.db2.gz LUAKTJHJTQKYRW-SFHVURJKSA-N 1 2 455.650 1.377 20 0 JDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001469545786 1068542934 /nfs/dbraw/zinc/54/29/34/1068542934.db2.gz MCPXCPGPCLBWGX-DENIHFKCSA-N 1 2 451.589 1.567 20 0 JDADLO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC001469633331 1068558588 /nfs/dbraw/zinc/55/85/88/1068558588.db2.gz SBFLULFOJUALLS-YZGWKJHDSA-N 1 2 463.962 1.236 20 0 JDADLO CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CC[NH+](CCOCCOC)CC2)cc1 ZINC001469675464 1068565370 /nfs/dbraw/zinc/56/53/70/1068565370.db2.gz WZPOYUMRVXUHFG-HXUWFJFHSA-N 1 2 451.589 1.408 20 0 JDADLO Cn1nccc1[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001469770979 1068586101 /nfs/dbraw/zinc/58/61/01/1068586101.db2.gz NWLSEEPQSDPZRA-NRFANRHFSA-N 1 2 456.547 1.443 20 0 JDADLO CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC001469847732 1068601748 /nfs/dbraw/zinc/60/17/48/1068601748.db2.gz UBGMTVPQVQONFD-NRFANRHFSA-N 1 2 451.637 1.321 20 0 JDADLO CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC001469847733 1068601931 /nfs/dbraw/zinc/60/19/31/1068601931.db2.gz UBGMTVPQVQONFD-OAQYLSRUSA-N 1 2 451.637 1.321 20 0 JDADLO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)CC2)CC1 ZINC001469860076 1068605686 /nfs/dbraw/zinc/60/56/86/1068605686.db2.gz PBAUEJWIYOPMQS-UHFFFAOYSA-N 1 2 455.563 1.469 20 0 JDADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001469869669 1068608510 /nfs/dbraw/zinc/60/85/10/1068608510.db2.gz MNQRXQSGMOKJRV-UHFFFAOYSA-N 1 2 453.568 1.653 20 0 JDADLO Cn1nnc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(I)cc2)n1 ZINC001469955576 1068644202 /nfs/dbraw/zinc/64/42/02/1068644202.db2.gz CQRQBOLBPYVMCE-CQSZACIVSA-N 1 2 455.304 1.279 20 0 JDADLO Cn1nnc(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(I)cc2)n1 ZINC001469955576 1068644254 /nfs/dbraw/zinc/64/42/54/1068644254.db2.gz CQRQBOLBPYVMCE-CQSZACIVSA-N 1 2 455.304 1.279 20 0 JDADLO Cn1ncc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(I)cc2)n1 ZINC001469955698 1068644684 /nfs/dbraw/zinc/64/46/84/1068644684.db2.gz FEKHTNHBTGJNOA-INIZCTEOSA-N 1 2 454.316 1.884 20 0 JDADLO Cn1ncc(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(I)cc2)n1 ZINC001469955698 1068644699 /nfs/dbraw/zinc/64/46/99/1068644699.db2.gz FEKHTNHBTGJNOA-INIZCTEOSA-N 1 2 454.316 1.884 20 0 JDADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@@H+]3C[C@H](C)OC[C@H]3C)CC2)cc1 ZINC001470002846 1068662440 /nfs/dbraw/zinc/66/24/40/1068662440.db2.gz SIPKDAAURVJKHT-MSOLQXFVSA-N 1 2 453.605 1.711 20 0 JDADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@H+]3C[C@H](C)OC[C@H]3C)CC2)cc1 ZINC001470002846 1068662461 /nfs/dbraw/zinc/66/24/61/1068662461.db2.gz SIPKDAAURVJKHT-MSOLQXFVSA-N 1 2 453.605 1.711 20 0 JDADLO CCOC1CC(CNC(=O)NCc2c(F)cccc2NS(C)(=O)=O)([NH+]2CCOCC2)C1 ZINC001470013291 1068666280 /nfs/dbraw/zinc/66/62/80/1068666280.db2.gz TUKKEWCHSRMJGK-UHFFFAOYSA-N 1 2 458.556 1.266 20 0 JDADLO CCn1c(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nc2cc(Br)ccc21 ZINC001470079402 1068684649 /nfs/dbraw/zinc/68/46/49/1068684649.db2.gz IZVVEXGVKLIGBS-OAHLLOKOSA-N 1 2 454.369 1.653 20 0 JDADLO C[C@H]1CN(C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)CCS1(=O)=O ZINC001470175147 1068714491 /nfs/dbraw/zinc/71/44/91/1068714491.db2.gz JGGIEYZQRWAJQA-IBGZPJMESA-N 1 2 450.605 1.186 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001470224761 1068725699 /nfs/dbraw/zinc/72/56/99/1068725699.db2.gz DHHAPFIUNLNJTD-BCHRQABDSA-N 1 2 450.539 1.585 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001470224761 1068725719 /nfs/dbraw/zinc/72/57/19/1068725719.db2.gz DHHAPFIUNLNJTD-BCHRQABDSA-N 1 2 450.539 1.585 20 0 JDADLO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001470225521 1068726690 /nfs/dbraw/zinc/72/66/90/1068726690.db2.gz LOKLEVVADNILFK-VWLOTQADSA-N 1 2 458.603 1.682 20 0 JDADLO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001470225521 1068726726 /nfs/dbraw/zinc/72/67/26/1068726726.db2.gz LOKLEVVADNILFK-VWLOTQADSA-N 1 2 458.603 1.682 20 0 JDADLO CCN(CC)S(=O)(=O)N1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001470318448 1068745196 /nfs/dbraw/zinc/74/51/96/1068745196.db2.gz QKJKMIFIVSERDL-UHFFFAOYSA-N 1 2 454.984 1.940 20 0 JDADLO CSCC[C@@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)NC(=O)OC(C)(C)C ZINC001470331868 1068746622 /nfs/dbraw/zinc/74/66/22/1068746622.db2.gz QRMVTLMKBYMTDC-KRWDZBQOSA-N 1 2 452.625 1.751 20 0 JDADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC001470395450 1068756114 /nfs/dbraw/zinc/75/61/14/1068756114.db2.gz WBKRVZQXNFIWBN-UHFFFAOYSA-N 1 2 455.540 1.895 20 0 JDADLO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(-n4[nH]c(=O)[nH]c4=O)cc3)C2)ccn1 ZINC001470453084 1068765461 /nfs/dbraw/zinc/76/54/61/1068765461.db2.gz OKTOZCBVEZQAQY-FQEVSTJZSA-N 1 2 452.515 1.795 20 0 JDADLO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(-n4[nH]c(=O)[nH]c4=O)cc3)C2)ccn1 ZINC001470453084 1068765470 /nfs/dbraw/zinc/76/54/70/1068765470.db2.gz OKTOZCBVEZQAQY-FQEVSTJZSA-N 1 2 452.515 1.795 20 0 JDADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)C1 ZINC001470535337 1068777917 /nfs/dbraw/zinc/77/79/17/1068777917.db2.gz NUHWNKZRDUZEOF-FQEVSTJZSA-N 1 2 454.571 1.736 20 0 JDADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)C1 ZINC001470535337 1068777928 /nfs/dbraw/zinc/77/79/28/1068777928.db2.gz NUHWNKZRDUZEOF-FQEVSTJZSA-N 1 2 454.571 1.736 20 0 JDADLO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 ZINC001470554638 1068780706 /nfs/dbraw/zinc/78/07/06/1068780706.db2.gz LUFXRRPBNGRFFD-UHFFFAOYSA-N 1 2 455.606 1.495 20 0 JDADLO COc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC001470602506 1068791938 /nfs/dbraw/zinc/79/19/38/1068791938.db2.gz USSWVUABGCOYBS-IBGZPJMESA-N 1 2 459.568 1.585 20 0 JDADLO COc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC001470602506 1068791955 /nfs/dbraw/zinc/79/19/55/1068791955.db2.gz USSWVUABGCOYBS-IBGZPJMESA-N 1 2 459.568 1.585 20 0 JDADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001470723862 1068805137 /nfs/dbraw/zinc/80/51/37/1068805137.db2.gz OMZUKDUPFSTDCH-GUYCJALGSA-N 1 2 456.615 1.040 20 0 JDADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)C1 ZINC001470726516 1068805580 /nfs/dbraw/zinc/80/55/80/1068805580.db2.gz WUAVJPMAXBWMHF-ROUUACIJSA-N 1 2 453.561 1.289 20 0 JDADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC001470853575 1068817317 /nfs/dbraw/zinc/81/73/17/1068817317.db2.gz QKPPXOCVGGSUGM-MOPGFXCFSA-N 1 2 455.477 1.756 20 0 JDADLO CCOc1cc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)ccc1OCC(=O)N1CCCCC1 ZINC001470879540 1068820441 /nfs/dbraw/zinc/82/04/41/1068820441.db2.gz HFTHJEBNKUOIGL-HXUWFJFHSA-N 1 2 455.559 1.997 20 0 JDADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001470936644 1068824918 /nfs/dbraw/zinc/82/49/18/1068824918.db2.gz SOUHMDWOOCZZKX-PWRODBHTSA-N 1 2 461.607 1.736 20 0 JDADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001470936644 1068824921 /nfs/dbraw/zinc/82/49/21/1068824921.db2.gz SOUHMDWOOCZZKX-PWRODBHTSA-N 1 2 461.607 1.736 20 0 JDADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001470936642 1068825105 /nfs/dbraw/zinc/82/51/05/1068825105.db2.gz SOUHMDWOOCZZKX-NJDAHSKKSA-N 1 2 461.607 1.736 20 0 JDADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001470936642 1068825108 /nfs/dbraw/zinc/82/51/08/1068825108.db2.gz SOUHMDWOOCZZKX-NJDAHSKKSA-N 1 2 461.607 1.736 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)cc1 ZINC001471109523 1068836515 /nfs/dbraw/zinc/83/65/15/1068836515.db2.gz ICMOQJBYFAVTQW-HXUWFJFHSA-N 1 2 452.559 1.222 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)cc1 ZINC001471109523 1068836516 /nfs/dbraw/zinc/83/65/16/1068836516.db2.gz ICMOQJBYFAVTQW-HXUWFJFHSA-N 1 2 452.559 1.222 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC001471172818 1068840062 /nfs/dbraw/zinc/84/00/62/1068840062.db2.gz LULBNDXSLINQBH-XOBRGWDASA-N 1 2 454.365 1.668 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC001471172818 1068840063 /nfs/dbraw/zinc/84/00/63/1068840063.db2.gz LULBNDXSLINQBH-XOBRGWDASA-N 1 2 454.365 1.668 20 0 JDADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)c1 ZINC001471229037 1068844635 /nfs/dbraw/zinc/84/46/35/1068844635.db2.gz MMOJZISEONEISU-OAQYLSRUSA-N 1 2 459.568 1.493 20 0 JDADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)c1 ZINC001471229037 1068844640 /nfs/dbraw/zinc/84/46/40/1068844640.db2.gz MMOJZISEONEISU-OAQYLSRUSA-N 1 2 459.568 1.493 20 0 JDADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)cc1 ZINC001471236044 1068845547 /nfs/dbraw/zinc/84/55/47/1068845547.db2.gz XXCABGPACGORSX-OAQYLSRUSA-N 1 2 459.568 1.493 20 0 JDADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)cc1 ZINC001471236044 1068845550 /nfs/dbraw/zinc/84/55/50/1068845550.db2.gz XXCABGPACGORSX-OAQYLSRUSA-N 1 2 459.568 1.493 20 0 JDADLO O=C(NCc1nnc2c(=O)[nH]ccn12)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001471377895 1068859217 /nfs/dbraw/zinc/85/92/17/1068859217.db2.gz ZMYKOPQZRINOED-UHFFFAOYSA-N 1 2 451.409 1.344 20 0 JDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 ZINC001471396039 1068861463 /nfs/dbraw/zinc/86/14/63/1068861463.db2.gz SDOUBGITNRZESM-POTGORPSSA-N 1 2 453.580 1.650 20 0 JDADLO COc1ccc(-c2noc(CN3CCN(C(=O)N[C@@H](C)[C@H]4CN(C)CC[N@@H+]4C)CC3)n2)cc1 ZINC001471602518 1068883395 /nfs/dbraw/zinc/88/33/95/1068883395.db2.gz RCUGPXYPWXFSJI-FXAWDEMLSA-N 1 2 457.579 1.207 20 0 JDADLO COc1ccc(-c2noc(CN3CCN(C(=O)N[C@@H](C)[C@H]4CN(C)CC[N@H+]4C)CC3)n2)cc1 ZINC001471602518 1068883397 /nfs/dbraw/zinc/88/33/97/1068883397.db2.gz RCUGPXYPWXFSJI-FXAWDEMLSA-N 1 2 457.579 1.207 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001471646349 1068887357 /nfs/dbraw/zinc/88/73/57/1068887357.db2.gz HVZHPPZJQSEPOC-IBGZPJMESA-N 1 2 453.524 1.248 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001471646349 1068887363 /nfs/dbraw/zinc/88/73/63/1068887363.db2.gz HVZHPPZJQSEPOC-IBGZPJMESA-N 1 2 453.524 1.248 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001471646961 1068887403 /nfs/dbraw/zinc/88/74/03/1068887403.db2.gz GLMVTAIHRDGDTK-NSHDSACASA-N 1 2 452.700 1.493 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001471646961 1068887405 /nfs/dbraw/zinc/88/74/05/1068887405.db2.gz GLMVTAIHRDGDTK-NSHDSACASA-N 1 2 452.700 1.493 20 0 JDADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC001471720962 1068894821 /nfs/dbraw/zinc/89/48/21/1068894821.db2.gz CAJFGIUCTNBZCL-JTQLQIEISA-N 1 2 454.774 1.591 20 0 JDADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC001471720962 1068894824 /nfs/dbraw/zinc/89/48/24/1068894824.db2.gz CAJFGIUCTNBZCL-JTQLQIEISA-N 1 2 454.774 1.591 20 0 JDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471801999 1068909745 /nfs/dbraw/zinc/90/97/45/1068909745.db2.gz VZCGYWYLENPVCC-QRVBRYPASA-N 1 2 452.596 1.176 20 0 JDADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)CC1 ZINC001471830617 1068915396 /nfs/dbraw/zinc/91/53/96/1068915396.db2.gz WYRMDZGBGNUMFN-UHFFFAOYSA-N 1 2 452.481 1.769 20 0 JDADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)CC1 ZINC001471830617 1068915407 /nfs/dbraw/zinc/91/54/07/1068915407.db2.gz WYRMDZGBGNUMFN-UHFFFAOYSA-N 1 2 452.481 1.769 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)CC1 ZINC001471889122 1068924864 /nfs/dbraw/zinc/92/48/64/1068924864.db2.gz LWVLLQMSCRQMTB-XHSDSOJGSA-N 1 2 451.593 1.618 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)CC1 ZINC001471889122 1068924876 /nfs/dbraw/zinc/92/48/76/1068924876.db2.gz LWVLLQMSCRQMTB-XHSDSOJGSA-N 1 2 451.593 1.618 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)C[C@H]2SC(=N)NC2=O)CC1 ZINC001471889121 1068924982 /nfs/dbraw/zinc/92/49/82/1068924982.db2.gz LWVLLQMSCRQMTB-OWCLPIDISA-N 1 2 451.593 1.618 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C[C@H]2SC(=N)NC2=O)CC1 ZINC001471889121 1068924996 /nfs/dbraw/zinc/92/49/96/1068924996.db2.gz LWVLLQMSCRQMTB-OWCLPIDISA-N 1 2 451.593 1.618 20 0 JDADLO C[NH+](C)Cc1csc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC001471917386 1068929680 /nfs/dbraw/zinc/92/96/80/1068929680.db2.gz YXHUUTBBYCGDKH-UHFFFAOYSA-N 1 2 454.574 1.351 20 0 JDADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 ZINC001471978170 1068936383 /nfs/dbraw/zinc/93/63/83/1068936383.db2.gz FMSGNFXZZHYGHW-UHFFFAOYSA-N 1 2 452.621 1.177 20 0 JDADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 ZINC001471978170 1068936389 /nfs/dbraw/zinc/93/63/89/1068936389.db2.gz FMSGNFXZZHYGHW-UHFFFAOYSA-N 1 2 452.621 1.177 20 0 JDADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001472181729 1068964681 /nfs/dbraw/zinc/96/46/81/1068964681.db2.gz YASCPHKPHROPJI-VGSWGCGISA-N 1 2 451.568 1.361 20 0 JDADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001472181729 1068964697 /nfs/dbraw/zinc/96/46/97/1068964697.db2.gz YASCPHKPHROPJI-VGSWGCGISA-N 1 2 451.568 1.361 20 0 JDADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001499314756 1068973373 /nfs/dbraw/zinc/97/33/73/1068973373.db2.gz MRZLEQIWLUWDMP-IEBWSBKVSA-N 1 2 478.594 1.166 20 0 JDADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001499314756 1068973389 /nfs/dbraw/zinc/97/33/89/1068973389.db2.gz MRZLEQIWLUWDMP-IEBWSBKVSA-N 1 2 478.594 1.166 20 0 JDADLO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001472245206 1068975180 /nfs/dbraw/zinc/97/51/80/1068975180.db2.gz VAVXTWWGAMPQDI-SFYKDHMMSA-N 1 2 465.616 1.905 20 0 JDADLO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001472245206 1068975192 /nfs/dbraw/zinc/97/51/92/1068975192.db2.gz VAVXTWWGAMPQDI-SFYKDHMMSA-N 1 2 465.616 1.905 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc[nH+]1 ZINC001472332936 1068993484 /nfs/dbraw/zinc/99/34/84/1068993484.db2.gz MOSQXLLIGMPVBD-CYWJYZIPSA-N 1 2 458.563 1.607 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc[nH+]1 ZINC001472383211 1069001350 /nfs/dbraw/zinc/00/13/50/1069001350.db2.gz GEVRAKHAELTRIP-DLBZAZTESA-N 1 2 465.601 1.559 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc[nH+]1 ZINC001472383175 1069001580 /nfs/dbraw/zinc/00/15/80/1069001580.db2.gz CXBIFNVWLBPLSQ-VQTJNVASSA-N 1 2 471.539 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COc1cc([C@H](C)NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)ccc1S(C)(=O)=O ZINC001472401653 1069005600 /nfs/dbraw/zinc/00/56/00/1069005600.db2.gz TYSITVGXGRANGV-WMLDXEAASA-N 1 2 450.561 1.773 20 0 JDADLO C[NH+]1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)CC1 ZINC001472416451 1069009411 /nfs/dbraw/zinc/00/94/11/1069009411.db2.gz XNONIWVGTFRQHL-UHFFFAOYSA-N 1 2 450.948 1.645 20 0 JDADLO COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(=O)n(CC[NH+](C)C)c3)cc2[nH]c1=S ZINC001472539180 1069027698 /nfs/dbraw/zinc/02/76/98/1069027698.db2.gz FPTKHSHYJIYTHQ-UHFFFAOYSA-N 1 2 457.556 1.697 20 0 JDADLO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC001499658073 1069030118 /nfs/dbraw/zinc/03/01/18/1069030118.db2.gz CDRYDLWZZCKBMB-FUHWJXTLSA-N 1 2 459.576 1.738 20 0 JDADLO CC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC001499658072 1069030505 /nfs/dbraw/zinc/03/05/05/1069030505.db2.gz CDRYDLWZZCKBMB-AEFFLSMTSA-N 1 2 459.576 1.738 20 0 JDADLO Ic1cnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc1 ZINC001472705309 1069043766 /nfs/dbraw/zinc/04/37/66/1069043766.db2.gz WRYURUMMHDKGGA-UHFFFAOYSA-N 1 2 453.288 1.034 20 0 JDADLO Ic1cnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc1 ZINC001472705309 1069043776 /nfs/dbraw/zinc/04/37/76/1069043776.db2.gz WRYURUMMHDKGGA-UHFFFAOYSA-N 1 2 453.288 1.034 20 0 JDADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)CC[N@@H+]1CCOC ZINC001499726954 1069056996 /nfs/dbraw/zinc/05/69/96/1069056996.db2.gz ACKDVKSOKCJTOH-RCCFBDPRSA-N 1 2 489.733 1.576 20 0 JDADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)CC[N@H+]1CCOC ZINC001499726954 1069057000 /nfs/dbraw/zinc/05/70/00/1069057000.db2.gz ACKDVKSOKCJTOH-RCCFBDPRSA-N 1 2 489.733 1.576 20 0 JDADLO COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC001473006135 1069057243 /nfs/dbraw/zinc/05/72/43/1069057243.db2.gz BWQONCWKUVXFSY-UHFFFAOYSA-N 1 2 452.895 1.109 20 0 JDADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)CC[N@@H+]1CCOC 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CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1 ZINC001473139623 1069078684 /nfs/dbraw/zinc/07/86/84/1069078684.db2.gz WJTXSLIYGFULOP-WAIKUNEKSA-N 1 2 459.547 1.122 20 0 JDADLO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1 ZINC001473139623 1069078692 /nfs/dbraw/zinc/07/86/92/1069078692.db2.gz WJTXSLIYGFULOP-WAIKUNEKSA-N 1 2 459.547 1.122 20 0 JDADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1=O ZINC001473143504 1069079690 /nfs/dbraw/zinc/07/96/90/1069079690.db2.gz JKBVJCQFBOMATK-OSPHWJPCSA-N 1 2 457.575 1.748 20 0 JDADLO COc1ccc(NC(=O)C[N@H+](C)CCN2CCOCC2)cc1S(=O)(=O)N1CCCCC1 ZINC001473149453 1069082436 /nfs/dbraw/zinc/08/24/36/1069082436.db2.gz OODXFOQYGFTPMJ-UHFFFAOYSA-N 1 2 454.593 1.072 20 0 JDADLO COc1ccc(NC(=O)C[N@@H+](C)CCN2CCOCC2)cc1S(=O)(=O)N1CCCCC1 ZINC001473149453 1069082442 /nfs/dbraw/zinc/08/24/42/1069082442.db2.gz OODXFOQYGFTPMJ-UHFFFAOYSA-N 1 2 454.593 1.072 20 0 JDADLO 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CC(=O)N1CC[NH+](CCn2c(N3CCC[C@@H](Cn4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001508272396 1073040327 /nfs/dbraw/zinc/04/03/27/1073040327.db2.gz HJTZGCYORPQHEU-OAQYLSRUSA-N 1 2 471.654 1.865 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001508273034 1073040983 /nfs/dbraw/zinc/04/09/83/1073040983.db2.gz JNTSPDXGRXXQMQ-OAQYLSRUSA-N 1 2 483.617 1.340 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCOC[C@@H]2C)CC1 ZINC001508273694 1073041670 /nfs/dbraw/zinc/04/16/70/1073041670.db2.gz MSVYCOKJNVMWSG-ICSRJNTNSA-N 1 2 491.637 1.739 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC3CC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001508273121 1073041875 /nfs/dbraw/zinc/04/18/75/1073041875.db2.gz LFFCOAIRPDYWQS-INIZCTEOSA-N 1 2 457.545 1.468 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001508274029 1073042350 /nfs/dbraw/zinc/04/23/50/1073042350.db2.gz OCXRAPMTADZNFM-NHCUHLMSSA-N 1 2 489.665 1.672 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001508274022 1073042684 /nfs/dbraw/zinc/04/26/84/1073042684.db2.gz OCXRAPMTADZNFM-LEWJYISDSA-N 1 2 489.665 1.672 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001508274559 1073043207 /nfs/dbraw/zinc/04/32/07/1073043207.db2.gz PSNOZJHXZROXPH-KRWDZBQOSA-N 1 2 475.619 1.049 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001508274591 1073043890 /nfs/dbraw/zinc/04/38/90/1073043890.db2.gz QHLPRJPMQJHYSF-VAMGGRTRSA-N 1 2 475.638 1.063 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N(C)CCN(C)c2ccccc2)CC1 ZINC001508275408 1073045499 /nfs/dbraw/zinc/04/54/99/1073045499.db2.gz VSTYYYLSDKDZBC-UHFFFAOYSA-N 1 2 493.660 1.876 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N(C)Cc3cnn(C)c3C)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001508275334 1073045753 /nfs/dbraw/zinc/04/57/53/1073045753.db2.gz VCZVGHGQZOCWRS-XMMPIXPASA-N 1 2 488.637 1.161 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001508275742 1073046339 /nfs/dbraw/zinc/04/63/39/1073046339.db2.gz KKJYXXMYOGCBFH-MRXNPFEDSA-N 1 2 459.517 1.070 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N(C)CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001508275748 1073046361 /nfs/dbraw/zinc/04/63/61/1073046361.db2.gz KNBFGQVCRLIERD-UHFFFAOYSA-N 1 2 478.619 1.059 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001508276312 1073047976 /nfs/dbraw/zinc/04/79/76/1073047976.db2.gz AJGDTXNELVCPBF-LJQANCHMSA-N 1 2 461.655 1.724 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001508276287 1073048055 /nfs/dbraw/zinc/04/80/55/1073048055.db2.gz AFGPFHBRCOTPHR-OAQYLSRUSA-N 1 2 476.647 1.725 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 ZINC001508276515 1073048765 /nfs/dbraw/zinc/04/87/65/1073048765.db2.gz CJHRGVYOLQMPMY-UHFFFAOYSA-N 1 2 485.608 1.629 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)c3nc(C)no3)CC2)CC1 ZINC001508276453 1073048798 /nfs/dbraw/zinc/04/87/98/1073048798.db2.gz BYBNWJZSFMCTKE-SFHVURJKSA-N 1 2 487.653 1.605 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001508277138 1073050017 /nfs/dbraw/zinc/05/00/17/1073050017.db2.gz DZOOEKKTHRGAEL-QHCPKHFHSA-N 1 2 488.608 1.802 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC=CCC2)CC1 ZINC001508277225 1073050168 /nfs/dbraw/zinc/05/01/68/1073050168.db2.gz FOBYDBKULUTCBM-FQEVSTJZSA-N 1 2 489.621 1.517 20 0 JDADLO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCCOC4)n3CC[S@](=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001508277434 1073050547 /nfs/dbraw/zinc/05/05/47/1073050547.db2.gz XFHNOZNIBGFIRF-XEKHSUBLSA-N 1 2 494.706 1.708 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3F)nnc2N(C)CCN2CCOCC2)CC1 ZINC001508278251 1073053189 /nfs/dbraw/zinc/05/31/89/1073053189.db2.gz GHRYJWSFJBCFGI-UHFFFAOYSA-N 1 2 459.570 1.017 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001508278321 1073053207 /nfs/dbraw/zinc/05/32/07/1073053207.db2.gz HYWJVJYFVWWUSU-OAQYLSRUSA-N 1 2 485.633 1.999 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccccc3)C2)CC1 ZINC001508278342 1073053736 /nfs/dbraw/zinc/05/37/36/1073053736.db2.gz RHPSIXGQTXJJEK-WIYYLYMNSA-N 1 2 489.646 1.046 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001508278413 1073053913 /nfs/dbraw/zinc/05/39/13/1073053913.db2.gz KOHRRRPGXUDXRT-UHFFFAOYSA-N 1 2 465.606 1.415 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N2CCC(NC(=O)C(C)C)CC2)CC1 ZINC001508278337 1073054049 /nfs/dbraw/zinc/05/40/49/1073054049.db2.gz IEYYKQAXLXMPPK-UHFFFAOYSA-N 1 2 471.606 1.752 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001508278484 1073054461 /nfs/dbraw/zinc/05/44/61/1073054461.db2.gz MNVBTAWJTDMSBF-UHFFFAOYSA-N 1 2 485.608 1.477 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC001508278492 1073054666 /nfs/dbraw/zinc/05/46/66/1073054666.db2.gz MOWUCXUFQLPFIG-UHFFFAOYSA-N 1 2 496.660 1.511 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001508278541 1073055154 /nfs/dbraw/zinc/05/51/54/1073055154.db2.gz NFSLZHJLYQDZOU-NRFANRHFSA-N 1 2 498.632 1.531 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001508279545 1073057339 /nfs/dbraw/zinc/05/73/39/1073057339.db2.gz RRXSVGGIHOJDPA-INIZCTEOSA-N 1 2 461.636 1.802 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC(NC(=O)c3ccc(C)s3)CC2)CC1 ZINC001508279502 1073057493 /nfs/dbraw/zinc/05/74/93/1073057493.db2.gz YUVZPDQBYFTLNU-UHFFFAOYSA-N 1 2 459.620 1.519 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCNC(=O)CC2)CC1 ZINC001508279568 1073057531 /nfs/dbraw/zinc/05/75/31/1073057531.db2.gz ZLPCIQNGPLVLTQ-KRWDZBQOSA-N 1 2 473.553 1.048 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC001508279749 1073057988 /nfs/dbraw/zinc/05/79/88/1073057988.db2.gz ZUOBCTQIUDMPEB-UHFFFAOYSA-N 1 2 459.639 1.795 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001508279567 1073058045 /nfs/dbraw/zinc/05/80/45/1073058045.db2.gz SJEACXOWCQMBIM-FPOVZHCZSA-N 1 2 475.638 1.377 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001508279931 1073058875 /nfs/dbraw/zinc/05/88/75/1073058875.db2.gz SDXJOCDITMRSNL-UHFFFAOYSA-N 1 2 461.611 1.767 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001508280547 1073060105 /nfs/dbraw/zinc/06/01/05/1073060105.db2.gz WDMXEZIBTHHKTC-MGPUTAFESA-N 1 2 475.544 1.869 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001508280819 1073060475 /nfs/dbraw/zinc/06/04/75/1073060475.db2.gz ZJJAKAKAPCCZHI-KRWDZBQOSA-N 1 2 467.412 1.825 20 0 JDADLO CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001508300262 1073068921 /nfs/dbraw/zinc/06/89/21/1073068921.db2.gz LXFOVIPXRJLTBE-LJQANCHMSA-N 1 2 460.604 1.717 20 0 JDADLO CC(=O)NC1CCC(N(C)c2nnc(C3CCCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001508308699 1073074516 /nfs/dbraw/zinc/07/45/16/1073074516.db2.gz ZIVDDLXHVKJZCV-UHFFFAOYSA-N 1 2 459.639 1.983 20 0 JDADLO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001508318122 1073078759 /nfs/dbraw/zinc/07/87/59/1073078759.db2.gz VCQQMYCXAIWLIU-FQEVSTJZSA-N 1 2 497.625 1.963 20 0 JDADLO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001508325620 1073082709 /nfs/dbraw/zinc/08/27/09/1073082709.db2.gz RGPKIMZEKRWSBM-OAQYLSRUSA-N 1 2 471.581 1.277 20 0 JDADLO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001508348222 1073107969 /nfs/dbraw/zinc/10/79/69/1073107969.db2.gz YTCJYNRLYLKSDB-OAQYLSRUSA-N 1 2 497.644 1.649 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001508352590 1073114287 /nfs/dbraw/zinc/11/42/87/1073114287.db2.gz MLKFJRQBYOZBLC-FHWLQOOXSA-N 1 2 494.687 1.897 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001508361079 1073128531 /nfs/dbraw/zinc/12/85/31/1073128531.db2.gz WWPVXTZTKKRQNG-FPOVZHCZSA-N 1 2 458.611 1.213 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001508361079 1073128545 /nfs/dbraw/zinc/12/85/45/1073128545.db2.gz WWPVXTZTKKRQNG-FPOVZHCZSA-N 1 2 458.611 1.213 20 0 JDADLO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001508361080 1073128600 /nfs/dbraw/zinc/12/86/00/1073128600.db2.gz WWPVXTZTKKRQNG-PZJWPPBQSA-N 1 2 458.611 1.213 20 0 JDADLO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001508361080 1073128606 /nfs/dbraw/zinc/12/86/06/1073128606.db2.gz WWPVXTZTKKRQNG-PZJWPPBQSA-N 1 2 458.611 1.213 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001508380974 1073175276 /nfs/dbraw/zinc/17/52/76/1073175276.db2.gz FWILKWOYRXUSOB-CTNGQTDRSA-N 1 2 488.658 1.941 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001508383799 1073184928 /nfs/dbraw/zinc/18/49/28/1073184928.db2.gz UEODWJBFKAKHAB-FQEVSTJZSA-N 1 2 450.547 1.502 20 0 JDADLO CC(=O)NCCCn1c(CC2CCCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508397549 1073207725 /nfs/dbraw/zinc/20/77/25/1073207725.db2.gz FUNJRNIWQVTFQL-IBGZPJMESA-N 1 2 459.639 1.670 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCC(=O)NC2CC2)CC1 ZINC001508430672 1073226267 /nfs/dbraw/zinc/22/62/67/1073226267.db2.gz CPCGUNNTOSMDKC-GOSISDBHSA-N 1 2 459.639 1.767 20 0 JDADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001508432237 1073228734 /nfs/dbraw/zinc/22/87/34/1073228734.db2.gz GUTUZAFULTZKSK-IRXDYDNUSA-N 1 2 472.619 1.980 20 0 JDADLO CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508432800 1073229672 /nfs/dbraw/zinc/22/96/72/1073229672.db2.gz JXVUBCNKSPCEGU-YADARESESA-N 1 2 455.607 1.880 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCCC(=O)N(C)C)CC1 ZINC001508433291 1073230715 /nfs/dbraw/zinc/23/07/15/1073230715.db2.gz MPJRGHJHBHGGBJ-FQEVSTJZSA-N 1 2 482.633 1.265 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)C)CC1 ZINC001508433525 1073231246 /nfs/dbraw/zinc/23/12/46/1073231246.db2.gz NMUJXHBIQJPHPE-KRWDZBQOSA-N 1 2 474.009 1.820 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC3CC3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001508433582 1073231741 /nfs/dbraw/zinc/23/17/41/1073231741.db2.gz NUNZHHXLKFVBEH-SFHVURJKSA-N 1 2 459.639 1.668 20 0 JDADLO CC(C)[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508434013 1073232662 /nfs/dbraw/zinc/23/26/62/1073232662.db2.gz QROBLQNDCBNNOO-NMMYMHLASA-N 1 2 462.639 1.712 20 0 JDADLO CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508434018 1073232809 /nfs/dbraw/zinc/23/28/09/1073232809.db2.gz QROBLQNDCBNNOO-YOSAUDMPSA-N 1 2 462.639 1.712 20 0 JDADLO CC(C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508436573 1073235665 /nfs/dbraw/zinc/23/56/65/1073235665.db2.gz WGTVZIYEEAOQHA-FDDCHVKYSA-N 1 2 458.611 1.219 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N(C)C)CC1 ZINC001508438217 1073237354 /nfs/dbraw/zinc/23/73/54/1073237354.db2.gz YVWNTQVUEWQTLX-SFHVURJKSA-N 1 2 471.581 1.229 20 0 JDADLO C[C@H]([C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc[nH+]c1N1CCOCC1)S(C)(=O)=O ZINC001508440376 1073242165 /nfs/dbraw/zinc/24/21/65/1073242165.db2.gz UCLZFLVBZRSFOV-DLBZAZTESA-N 1 2 473.603 1.811 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cn2ccccc2[nH+]1 ZINC001508441965 1073245106 /nfs/dbraw/zinc/24/51/06/1073245106.db2.gz WDORFGXSADSQEM-SJORKVTESA-N 1 2 473.603 1.662 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508447470 1073252229 /nfs/dbraw/zinc/25/22/29/1073252229.db2.gz WGLRAUVEUGKAFF-MOPGFXCFSA-N 1 2 499.641 1.802 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001508620752 1073287756 /nfs/dbraw/zinc/28/77/56/1073287756.db2.gz VMHIIYHPQRXHHL-UHFFFAOYSA-N 1 2 452.625 1.259 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001508622084 1073289144 /nfs/dbraw/zinc/28/91/44/1073289144.db2.gz GWZFFZBIPSPSDA-KRWDZBQOSA-N 1 2 452.625 1.288 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001508623205 1073290176 /nfs/dbraw/zinc/29/01/76/1073290176.db2.gz LKWUBKJYUUQQDZ-JOCHJYFZSA-N 1 2 482.050 1.992 20 0 JDADLO CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001508670433 1073326997 /nfs/dbraw/zinc/32/69/97/1073326997.db2.gz YEYQSQQXEVFKPL-RTBURBONSA-N 1 2 494.637 1.970 20 0 JDADLO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001508675392 1073329292 /nfs/dbraw/zinc/32/92/92/1073329292.db2.gz DMCQLQAUACMLPI-SFHVURJKSA-N 1 2 491.637 1.728 20 0 JDADLO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001508675392 1073329302 /nfs/dbraw/zinc/32/93/02/1073329302.db2.gz DMCQLQAUACMLPI-SFHVURJKSA-N 1 2 491.637 1.728 20 0 JDADLO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001508697884 1073340759 /nfs/dbraw/zinc/34/07/59/1073340759.db2.gz FOAQLOAHPFPKSP-WORKWWTESA-N 1 2 452.625 1.077 20 0 JDADLO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001508697882 1073340847 /nfs/dbraw/zinc/34/08/47/1073340847.db2.gz FOAQLOAHPFPKSP-AWDQROCPSA-N 1 2 452.625 1.077 20 0 JDADLO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001508701670 1073343331 /nfs/dbraw/zinc/34/33/31/1073343331.db2.gz VWGWUDRYGYDLMP-GEMQDWRSSA-N 1 2 494.706 1.854 20 0 JDADLO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001508701670 1073343345 /nfs/dbraw/zinc/34/33/45/1073343345.db2.gz VWGWUDRYGYDLMP-GEMQDWRSSA-N 1 2 494.706 1.854 20 0 JDADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001508794750 1073381784 /nfs/dbraw/zinc/38/17/84/1073381784.db2.gz NLDFQELKHNCENR-IRLDBZIGSA-N 1 2 469.634 1.973 20 0 JDADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001508794750 1073381791 /nfs/dbraw/zinc/38/17/91/1073381791.db2.gz NLDFQELKHNCENR-IRLDBZIGSA-N 1 2 469.634 1.973 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001508810834 1073390646 /nfs/dbraw/zinc/39/06/46/1073390646.db2.gz IHPHKJLKYNHVKA-FQEVSTJZSA-N 1 2 499.664 1.381 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001508810834 1073390652 /nfs/dbraw/zinc/39/06/52/1073390652.db2.gz IHPHKJLKYNHVKA-FQEVSTJZSA-N 1 2 499.664 1.381 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001508814955 1073393812 /nfs/dbraw/zinc/39/38/12/1073393812.db2.gz YLEVLXSOIBYMBU-FQEVSTJZSA-N 1 2 464.574 1.731 20 0 JDADLO CC(C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508822172 1073398868 /nfs/dbraw/zinc/39/88/68/1073398868.db2.gz PQJKWKGPQLMIRC-IBGZPJMESA-N 1 2 461.655 1.772 20 0 JDADLO CC(C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508822175 1073398969 /nfs/dbraw/zinc/39/89/69/1073398969.db2.gz PQJKWKGPQLMIRC-LJQANCHMSA-N 1 2 461.655 1.772 20 0 JDADLO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508823434 1073400027 /nfs/dbraw/zinc/40/00/27/1073400027.db2.gz XXDLDZHOMABZEQ-HXUWFJFHSA-N 1 2 482.633 1.169 20 0 JDADLO CC(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001508824419 1073401228 /nfs/dbraw/zinc/40/12/28/1073401228.db2.gz VZBSTISQYHRWCQ-JOCHJYFZSA-N 1 2 484.649 1.344 20 0 JDADLO CC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001509000685 1073470550 /nfs/dbraw/zinc/47/05/50/1073470550.db2.gz DIACEBDNIBBGOO-HXUWFJFHSA-N 1 2 455.607 1.883 20 0 JDADLO CC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001509000685 1073470558 /nfs/dbraw/zinc/47/05/58/1073470558.db2.gz DIACEBDNIBBGOO-HXUWFJFHSA-N 1 2 455.607 1.883 20 0 JDADLO CC(C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001509005826 1073474083 /nfs/dbraw/zinc/47/40/83/1073474083.db2.gz YWHAPVSTGNKQOM-PZJWPPBQSA-N 1 2 455.607 1.471 20 0 JDADLO CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1([S@](C)=O)CC1 ZINC001509013717 1073476558 /nfs/dbraw/zinc/47/65/58/1073476558.db2.gz SUWZPXAOIIJJPF-GTJUCTONSA-N 1 2 461.632 1.875 20 0 JDADLO CC(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001509014487 1073478399 /nfs/dbraw/zinc/47/83/99/1073478399.db2.gz OSHDSUNPYPTHAR-SFHVURJKSA-N 1 2 483.557 1.042 20 0 JDADLO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001509042481 1073483102 /nfs/dbraw/zinc/48/31/02/1073483102.db2.gz NJTPPPVBFDEHOK-AQNXPRMDSA-N 1 2 484.667 1.204 20 0 JDADLO CC(C)Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001509177749 1073519305 /nfs/dbraw/zinc/51/93/05/1073519305.db2.gz KJWANCFXCQKHJO-SFHVURJKSA-N 1 2 471.606 1.739 20 0 JDADLO CC(C)Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001509177749 1073519324 /nfs/dbraw/zinc/51/93/24/1073519324.db2.gz KJWANCFXCQKHJO-SFHVURJKSA-N 1 2 471.606 1.739 20 0 JDADLO CC(C)Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001509206759 1073529088 /nfs/dbraw/zinc/52/90/88/1073529088.db2.gz XEVFXQWYAFRHBC-UHFFFAOYSA-N 1 2 461.636 1.992 20 0 JDADLO CC(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001509268402 1073556966 /nfs/dbraw/zinc/55/69/66/1073556966.db2.gz GWFHTANZGLXWQE-MOPGFXCFSA-N 1 2 483.683 1.457 20 0 JDADLO CC(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001509268405 1073556991 /nfs/dbraw/zinc/55/69/91/1073556991.db2.gz GWFHTANZGLXWQE-RTBURBONSA-N 1 2 483.683 1.457 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001546314152 1073562345 /nfs/dbraw/zinc/56/23/45/1073562345.db2.gz AWOQTVXXYDPYOA-OALUTQOASA-N 1 2 456.591 1.807 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC001509402309 1073576461 /nfs/dbraw/zinc/57/64/61/1073576461.db2.gz GUBKOLUKLLPCAL-FQEVSTJZSA-N 1 2 498.632 1.587 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)[C@H](C)C1=O ZINC001509406277 1073585507 /nfs/dbraw/zinc/58/55/07/1073585507.db2.gz HYRUVGXQLVLUAL-GOSISDBHSA-N 1 2 468.606 1.717 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)CC1 ZINC001509428388 1073603587 /nfs/dbraw/zinc/60/35/87/1073603587.db2.gz MYDPROUJLVEMES-SFHVURJKSA-N 1 2 461.636 1.468 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001509431906 1073609717 /nfs/dbraw/zinc/60/97/17/1073609717.db2.gz SOMJWTFOQGPXCG-IBGZPJMESA-N 1 2 460.604 1.105 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001509441975 1073622587 /nfs/dbraw/zinc/62/25/87/1073622587.db2.gz JKDWUTMPRLSPOX-BZSNNMDCSA-N 1 2 465.624 1.350 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001509441975 1073622594 /nfs/dbraw/zinc/62/25/94/1073622594.db2.gz JKDWUTMPRLSPOX-BZSNNMDCSA-N 1 2 465.624 1.350 20 0 JDADLO CC(C)COC(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001509445922 1073629654 /nfs/dbraw/zinc/62/96/54/1073629654.db2.gz KMETXEWEFJYDMZ-OALUTQOASA-N 1 2 477.610 1.255 20 0 JDADLO CC(C)COC(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001509445924 1073629734 /nfs/dbraw/zinc/62/97/34/1073629734.db2.gz KMETXEWEFJYDMZ-RBUKOAKNSA-N 1 2 477.610 1.255 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001509447043 1073631122 /nfs/dbraw/zinc/63/11/22/1073631122.db2.gz YBLGEDSAFDBNCD-AZUAARDMSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001509447043 1073631130 /nfs/dbraw/zinc/63/11/30/1073631130.db2.gz YBLGEDSAFDBNCD-AZUAARDMSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001509447047 1073632119 /nfs/dbraw/zinc/63/21/19/1073632119.db2.gz YBLGEDSAFDBNCD-ICSRJNTNSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001509447047 1073632133 /nfs/dbraw/zinc/63/21/33/1073632133.db2.gz YBLGEDSAFDBNCD-ICSRJNTNSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)COC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001509451050 1073635720 /nfs/dbraw/zinc/63/57/20/1073635720.db2.gz LJKIVGURDKIFLG-HXUWFJFHSA-N 1 2 471.606 1.899 20 0 JDADLO CC(C)COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001509451829 1073635766 /nfs/dbraw/zinc/63/57/66/1073635766.db2.gz PYSZCFQKLLGPKU-LJQANCHMSA-N 1 2 477.610 1.036 20 0 JDADLO CC(C)COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001509451829 1073635782 /nfs/dbraw/zinc/63/57/82/1073635782.db2.gz PYSZCFQKLLGPKU-LJQANCHMSA-N 1 2 477.610 1.036 20 0 JDADLO CC(C)COC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001509451046 1073635960 /nfs/dbraw/zinc/63/59/60/1073635960.db2.gz LJKIVGURDKIFLG-FQEVSTJZSA-N 1 2 471.606 1.899 20 0 JDADLO CC(C)COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001509451828 1073635987 /nfs/dbraw/zinc/63/59/87/1073635987.db2.gz PYSZCFQKLLGPKU-IBGZPJMESA-N 1 2 477.610 1.036 20 0 JDADLO CC(C)COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001509451828 1073635992 /nfs/dbraw/zinc/63/59/92/1073635992.db2.gz PYSZCFQKLLGPKU-IBGZPJMESA-N 1 2 477.610 1.036 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546314959 1073638702 /nfs/dbraw/zinc/63/87/02/1073638702.db2.gz YQSQFVWHGPZXJX-IBGZPJMESA-N 1 2 483.617 1.251 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546314966 1073638768 /nfs/dbraw/zinc/63/87/68/1073638768.db2.gz YQSQFVWHGPZXJX-LJQANCHMSA-N 1 2 483.617 1.251 20 0 JDADLO CC(C)CSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001509494329 1073649711 /nfs/dbraw/zinc/64/97/11/1073649711.db2.gz ZYHGNCYKWSAWFY-MOPGFXCFSA-N 1 2 477.679 1.751 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001509568198 1073689649 /nfs/dbraw/zinc/68/96/49/1073689649.db2.gz CNOPGIBCOLAHQH-OAQYLSRUSA-N 1 2 469.558 1.227 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001509568267 1073689890 /nfs/dbraw/zinc/68/98/90/1073689890.db2.gz NZCFNKPIDSALMG-QGZVFWFLSA-N 1 2 498.650 1.004 20 0 JDADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(CC4CCCC4)n3CCC(=O)N(C)C)CC2)C1 ZINC001509579894 1073700670 /nfs/dbraw/zinc/70/06/70/1073700670.db2.gz LMPATLMIRDRBEA-JOCHJYFZSA-N 1 2 475.682 1.720 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)Cc2ccon2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001509602802 1073726239 /nfs/dbraw/zinc/72/62/39/1073726239.db2.gz QGFBUTDCDWZRQP-FQEVSTJZSA-N 1 2 453.547 1.942 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)Cc2ccon2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001509602802 1073726246 /nfs/dbraw/zinc/72/62/46/1073726246.db2.gz QGFBUTDCDWZRQP-FQEVSTJZSA-N 1 2 453.547 1.942 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cccc2c1OCCCO2 ZINC001509604182 1073728993 /nfs/dbraw/zinc/72/89/93/1073728993.db2.gz KTNHZVRWAUHZHQ-UHFFFAOYSA-N 1 2 458.563 1.394 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CCc2nccs2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001509604325 1073729098 /nfs/dbraw/zinc/72/90/98/1073729098.db2.gz WPNDLUMZOWAYCE-UHFFFAOYSA-N 1 2 470.603 1.832 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cnn(-c2ccccc2)c1 ZINC001509606364 1073730450 /nfs/dbraw/zinc/73/04/50/1073730450.db2.gz HZMFXIDJHXBGKG-UHFFFAOYSA-N 1 2 452.563 1.419 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001509606759 1073731534 /nfs/dbraw/zinc/73/15/34/1073731534.db2.gz KOHRKQJDLLKUGT-LJQANCHMSA-N 1 2 473.597 1.850 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001509610376 1073733797 /nfs/dbraw/zinc/73/37/97/1073733797.db2.gz GGCGQKOKDAVNGZ-KRWDZBQOSA-N 1 2 454.579 1.517 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001509622943 1073746269 /nfs/dbraw/zinc/74/62/69/1073746269.db2.gz USGPYFNFTRIUCV-UHFFFAOYSA-N 1 2 477.654 1.610 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001509622943 1073746281 /nfs/dbraw/zinc/74/62/81/1073746281.db2.gz USGPYFNFTRIUCV-UHFFFAOYSA-N 1 2 477.654 1.610 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001509624463 1073747544 /nfs/dbraw/zinc/74/75/44/1073747544.db2.gz NYPNHNYBZQQVEH-FQEVSTJZSA-N 1 2 469.590 1.019 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001509624463 1073747548 /nfs/dbraw/zinc/74/75/48/1073747548.db2.gz NYPNHNYBZQQVEH-FQEVSTJZSA-N 1 2 469.590 1.019 20 0 JDADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CC1 ZINC001474935703 1069309351 /nfs/dbraw/zinc/30/93/51/1069309351.db2.gz ATVBJSLRUPPVJS-UHFFFAOYSA-N 1 2 457.394 1.772 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@H]5COC[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164388927 718818681 /nfs/dbraw/zinc/81/86/81/718818681.db2.gz RQAJBUCWUADDPL-ZWKOTPCHSA-N 1 2 458.632 1.748 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccsc4c(N4CCOCC4)n3)CC2)C1=O ZINC001164635589 719270252 /nfs/dbraw/zinc/27/02/52/719270252.db2.gz SGUFDRXBEHKBQT-UHFFFAOYSA-N 1 2 460.604 1.287 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccsc4c(N4CCOCC4)n3)CC2)C1=O ZINC001164635589 719270255 /nfs/dbraw/zinc/27/02/55/719270255.db2.gz SGUFDRXBEHKBQT-UHFFFAOYSA-N 1 2 460.604 1.287 20 0 JDADLO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)nc2N1C1CCCC1 ZINC001164638907 719274392 /nfs/dbraw/zinc/27/43/92/719274392.db2.gz FLPFJHMBECKVOL-HXUWFJFHSA-N 1 2 499.660 1.740 20 0 JDADLO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)nc2N1C1CCCC1 ZINC001164638907 719274395 /nfs/dbraw/zinc/27/43/95/719274395.db2.gz FLPFJHMBECKVOL-HXUWFJFHSA-N 1 2 499.660 1.740 20 0 JDADLO CC[C@H]1C(=O)N(C)c2cnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)nc2N1C1CCCC1 ZINC001164638280 719274407 /nfs/dbraw/zinc/27/44/07/719274407.db2.gz FLPFJHMBECKVOL-FQEVSTJZSA-N 1 2 499.660 1.740 20 0 JDADLO CC[C@H]1C(=O)N(C)c2cnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)nc2N1C1CCCC1 ZINC001164638280 719274412 /nfs/dbraw/zinc/27/44/12/719274412.db2.gz FLPFJHMBECKVOL-FQEVSTJZSA-N 1 2 499.660 1.740 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)CC2)C1=O ZINC001164644865 719280184 /nfs/dbraw/zinc/28/01/84/719280184.db2.gz UZEMJBLUGLBQFD-UHFFFAOYSA-N 1 2 453.543 1.674 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)CC2)C1=O ZINC001164644865 719280188 /nfs/dbraw/zinc/28/01/88/719280188.db2.gz UZEMJBLUGLBQFD-UHFFFAOYSA-N 1 2 453.543 1.674 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN([C@](F)(COc3cncc(Cl)n3)C(F)F)CC2)C1=O ZINC001164644291 719281234 /nfs/dbraw/zinc/28/12/34/719281234.db2.gz HASHDZSIZHSGHY-LJQANCHMSA-N 1 2 465.904 1.695 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN([C@](F)(COc3cncc(Cl)n3)C(F)F)CC2)C1=O ZINC001164644291 719281237 /nfs/dbraw/zinc/28/12/37/719281237.db2.gz HASHDZSIZHSGHY-LJQANCHMSA-N 1 2 465.904 1.695 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(S(=O)(=O)NCCC(C)C)cn3)CC2)C1=O ZINC001164644988 719281391 /nfs/dbraw/zinc/28/13/91/719281391.db2.gz ZBRBJBBPRLQOSF-UHFFFAOYSA-N 1 2 467.636 1.165 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(S(=O)(=O)NCCC(C)C)cn3)CC2)C1=O ZINC001164644988 719281397 /nfs/dbraw/zinc/28/13/97/719281397.db2.gz ZBRBJBBPRLQOSF-UHFFFAOYSA-N 1 2 467.636 1.165 20 0 JDADLO O=C(c1cccnc1N1C[C@H]2OCCN(c3ncccn3)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164690892 719800191 /nfs/dbraw/zinc/80/01/91/719800191.db2.gz BZODUQKGJHLPHN-BJKOFHAPSA-N 1 2 485.592 1.924 20 0 JDADLO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)[nH]1 ZINC001164706428 719860256 /nfs/dbraw/zinc/86/02/56/719860256.db2.gz XOVJHRBCCVDQNO-YUNKPMOVSA-N 1 2 451.911 1.631 20 0 JDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1S(=O)(=O)N1CCCC1 ZINC001164698426 719861563 /nfs/dbraw/zinc/86/15/63/719861563.db2.gz CFLKYFNDVHEIHA-UTKZUKDTSA-N 1 2 452.577 1.099 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001164704368 719863990 /nfs/dbraw/zinc/86/39/90/719863990.db2.gz LELZZWTUANNVFU-UZUQRXQVSA-N 1 2 490.582 1.905 20 0 JDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC001164699832 719868398 /nfs/dbraw/zinc/86/83/98/719868398.db2.gz BSWBDQCTIKOEJB-GCJKJVERSA-N 1 2 466.604 1.489 20 0 JDADLO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164702290 719870287 /nfs/dbraw/zinc/87/02/87/719870287.db2.gz HXIRPGYSNFOPJZ-XMSQKQJNSA-N 1 2 468.620 1.781 20 0 JDADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164708225 719870319 /nfs/dbraw/zinc/87/03/19/719870319.db2.gz YWLQQRQTSHIWJQ-JTSKRJEESA-N 1 2 468.620 1.781 20 0 JDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)cc1C(=O)OCC ZINC001164702760 719880164 /nfs/dbraw/zinc/88/01/64/719880164.db2.gz PTQOUQMNLOJXQI-QMHKHESXSA-N 1 2 463.531 1.668 20 0 JDADLO CCOC(=O)c1cc2ccnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2[nH]1 ZINC001164709655 719903356 /nfs/dbraw/zinc/90/33/56/719903356.db2.gz ZIHKCTPNAVPUFC-UHFFFAOYSA-N 1 2 451.531 1.423 20 0 JDADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708412 719904923 /nfs/dbraw/zinc/90/49/23/719904923.db2.gz CRETWDHJWRZCDR-UHFFFAOYSA-N 1 2 482.919 1.750 20 0 JDADLO COc1cc2nc(C)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2cc1OC ZINC001164708922 719908766 /nfs/dbraw/zinc/90/87/66/719908766.db2.gz NKFUUBWSHGMWMM-UHFFFAOYSA-N 1 2 465.558 1.639 20 0 JDADLO COc1cc2nc(Cl)c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2cc1OC ZINC001164709492 719909293 /nfs/dbraw/zinc/90/92/93/719909293.db2.gz WIZCDDNSLYDPCE-UHFFFAOYSA-N 1 2 485.976 1.984 20 0 JDADLO COc1cc2c(cc1Cl)ncnc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708949 719910201 /nfs/dbraw/zinc/91/02/01/719910201.db2.gz NZJSETPXAQQYHN-UHFFFAOYSA-N 1 2 455.950 1.976 20 0 JDADLO COc1cc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c(OC)c1 ZINC001164709516 719910632 /nfs/dbraw/zinc/91/06/32/719910632.db2.gz XQUASUJLGTZQCG-UHFFFAOYSA-N 1 2 451.531 1.331 20 0 JDADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708846 719910790 /nfs/dbraw/zinc/91/07/90/719910790.db2.gz KASASUIWJYZISQ-UHFFFAOYSA-N 1 2 460.966 1.904 20 0 JDADLO Cc1nc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(Cl)c1C ZINC001164709331 719914893 /nfs/dbraw/zinc/91/48/93/719914893.db2.gz STUHXYBTFNASDY-UHFFFAOYSA-N 1 2 453.925 1.976 20 0 JDADLO Cc1cc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc(N3CCOCC3)c2s1 ZINC001164708674 719915609 /nfs/dbraw/zinc/91/56/09/719915609.db2.gz GMXSOVMTUSWJRH-UHFFFAOYSA-N 1 2 496.641 1.520 20 0 JDADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708836 719917014 /nfs/dbraw/zinc/91/70/14/719917014.db2.gz UDWIMNXYBBFSSZ-UHFFFAOYSA-N 1 2 497.600 1.537 20 0 JDADLO C[C@H]1CCCN(C(=O)c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2)C1 ZINC001164708774 719921026 /nfs/dbraw/zinc/92/10/26/719921026.db2.gz PSNVBGYQVQQRQK-SFHVURJKSA-N 1 2 465.602 1.638 20 0 JDADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164709129 719924338 /nfs/dbraw/zinc/92/43/38/719924338.db2.gz YQUYGZPLIDKJCE-UHFFFAOYSA-N 1 2 489.646 1.232 20 0 JDADLO COc1ccc2nc(Cl)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164703724 719931439 /nfs/dbraw/zinc/93/14/39/719931439.db2.gz LXARLYCFYAGSII-UHFFFAOYSA-N 1 2 455.950 1.976 20 0 JDADLO CCOC(=O)c1cnc(SC)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164703238 719931491 /nfs/dbraw/zinc/93/14/91/719931491.db2.gz JPKVNMOULNLNBG-UHFFFAOYSA-N 1 2 459.576 1.059 20 0 JDADLO COc1ccc(CN(C)c2cc[nH+]c(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)n2)cc1 ZINC001164708558 719933970 /nfs/dbraw/zinc/93/39/70/719933970.db2.gz LBVGOSMKQPTETR-UHFFFAOYSA-N 1 2 490.612 1.805 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncccc1C(=O)NCc1ccccc1)CC2 ZINC001164704814 719936483 /nfs/dbraw/zinc/93/64/83/719936483.db2.gz SMMRRWSPLCDAFC-UHFFFAOYSA-N 1 2 473.581 1.695 20 0 JDADLO COc1nnc(Cl)cc1C(F)(F)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164711576 719938147 /nfs/dbraw/zinc/93/81/47/719938147.db2.gz IOUDGOUMBCJPJF-UHFFFAOYSA-N 1 2 455.897 1.367 20 0 JDADLO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164714574 720049314 /nfs/dbraw/zinc/04/93/14/720049314.db2.gz QHGWWJQRARCFGC-ZDUSSCGKSA-N 1 2 461.954 1.090 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C(=O)OC)nc3Cl)C2)C1 ZINC001164717578 720244680 /nfs/dbraw/zinc/24/46/80/720244680.db2.gz BLNSEUDXQBGHDG-LJQANCHMSA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C(=O)OC)nc3Cl)C2)C1 ZINC001164717578 720244683 /nfs/dbraw/zinc/24/46/83/720244683.db2.gz BLNSEUDXQBGHDG-LJQANCHMSA-N 1 2 460.909 1.731 20 0 JDADLO CC[C@@H]1C(=O)Nc2cnc(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164719798 720248655 /nfs/dbraw/zinc/24/86/55/720248655.db2.gz PBKAKSXPJWUATF-CJFMBICVSA-N 1 2 485.633 1.621 20 0 JDADLO CC[C@@H]1C(=O)Nc2cnc(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164719798 720248664 /nfs/dbraw/zinc/24/86/64/720248664.db2.gz PBKAKSXPJWUATF-CJFMBICVSA-N 1 2 485.633 1.621 20 0 JDADLO CC[C@H]1C(=O)N(C)c2cnc(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164720687 720249608 /nfs/dbraw/zinc/24/96/08/720249608.db2.gz ZPXITSIMSQFDCY-RXFWQSSRSA-N 1 2 499.660 1.645 20 0 JDADLO CC[C@H]1C(=O)N(C)c2cnc(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164720687 720249618 /nfs/dbraw/zinc/24/96/18/720249618.db2.gz ZPXITSIMSQFDCY-RXFWQSSRSA-N 1 2 499.660 1.645 20 0 JDADLO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164720664 720249728 /nfs/dbraw/zinc/24/97/28/720249728.db2.gz ZPXITSIMSQFDCY-FQRUVTKNSA-N 1 2 499.660 1.645 20 0 JDADLO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164720664 720249733 /nfs/dbraw/zinc/24/97/33/720249733.db2.gz ZPXITSIMSQFDCY-FQRUVTKNSA-N 1 2 499.660 1.645 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C(=O)OC)cc(Cl)n3)C2)C1 ZINC001164719407 720259892 /nfs/dbraw/zinc/25/98/92/720259892.db2.gz MMGQODSNZFUSSS-LJQANCHMSA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C(=O)OC)cc(Cl)n3)C2)C1 ZINC001164719407 720259895 /nfs/dbraw/zinc/25/98/95/720259895.db2.gz MMGQODSNZFUSSS-LJQANCHMSA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C2)C1 ZINC001164720196 720259993 /nfs/dbraw/zinc/25/99/93/720259993.db2.gz SFNMMMYVCYNSJW-FQEVSTJZSA-N 1 2 473.405 1.285 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C2)C1 ZINC001164720196 720259995 /nfs/dbraw/zinc/25/99/95/720259995.db2.gz SFNMMMYVCYNSJW-FQEVSTJZSA-N 1 2 473.405 1.285 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C2)C1 ZINC001164720197 720260660 /nfs/dbraw/zinc/26/06/60/720260660.db2.gz SFNMMMYVCYNSJW-HXUWFJFHSA-N 1 2 473.405 1.285 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C2)C1 ZINC001164720197 720260664 /nfs/dbraw/zinc/26/06/64/720260664.db2.gz SFNMMMYVCYNSJW-HXUWFJFHSA-N 1 2 473.405 1.285 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C(=O)OC)cc(Cl)n3)C2)C1 ZINC001164719406 720260758 /nfs/dbraw/zinc/26/07/58/720260758.db2.gz MMGQODSNZFUSSS-IBGZPJMESA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C(=O)OC)cc(Cl)n3)C2)C1 ZINC001164719406 720260761 /nfs/dbraw/zinc/26/07/61/720260761.db2.gz MMGQODSNZFUSSS-IBGZPJMESA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4cc(C)sc4c(N4CCOCC4)n3)C2)C1 ZINC001164717536 720265987 /nfs/dbraw/zinc/26/59/87/720265987.db2.gz ANQHXNZHIZROSI-HSZRJFAPSA-N 1 2 474.631 1.501 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4cc(C)sc4c(N4CCOCC4)n3)C2)C1 ZINC001164717536 720265999 /nfs/dbraw/zinc/26/59/99/720265999.db2.gz ANQHXNZHIZROSI-HSZRJFAPSA-N 1 2 474.631 1.501 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4ccn(S(=O)(=O)c5ccccc5)c4n3)C2)C1 ZINC001164720901 720281384 /nfs/dbraw/zinc/28/13/84/720281384.db2.gz FNDBCNOMIYWXTP-DEOSSOPVSA-N 1 2 498.609 1.333 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4ccn(S(=O)(=O)c5ccccc5)c4n3)C2)C1 ZINC001164720901 720281394 /nfs/dbraw/zinc/28/13/94/720281394.db2.gz FNDBCNOMIYWXTP-DEOSSOPVSA-N 1 2 498.609 1.333 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)Nc4nncs4)cc3Cl)C2)C1 ZINC001164721834 720292512 /nfs/dbraw/zinc/29/25/12/720292512.db2.gz MCMXAIZPUANZDO-FQEVSTJZSA-N 1 2 479.994 1.504 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)Nc4nncs4)cc3Cl)C2)C1 ZINC001164721834 720292518 /nfs/dbraw/zinc/29/25/18/720292518.db2.gz MCMXAIZPUANZDO-FQEVSTJZSA-N 1 2 479.994 1.504 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@](F)(COc3cncc(Cl)n3)C(F)F)C2)C1 ZINC001164720964 720294481 /nfs/dbraw/zinc/29/44/81/720294481.db2.gz GFYWUFQVUJJYOY-RBUKOAKNSA-N 1 2 465.904 1.600 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@](F)(COc3cncc(Cl)n3)C(F)F)C2)C1 ZINC001164720964 720294492 /nfs/dbraw/zinc/29/44/92/720294492.db2.gz GFYWUFQVUJJYOY-RBUKOAKNSA-N 1 2 465.904 1.600 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)N5CCOCC5)cn4)CC3)C2=O)cs1 ZINC001164826688 720360455 /nfs/dbraw/zinc/36/04/55/720360455.db2.gz YGORHURJWNWVHI-UHFFFAOYSA-N 1 2 484.626 1.632 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)N5CCOCC5)cn4)CC3)C2=O)cs1 ZINC001164826688 720360462 /nfs/dbraw/zinc/36/04/62/720360462.db2.gz YGORHURJWNWVHI-UHFFFAOYSA-N 1 2 484.626 1.632 20 0 JDADLO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164825717 720368030 /nfs/dbraw/zinc/36/80/30/720368030.db2.gz UGOZVWCPGWOIKO-UHFFFAOYSA-N 1 2 474.587 1.740 20 0 JDADLO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164825717 720368039 /nfs/dbraw/zinc/36/80/39/720368039.db2.gz UGOZVWCPGWOIKO-UHFFFAOYSA-N 1 2 474.587 1.740 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5c(n4)N4CCC[C@H]4C(=O)N5C)CC3)C2=O)cs1 ZINC001164819721 720371785 /nfs/dbraw/zinc/37/17/85/720371785.db2.gz HDQBORCVAAHJJN-SFHVURJKSA-N 1 2 496.641 1.500 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5c(n4)N4CCC[C@H]4C(=O)N5C)CC3)C2=O)cs1 ZINC001164819721 720371791 /nfs/dbraw/zinc/37/17/91/720371791.db2.gz HDQBORCVAAHJJN-SFHVURJKSA-N 1 2 496.641 1.500 20 0 JDADLO CCOC(=O)Cc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164821164 720373678 /nfs/dbraw/zinc/37/36/78/720373678.db2.gz YNOQFWWXJIIDHD-UHFFFAOYSA-N 1 2 458.588 1.660 20 0 JDADLO CCOC(=O)Cc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164821164 720373684 /nfs/dbraw/zinc/37/36/84/720373684.db2.gz YNOQFWWXJIIDHD-UHFFFAOYSA-N 1 2 458.588 1.660 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(Cn5cncn5)cn4)CC3)C2=O)cs1 ZINC001164819485 720378950 /nfs/dbraw/zinc/37/89/50/720378950.db2.gz FFOKKQXLOYOMTA-UHFFFAOYSA-N 1 2 452.588 1.800 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(Cn5cncn5)cn4)CC3)C2=O)cs1 ZINC001164819485 720378956 /nfs/dbraw/zinc/37/89/56/720378956.db2.gz FFOKKQXLOYOMTA-UHFFFAOYSA-N 1 2 452.588 1.800 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)NC5CC5)nn4)CC3)C2=O)cs1 ZINC001164826030 720380677 /nfs/dbraw/zinc/38/06/77/720380677.db2.gz WHVATJGOEXZYOS-UHFFFAOYSA-N 1 2 455.588 1.447 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)NC5CC5)nn4)CC3)C2=O)cs1 ZINC001164826030 720380685 /nfs/dbraw/zinc/38/06/85/720380685.db2.gz WHVATJGOEXZYOS-UHFFFAOYSA-N 1 2 455.588 1.447 20 0 JDADLO COC(=O)c1ncnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1OC ZINC001164821513 720385310 /nfs/dbraw/zinc/38/53/10/720385310.db2.gz HLGWKYFYCRUJRD-UHFFFAOYSA-N 1 2 460.560 1.350 20 0 JDADLO COC(=O)c1ncnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1OC ZINC001164821513 720385315 /nfs/dbraw/zinc/38/53/15/720385315.db2.gz HLGWKYFYCRUJRD-UHFFFAOYSA-N 1 2 460.560 1.350 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164824920 720431914 /nfs/dbraw/zinc/43/19/14/720431914.db2.gz MMQKVPMQKVGVEC-CQSZACIVSA-N 1 2 484.935 1.565 20 0 JDADLO COC(=O)c1cnc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826447 720432081 /nfs/dbraw/zinc/43/20/81/720432081.db2.gz QKGSOJQWUOXTRY-AWEZNQCLSA-N 1 2 450.927 1.103 20 0 JDADLO CCOC(=O)c1nc2ccccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825818 720433176 /nfs/dbraw/zinc/43/31/76/720433176.db2.gz UZMTYKXWJHTHDD-SFHVURJKSA-N 1 2 480.569 1.993 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C(=O)N1CCCCC1)C2 ZINC001164828155 720433405 /nfs/dbraw/zinc/43/34/05/720433405.db2.gz WNWFJVFBCVPWOZ-FQEVSTJZSA-N 1 2 468.602 1.894 20 0 JDADLO COC(=O)c1ccc2c(c1)ncnc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822685 720436238 /nfs/dbraw/zinc/43/62/38/720436238.db2.gz GETHNXCCMKRPFC-GOSISDBHSA-N 1 2 466.542 1.603 20 0 JDADLO COC(=O)c1ccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ncc2c1 ZINC001164825181 720436961 /nfs/dbraw/zinc/43/69/61/720436961.db2.gz QLJZFDFCOZHUPZ-IBGZPJMESA-N 1 2 466.542 1.603 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ccsc3c(N3CCOCC3)n1)C2 ZINC001164821903 720437430 /nfs/dbraw/zinc/43/74/30/720437430.db2.gz AOQYHEKWRHWQMO-GOSISDBHSA-N 1 2 499.641 1.714 20 0 JDADLO COc1cc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2cc1OC ZINC001164825585 720438021 /nfs/dbraw/zinc/43/80/21/720438021.db2.gz SIWQWXBUIFTKEY-KRWDZBQOSA-N 1 2 468.558 1.833 20 0 JDADLO COC(=O)c1cccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ncc21 ZINC001164824644 720441996 /nfs/dbraw/zinc/44/19/96/720441996.db2.gz OKEQPLIDWZWFPQ-KRWDZBQOSA-N 1 2 466.542 1.603 20 0 JDADLO COC(=O)c1c[nH]c2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ccc12 ZINC001164824157 720442896 /nfs/dbraw/zinc/44/28/96/720442896.db2.gz MVTDCWCKKLIWDV-MRXNPFEDSA-N 1 2 454.531 1.536 20 0 JDADLO CCOC(=O)c1nnc(Cl)cc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164827045 720449201 /nfs/dbraw/zinc/44/92/01/720449201.db2.gz YSOFNLWIVKFISJ-OAHLLOKOSA-N 1 2 464.954 1.493 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC001164822710 720450316 /nfs/dbraw/zinc/45/03/16/720450316.db2.gz HAHMEIBIIJREJH-HXUWFJFHSA-N 1 2 493.612 1.653 20 0 JDADLO COC(=O)c1nc(Cl)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164821934 720454228 /nfs/dbraw/zinc/45/42/28/720454228.db2.gz AVDQRXAKOPNUGT-CQSZACIVSA-N 1 2 450.927 1.103 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)nc(Cl)nc1C(N)=O)C2 ZINC001164828884 720457548 /nfs/dbraw/zinc/45/75/48/720457548.db2.gz BSENZSBPFKDXHI-LBPRGKRZSA-N 1 2 470.361 1.068 20 0 JDADLO COC(=O)c1cc2ccncc2nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831752 720458091 /nfs/dbraw/zinc/45/80/91/720458091.db2.gz PKEICIGSRWUJEH-SFHVURJKSA-N 1 2 466.542 1.603 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164830605 720458472 /nfs/dbraw/zinc/45/84/72/720458472.db2.gz KFQFZFGIXIQNAR-QGZVFWFLSA-N 1 2 458.563 1.618 20 0 JDADLO COc1cc2c(cc1F)ncnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831134 720461771 /nfs/dbraw/zinc/46/17/71/720461771.db2.gz MUOYUPKNBCEUMA-INIZCTEOSA-N 1 2 456.522 1.964 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164833126 720463755 /nfs/dbraw/zinc/46/37/55/720463755.db2.gz YTVWUIUYPXDKSR-IBGZPJMESA-N 1 2 456.591 1.796 20 0 JDADLO COC(=O)/C=C/c1cc2cc[nH]c2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164832639 720465920 /nfs/dbraw/zinc/46/59/20/720465920.db2.gz UQZNEZFHYMQDFP-GNAXCBTBSA-N 1 2 480.569 1.935 20 0 JDADLO COC(=O)c1cc2c[nH]c(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)cc-2n1 ZINC001164831194 720466537 /nfs/dbraw/zinc/46/65/37/720466537.db2.gz NJYQEGWNBJDVCB-QGZVFWFLSA-N 1 2 454.531 1.536 20 0 JDADLO COC(=O)c1c(Cl)cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1OC ZINC001164833080 720466773 /nfs/dbraw/zinc/46/67/73/720466773.db2.gz YGNMDZIWDOYIAD-OAHLLOKOSA-N 1 2 479.965 1.716 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3c1N(C)CCO3)C2 ZINC001164831796 720468169 /nfs/dbraw/zinc/46/81/69/720468169.db2.gz QMTLGHURVSRGFR-OAHLLOKOSA-N 1 2 463.970 1.145 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(S(=O)(=O)N3CCCC3)cn1)C2 ZINC001164832309 720471565 /nfs/dbraw/zinc/47/15/65/720471565.db2.gz TWUPPCOHIBVXAR-IBGZPJMESA-N 1 2 490.630 1.052 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)C2 ZINC001164831728 720472162 /nfs/dbraw/zinc/47/21/62/720472162.db2.gz PAPWELRRRZAKDG-LJQANCHMSA-N 1 2 497.600 1.098 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(C(N)=O)cc3ccccc31)C2 ZINC001164830569 720473861 /nfs/dbraw/zinc/47/38/61/720473861.db2.gz KDYOBQSYLRZLMI-SFHVURJKSA-N 1 2 450.543 1.520 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)NC3CCCC3)nn1)C2 ZINC001164830719 720474555 /nfs/dbraw/zinc/47/45/55/720474555.db2.gz LHFHFUKPONICGU-SFHVURJKSA-N 1 2 469.590 1.335 20 0 JDADLO COC(=O)c1nc(Cl)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828784 720476230 /nfs/dbraw/zinc/47/62/30/720476230.db2.gz ARQOLSGWBKFOJY-CQSZACIVSA-N 1 2 450.927 1.103 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164832844 720477657 /nfs/dbraw/zinc/47/76/57/720477657.db2.gz LMCVRRAYFQAGGC-ZDUSSCGKSA-N 1 2 479.372 1.913 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CN(C)CC3)C2 ZINC001164833461 720480842 /nfs/dbraw/zinc/48/08/42/720480842.db2.gz OMMJNXHYCIXGQR-INIZCTEOSA-N 1 2 461.998 1.304 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)C2 ZINC001164830423 720482132 /nfs/dbraw/zinc/48/21/32/720482132.db2.gz BOBCFXZHSWXPOE-IRXDYDNUSA-N 1 2 478.981 1.484 20 0 JDADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164832861 720482699 /nfs/dbraw/zinc/48/26/99/720482699.db2.gz LTAZXWGYFYJWSM-CVEARBPZSA-N 1 2 478.981 1.593 20 0 JDADLO COC(=O)c1nc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)n1 ZINC001164834499 720482730 /nfs/dbraw/zinc/48/27/30/720482730.db2.gz SRSWBHFEZIMSNO-CYBMUJFWSA-N 1 2 485.372 1.756 20 0 JDADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)CNC3)[C@H]2CCCO[C@@H]12 ZINC001164802336 721573724 /nfs/dbraw/zinc/57/37/24/721573724.db2.gz ICHQCMUPNSGFOL-BHDDXSALSA-N 1 2 451.575 1.180 20 0 JDADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)CNC3)[C@H]2CCCO[C@@H]12 ZINC001164802336 721573726 /nfs/dbraw/zinc/57/37/26/721573726.db2.gz ICHQCMUPNSGFOL-BHDDXSALSA-N 1 2 451.575 1.180 20 0 JDADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)CNC3)[C@@H]2CCCO[C@@H]12 ZINC001164802350 721573787 /nfs/dbraw/zinc/57/37/87/721573787.db2.gz ICHQCMUPNSGFOL-YPAWHYETSA-N 1 2 451.575 1.180 20 0 JDADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)CNC3)[C@@H]2CCCO[C@@H]12 ZINC001164802350 721573789 /nfs/dbraw/zinc/57/37/89/721573789.db2.gz ICHQCMUPNSGFOL-YPAWHYETSA-N 1 2 451.575 1.180 20 0 JDADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001164798082 721597714 /nfs/dbraw/zinc/59/77/14/721597714.db2.gz IVDCBHUTHKWAQY-UEVCKROQSA-N 1 2 457.538 1.459 20 0 JDADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001164798082 721597716 /nfs/dbraw/zinc/59/77/16/721597716.db2.gz IVDCBHUTHKWAQY-UEVCKROQSA-N 1 2 457.538 1.459 20 0 JDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc(N)cc(Cl)n1)CC2 ZINC001165016299 721765988 /nfs/dbraw/zinc/76/59/88/721765988.db2.gz VRVAHSPKKNHQML-UHFFFAOYSA-N 1 2 450.881 1.785 20 0 JDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1nc(Cl)nc3c1CN(C)CC3)CC2 ZINC001165014949 721766269 /nfs/dbraw/zinc/76/62/69/721766269.db2.gz KBQLURUQQBKVTM-UHFFFAOYSA-N 1 2 455.954 1.041 20 0 JDADLO CCOC(=O)c1cnc(SC)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913007 721768328 /nfs/dbraw/zinc/76/83/28/721768328.db2.gz SXJSFWPLOZPVAM-QFIPXVFZSA-N 1 2 459.572 1.878 20 0 JDADLO CCOC(=O)c1cnc(SC)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913007 721768332 /nfs/dbraw/zinc/76/83/32/721768332.db2.gz SXJSFWPLOZPVAM-QFIPXVFZSA-N 1 2 459.572 1.878 20 0 JDADLO O=C(c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1)N1CCOCC1 ZINC001164912745 721769955 /nfs/dbraw/zinc/76/99/55/721769955.db2.gz PHMJCINCRHLPJW-XMMPIXPASA-N 1 2 453.543 1.057 20 0 JDADLO O=C(c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1)N1CCOCC1 ZINC001164912745 721769959 /nfs/dbraw/zinc/76/99/59/721769959.db2.gz PHMJCINCRHLPJW-XMMPIXPASA-N 1 2 453.543 1.057 20 0 JDADLO CCOC(=O)c1nnc(SC)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912020 721776356 /nfs/dbraw/zinc/77/63/56/721776356.db2.gz JHYRZUDIKTWLMO-NRFANRHFSA-N 1 2 460.560 1.273 20 0 JDADLO CCOC(=O)c1nnc(SC)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912020 721776360 /nfs/dbraw/zinc/77/63/60/721776360.db2.gz JHYRZUDIKTWLMO-NRFANRHFSA-N 1 2 460.560 1.273 20 0 JDADLO c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(N3CCOCC3)nc2c1 ZINC001164917619 721781985 /nfs/dbraw/zinc/78/19/85/721781985.db2.gz YJQQZQAVCDUJMH-SANMLTNESA-N 1 2 476.581 1.969 20 0 JDADLO c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(N3CCOCC3)nc2c1 ZINC001164917619 721781987 /nfs/dbraw/zinc/78/19/87/721781987.db2.gz YJQQZQAVCDUJMH-SANMLTNESA-N 1 2 476.581 1.969 20 0 JDADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915557 721784067 /nfs/dbraw/zinc/78/40/67/721784067.db2.gz LBWYIMYITYHZBU-QFIPXVFZSA-N 1 2 461.950 1.738 20 0 JDADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915557 721784074 /nfs/dbraw/zinc/78/40/74/721784074.db2.gz LBWYIMYITYHZBU-QFIPXVFZSA-N 1 2 461.950 1.738 20 0 JDADLO COc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(N2CCCCCC2)n1 ZINC001164914945 721793097 /nfs/dbraw/zinc/79/30/97/721793097.db2.gz RPVFTZLUTGYUEK-XMMPIXPASA-N 1 2 469.590 1.763 20 0 JDADLO COc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(N2CCCCCC2)n1 ZINC001164914945 721793100 /nfs/dbraw/zinc/79/31/00/721793100.db2.gz RPVFTZLUTGYUEK-XMMPIXPASA-N 1 2 469.590 1.763 20 0 JDADLO CC(C)NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913467 721794158 /nfs/dbraw/zinc/79/41/58/721794158.db2.gz DIPWVAOMKHTLDB-JOCHJYFZSA-N 1 2 461.588 1.271 20 0 JDADLO CC(C)NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913467 721794161 /nfs/dbraw/zinc/79/41/61/721794161.db2.gz DIPWVAOMKHTLDB-JOCHJYFZSA-N 1 2 461.588 1.271 20 0 JDADLO Clc1cc(O[C@@H]2CCOC2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914453 721800805 /nfs/dbraw/zinc/80/08/05/721800805.db2.gz NKOCYBAHCQFQFO-GCJKJVERSA-N 1 2 461.950 1.801 20 0 JDADLO Clc1cc(O[C@@H]2CCOC2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914453 721800806 /nfs/dbraw/zinc/80/08/06/721800806.db2.gz NKOCYBAHCQFQFO-GCJKJVERSA-N 1 2 461.950 1.801 20 0 JDADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913928 721800982 /nfs/dbraw/zinc/80/09/82/721800982.db2.gz IWBDIPGRMVKMBQ-ZHRRBRCNSA-N 1 2 461.950 1.909 20 0 JDADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913928 721800984 /nfs/dbraw/zinc/80/09/84/721800984.db2.gz IWBDIPGRMVKMBQ-ZHRRBRCNSA-N 1 2 461.950 1.909 20 0 JDADLO CCOC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C(=O)OCC ZINC001164914223 721801378 /nfs/dbraw/zinc/80/13/78/721801378.db2.gz KVLUZQBJLHLEPL-VWLOTQADSA-N 1 2 484.553 1.938 20 0 JDADLO CCOC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C(=O)OCC ZINC001164914223 721801379 /nfs/dbraw/zinc/80/13/79/721801379.db2.gz KVLUZQBJLHLEPL-VWLOTQADSA-N 1 2 484.553 1.938 20 0 JDADLO CCOC(=O)[C@H]1CCc2nnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2C1 ZINC001164914749 721801593 /nfs/dbraw/zinc/80/15/93/721801593.db2.gz RGDBQBXCLRCNTQ-CPJSRVTESA-N 1 2 467.570 1.647 20 0 JDADLO CCOC(=O)[C@H]1CCc2nnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2C1 ZINC001164914749 721801595 /nfs/dbraw/zinc/80/15/95/721801595.db2.gz RGDBQBXCLRCNTQ-CPJSRVTESA-N 1 2 467.570 1.647 20 0 JDADLO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918975 721817028 /nfs/dbraw/zinc/81/70/28/721817028.db2.gz XVLKABHZMWJWGM-UHFFFAOYSA-N 1 2 458.954 1.989 20 0 JDADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)CC1 ZINC001164919090 721817881 /nfs/dbraw/zinc/81/78/81/721817881.db2.gz ZZULSCVDXATZBM-UHFFFAOYSA-N 1 2 460.938 1.873 20 0 JDADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)CC1 ZINC001164919090 721817886 /nfs/dbraw/zinc/81/78/86/721817886.db2.gz ZZULSCVDXATZBM-UHFFFAOYSA-N 1 2 460.938 1.873 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5[C@H]4CCC(=O)N5C)nc(N4CCOCC4)c3s2)CC1 ZINC001164933963 721893089 /nfs/dbraw/zinc/89/30/89/721893089.db2.gz NQXGGMHLADKYHV-WOJBJXKFSA-N 1 2 485.658 1.475 20 0 JDADLO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)cc2C1 ZINC001164945807 721978959 /nfs/dbraw/zinc/97/89/59/721978959.db2.gz GHYXFSXBMUUQCZ-UHFFFAOYSA-N 1 2 464.570 1.962 20 0 JDADLO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)cc2C1 ZINC001164945807 721978961 /nfs/dbraw/zinc/97/89/61/721978961.db2.gz GHYXFSXBMUUQCZ-UHFFFAOYSA-N 1 2 464.570 1.962 20 0 JDADLO CS(=O)(=O)N1C[C@H]2CCCN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001164949366 721984287 /nfs/dbraw/zinc/98/42/87/721984287.db2.gz PAZFHSJLAFLTAX-FYYLOGMGSA-N 1 2 483.638 1.900 20 0 JDADLO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001164949066 721987602 /nfs/dbraw/zinc/98/76/02/721987602.db2.gz GCKCLSWAIWLGTI-VQTJNVASSA-N 1 2 456.616 1.599 20 0 JDADLO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001164949066 721987604 /nfs/dbraw/zinc/98/76/04/721987604.db2.gz GCKCLSWAIWLGTI-VQTJNVASSA-N 1 2 456.616 1.599 20 0 JDADLO 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CN(C)c1[nH+]cc(CNS(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)n1C ZINC001474939171 1069311671 /nfs/dbraw/zinc/31/16/71/1069311671.db2.gz HSLLASJLAPTOLB-XMMPIXPASA-N 1 2 450.384 1.740 20 0 JDADLO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001475003695 1069331605 /nfs/dbraw/zinc/33/16/05/1069331605.db2.gz JNSFQLQAYOTOAQ-UHFFFAOYSA-N 1 2 459.634 1.247 20 0 JDADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC001475034755 1069340614 /nfs/dbraw/zinc/34/06/14/1069340614.db2.gz BHQJGCHIYSKCNZ-NHCUHLMSSA-N 1 2 453.605 1.896 20 0 JDADLO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC001475027136 1069338404 /nfs/dbraw/zinc/33/84/04/1069338404.db2.gz GNMFIAPVPWFRGO-NSHDSACASA-N 1 2 453.380 1.640 20 0 JDADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC001475034754 1069340787 /nfs/dbraw/zinc/34/07/87/1069340787.db2.gz BHQJGCHIYSKCNZ-LEWJYISDSA-N 1 2 453.605 1.896 20 0 JDADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC1 ZINC001475066073 1069348166 /nfs/dbraw/zinc/34/81/66/1069348166.db2.gz HVNPOPICZIMVIB-NRSPTQNISA-N 1 2 481.615 1.981 20 0 JDADLO CCCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001501012267 1069356161 /nfs/dbraw/zinc/35/61/61/1069356161.db2.gz JTNQLHXBKJAOMO-RDPSFJRHSA-N 1 2 478.638 1.488 20 0 JDADLO CCCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001501012268 1069356249 /nfs/dbraw/zinc/35/62/49/1069356249.db2.gz JTNQLHXBKJAOMO-YKSBVNFPSA-N 1 2 478.638 1.488 20 0 JDADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)[C@H]1c1ccc(F)cc1 ZINC001475104454 1069359900 /nfs/dbraw/zinc/35/99/00/1069359900.db2.gz ACOTXORDBUHFMA-YLJYHZDGSA-N 1 2 453.561 1.990 20 0 JDADLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)[C@H]1c1ccc(F)cc1 ZINC001475104454 1069359915 /nfs/dbraw/zinc/35/99/15/1069359915.db2.gz ACOTXORDBUHFMA-YLJYHZDGSA-N 1 2 453.561 1.990 20 0 JDADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)[C@@H]1c1ccc(F)cc1 ZINC001475104452 1069360179 /nfs/dbraw/zinc/36/01/79/1069360179.db2.gz ACOTXORDBUHFMA-XLIONFOSSA-N 1 2 453.561 1.990 20 0 JDADLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)[C@@H]1c1ccc(F)cc1 ZINC001475104452 1069360190 /nfs/dbraw/zinc/36/01/90/1069360190.db2.gz ACOTXORDBUHFMA-XLIONFOSSA-N 1 2 453.561 1.990 20 0 JDADLO CCCn1nc(-c2nnc(N(C)CCC(=O)NC)n2C[C@H](C)[NH+]2CCOCC2)c2ccccc2c1=O ZINC001501069442 1069374116 /nfs/dbraw/zinc/37/41/16/1069374116.db2.gz HCIDDQPAESOFPD-SFHVURJKSA-N 1 2 496.616 1.358 20 0 JDADLO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001501055056 1069370975 /nfs/dbraw/zinc/37/09/75/1069370975.db2.gz KYAWWNZCLHNBFR-KSZLIROESA-N 1 2 475.681 1.314 20 0 JDADLO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001501055056 1069370980 /nfs/dbraw/zinc/37/09/80/1069370980.db2.gz KYAWWNZCLHNBFR-KSZLIROESA-N 1 2 475.681 1.314 20 0 JDADLO COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC001475203714 1069395325 /nfs/dbraw/zinc/39/53/25/1069395325.db2.gz UAUPFCOHPFVBFH-LZNQSLFOSA-N 1 2 456.561 1.356 20 0 JDADLO COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC001475203714 1069395342 /nfs/dbraw/zinc/39/53/42/1069395342.db2.gz UAUPFCOHPFVBFH-LZNQSLFOSA-N 1 2 456.561 1.356 20 0 JDADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@H](C)C1 ZINC001475216391 1069398820 /nfs/dbraw/zinc/39/88/20/1069398820.db2.gz UYZBWYRTEABGSB-MOPGFXCFSA-N 1 2 453.605 1.752 20 0 JDADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@H](C)C1 ZINC001475216391 1069398833 /nfs/dbraw/zinc/39/88/33/1069398833.db2.gz UYZBWYRTEABGSB-MOPGFXCFSA-N 1 2 453.605 1.752 20 0 JDADLO CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001501144760 1069412882 /nfs/dbraw/zinc/41/28/82/1069412882.db2.gz ADKFOPVYOVHWSJ-UHFFFAOYSA-N 1 2 471.581 1.892 20 0 JDADLO CCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001501140280 1069411477 /nfs/dbraw/zinc/41/14/77/1069411477.db2.gz HJETWMCMZQBUBH-IBGZPJMESA-N 1 2 455.607 1.727 20 0 JDADLO CCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001501140280 1069411485 /nfs/dbraw/zinc/41/14/85/1069411485.db2.gz HJETWMCMZQBUBH-IBGZPJMESA-N 1 2 455.607 1.727 20 0 JDADLO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001501162103 1069421073 /nfs/dbraw/zinc/42/10/73/1069421073.db2.gz AKEHRGRDFNFWCI-IBGZPJMESA-N 1 2 470.622 1.713 20 0 JDADLO CCCNC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001501172694 1069429215 /nfs/dbraw/zinc/42/92/15/1069429215.db2.gz ALIQUMFRTMIASP-FQEVSTJZSA-N 1 2 482.633 1.313 20 0 JDADLO CCCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001501199693 1069450738 /nfs/dbraw/zinc/45/07/38/1069450738.db2.gz ZTNIRTBRCKNGMD-UHFFFAOYSA-N 1 2 452.563 1.425 20 0 JDADLO CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001501201877 1069451432 /nfs/dbraw/zinc/45/14/32/1069451432.db2.gz NYPXPAGXTZXYPC-GOSISDBHSA-N 1 2 459.982 1.731 20 0 JDADLO CCCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001501204142 1069454644 /nfs/dbraw/zinc/45/46/44/1069454644.db2.gz KQROQENMLJXEPS-OAQYLSRUSA-N 1 2 461.655 1.693 20 0 JDADLO CCCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001501212700 1069461856 /nfs/dbraw/zinc/46/18/56/1069461856.db2.gz JWXMVCITCQUOPC-JOCHJYFZSA-N 1 2 475.682 1.768 20 0 JDADLO CCCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001501218347 1069466465 /nfs/dbraw/zinc/46/64/65/1069466465.db2.gz RJYSIBWLJZSXEX-UHFFFAOYSA-N 1 2 468.537 1.947 20 0 JDADLO CCCNC(=O)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001501219940 1069466976 /nfs/dbraw/zinc/46/69/76/1069466976.db2.gz BTCYVQRYTUVZRD-DEOSSOPVSA-N 1 2 471.606 1.869 20 0 JDADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001475435779 1069467083 /nfs/dbraw/zinc/46/70/83/1069467083.db2.gz RGWFVCRLYYMGIJ-INIZCTEOSA-N 1 2 458.968 1.280 20 0 JDADLO CCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501322617 1069485236 /nfs/dbraw/zinc/48/52/36/1069485236.db2.gz ZMUFGAWNEXTGOG-NRFANRHFSA-N 1 2 475.638 1.350 20 0 JDADLO CCCS(=O)(=O)NC1CCN(c2nnc(C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1 ZINC001501332489 1069486958 /nfs/dbraw/zinc/48/69/58/1069486958.db2.gz GYRLBNAGFLQUMJ-QGZVFWFLSA-N 1 2 477.635 1.553 20 0 JDADLO CCCS(=O)(=O)NC1CCN(c2nnc(C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC001501332488 1069487021 /nfs/dbraw/zinc/48/70/21/1069487021.db2.gz GYRLBNAGFLQUMJ-KRWDZBQOSA-N 1 2 477.635 1.553 20 0 JDADLO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001501340526 1069492397 /nfs/dbraw/zinc/49/23/97/1069492397.db2.gz NQVNEQXFAPHTIG-SFHVURJKSA-N 1 2 470.684 1.886 20 0 JDADLO CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC001475562728 1069494247 /nfs/dbraw/zinc/49/42/47/1069494247.db2.gz OVSKDUFFUCWUDT-UHFFFAOYSA-N 1 2 459.634 1.496 20 0 JDADLO CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001501403781 1069510765 /nfs/dbraw/zinc/51/07/65/1069510765.db2.gz AHXSKBIZWOIGIF-UHFFFAOYSA-N 1 2 474.009 1.821 20 0 JDADLO CCN(C)C(=O)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001501407135 1069513388 /nfs/dbraw/zinc/51/33/88/1069513388.db2.gz PRCQWLSQISPORH-QFIPXVFZSA-N 1 2 483.661 1.963 20 0 JDADLO COC(=O)c1cc(S(=O)(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC001475658311 1069517149 /nfs/dbraw/zinc/51/71/49/1069517149.db2.gz PJDFWTLGAMHIKA-UHFFFAOYSA-N 1 2 459.569 1.198 20 0 JDADLO COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC001475669818 1069520969 /nfs/dbraw/zinc/52/09/69/1069520969.db2.gz AKIJXBIRBXUKBJ-UWUBPMADSA-N 1 2 456.586 1.748 20 0 JDADLO COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC001475669818 1069520986 /nfs/dbraw/zinc/52/09/86/1069520986.db2.gz AKIJXBIRBXUKBJ-UWUBPMADSA-N 1 2 456.586 1.748 20 0 JDADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC001475707708 1069531434 /nfs/dbraw/zinc/53/14/34/1069531434.db2.gz WXFHYELZRWYKDM-GWCFXTLKSA-N 1 2 452.346 1.287 20 0 JDADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC001475707708 1069531444 /nfs/dbraw/zinc/53/14/44/1069531444.db2.gz WXFHYELZRWYKDM-GWCFXTLKSA-N 1 2 452.346 1.287 20 0 JDADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC001475707715 1069531501 /nfs/dbraw/zinc/53/15/01/1069531501.db2.gz WXFHYELZRWYKDM-MFKMUULPSA-N 1 2 452.346 1.287 20 0 JDADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC001475707715 1069531518 /nfs/dbraw/zinc/53/15/18/1069531518.db2.gz WXFHYELZRWYKDM-MFKMUULPSA-N 1 2 452.346 1.287 20 0 JDADLO 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C[N@@H+]1CCN(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001476188756 1069636362 /nfs/dbraw/zinc/63/63/62/1069636362.db2.gz VAVGEQYGEVFHAZ-QGZVFWFLSA-N 1 2 455.581 1.408 20 0 JDADLO C[N@H+]1CCN(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001476188756 1069636373 /nfs/dbraw/zinc/63/63/73/1069636373.db2.gz VAVGEQYGEVFHAZ-QGZVFWFLSA-N 1 2 455.581 1.408 20 0 JDADLO CCN(CC)C(=O)CN1CCCN(c2nnc(C3CC3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001501774631 1069638660 /nfs/dbraw/zinc/63/86/60/1069638660.db2.gz KEZOQZJFACOSTL-HXUWFJFHSA-N 1 2 461.655 1.504 20 0 JDADLO C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001476204393 1069642114 /nfs/dbraw/zinc/64/21/14/1069642114.db2.gz FWJCLJJAIVDSCH-INIZCTEOSA-N 1 2 450.565 1.348 20 0 JDADLO C[NH+](C)CCN1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1=O ZINC001476228216 1069652042 /nfs/dbraw/zinc/65/20/42/1069652042.db2.gz ARBJBBSJCPROTO-UHFFFAOYSA-N 1 2 452.562 1.182 20 0 JDADLO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3cccnc3)n2CCn2cc[nH+]c2C)CC1 ZINC001501779056 1069660095 /nfs/dbraw/zinc/66/00/95/1069660095.db2.gz RUBCNBNKAIFWSR-UHFFFAOYSA-N 1 2 479.633 1.850 20 0 JDADLO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001501781060 1069666657 /nfs/dbraw/zinc/66/66/57/1069666657.db2.gz VGPFMTGWFREQEK-LJQANCHMSA-N 1 2 473.622 1.558 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501780200 1069663084 /nfs/dbraw/zinc/66/30/84/1069663084.db2.gz GKVUUGWPXJHTEE-LJQANCHMSA-N 1 2 469.590 1.223 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCOC2)CC1 ZINC001501780756 1069666320 /nfs/dbraw/zinc/66/63/20/1069666320.db2.gz PMTUMBOXRKRTBE-HSZRJFAPSA-N 1 2 477.009 1.740 20 0 JDADLO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001501781055 1069666763 /nfs/dbraw/zinc/66/67/63/1069666763.db2.gz VBSKYOVLGILXCZ-XMMPIXPASA-N 1 2 483.661 1.959 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCC2)CC1 ZINC001501780435 1069665217 /nfs/dbraw/zinc/66/52/17/1069665217.db2.gz LTWQGRRFWFDEMW-UHFFFAOYSA-N 1 2 486.617 1.868 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(C)c2)CC1 ZINC001501780407 1069665265 /nfs/dbraw/zinc/66/52/65/1069665265.db2.gz LEZRQUMVOGAGSA-UHFFFAOYSA-N 1 2 471.997 1.766 20 0 JDADLO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001501781054 1069665962 /nfs/dbraw/zinc/66/59/62/1069665962.db2.gz VBSKYOVLGILXCZ-DEOSSOPVSA-N 1 2 483.661 1.959 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2Cc2ncn(C)n2)CC1 ZINC001501780933 1069666082 /nfs/dbraw/zinc/66/60/82/1069666082.db2.gz RXTBCCNLZYMYBW-UHFFFAOYSA-N 1 2 451.579 1.421 20 0 JDADLO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001501781059 1069666201 /nfs/dbraw/zinc/66/62/01/1069666201.db2.gz VGPFMTGWFREQEK-IBGZPJMESA-N 1 2 473.622 1.558 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)C)CC1 ZINC001501781056 1069666936 /nfs/dbraw/zinc/66/69/36/1069666936.db2.gz VCMRLZXWTOFTIF-UHFFFAOYSA-N 1 2 466.594 1.567 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)C(=O)NC)CC1 ZINC001501781151 1069668270 /nfs/dbraw/zinc/66/82/70/1069668270.db2.gz YHCWTZROBFZFEN-UHFFFAOYSA-N 1 2 485.633 1.716 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001501782869 1069669479 /nfs/dbraw/zinc/66/94/79/1069669479.db2.gz DAEGUEWOGQBWJJ-UNMCSNQZSA-N 1 2 485.633 1.690 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2conc2COC)CC1 ZINC001501783362 1069671695 /nfs/dbraw/zinc/67/16/95/1069671695.db2.gz KSTMOMGNVRDZJL-UHFFFAOYSA-N 1 2 482.589 1.822 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)C(=O)NC)CC1 ZINC001501783706 1069674463 /nfs/dbraw/zinc/67/44/63/1069674463.db2.gz OYTIYNFUXAUNJX-UHFFFAOYSA-N 1 2 485.633 1.716 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001501783856 1069676515 /nfs/dbraw/zinc/67/65/15/1069676515.db2.gz RASPUHRAHHZYHO-UHFFFAOYSA-N 1 2 499.664 1.318 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(COC)c2)CC1 ZINC001501784057 1069679372 /nfs/dbraw/zinc/67/93/72/1069679372.db2.gz VAAURXOQQWHZDN-UHFFFAOYSA-N 1 2 480.617 1.864 20 0 JDADLO CNC(=O)Cn1cc(NC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC001476348187 1069686953 /nfs/dbraw/zinc/68/69/53/1069686953.db2.gz RQDPLEFRGWSASD-UHFFFAOYSA-N 1 2 450.297 1.915 20 0 JDADLO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001476366713 1069697798 /nfs/dbraw/zinc/69/77/98/1069697798.db2.gz SGWGYONROXKZSX-UHFFFAOYSA-N 1 2 452.577 1.098 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501791284 1069708097 /nfs/dbraw/zinc/70/80/97/1069708097.db2.gz FVDTYZQXGHREFE-UHFFFAOYSA-N 1 2 476.670 1.615 20 0 JDADLO COC(=O)c1cc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1Br ZINC001476424818 1069711827 /nfs/dbraw/zinc/71/18/27/1069711827.db2.gz XQKACXADWPJDLN-LJQANCHMSA-N 1 2 456.337 1.973 20 0 JDADLO COC(=O)c1cc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1Br ZINC001476424818 1069711851 /nfs/dbraw/zinc/71/18/51/1069711851.db2.gz XQKACXADWPJDLN-LJQANCHMSA-N 1 2 456.337 1.973 20 0 JDADLO COc1ccc(Cn2nccc2NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c(OC)c1 ZINC001476466773 1069717565 /nfs/dbraw/zinc/71/75/65/1069717565.db2.gz GLYCIUNDPSIYRU-HSZRJFAPSA-N 1 2 459.547 1.686 20 0 JDADLO COc1ccc(Cn2nccc2NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c(OC)c1 ZINC001476466773 1069717595 /nfs/dbraw/zinc/71/75/95/1069717595.db2.gz GLYCIUNDPSIYRU-HSZRJFAPSA-N 1 2 459.547 1.686 20 0 JDADLO COc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC001476512628 1069732813 /nfs/dbraw/zinc/73/28/13/1069732813.db2.gz IPVNLILZKSVDPX-WMZOPIPTSA-N 1 2 452.577 1.807 20 0 JDADLO 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CCN(CC)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c[nH+]1 ZINC001501840693 1069744626 /nfs/dbraw/zinc/74/46/26/1069744626.db2.gz NARPGNUSKWNFPI-AZUAARDMSA-N 1 2 491.662 1.932 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(OCC(N)=O)CC2)c[nH+]1 ZINC001501840790 1069744784 /nfs/dbraw/zinc/74/47/84/1069744784.db2.gz POLOQRKXZRJMEG-GOSISDBHSA-N 1 2 457.579 1.542 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)c[nH+]1 ZINC001501840418 1069745127 /nfs/dbraw/zinc/74/51/27/1069745127.db2.gz GEXBIDPVXRMQBX-HXUWFJFHSA-N 1 2 491.662 1.837 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001501847719 1069747092 /nfs/dbraw/zinc/74/70/92/1069747092.db2.gz VFTPWGMWVYCGRY-ZJOUEHCJSA-N 1 2 471.606 1.993 20 0 JDADLO C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001476606964 1069754070 /nfs/dbraw/zinc/75/40/70/1069754070.db2.gz FEHOBXDTFBYGNU-PBHICJAKSA-N 1 2 454.417 1.352 20 0 JDADLO 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MBUSANBJPLAMSX-UHFFFAOYSA-N 1 2 457.600 1.570 20 0 JDADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC001479290649 1070120517 /nfs/dbraw/zinc/12/05/17/1070120517.db2.gz DAXZGUOZLUJWHK-INIZCTEOSA-N 1 2 455.581 1.723 20 0 JDADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC001479290652 1070120977 /nfs/dbraw/zinc/12/09/77/1070120977.db2.gz DAXZGUOZLUJWHK-MRXNPFEDSA-N 1 2 455.581 1.723 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001502319623 1070133834 /nfs/dbraw/zinc/13/38/34/1070133834.db2.gz SAWRZMPZMWMHDY-LQWHRVPQSA-N 1 2 455.625 1.284 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001502319623 1070133852 /nfs/dbraw/zinc/13/38/52/1070133852.db2.gz SAWRZMPZMWMHDY-LQWHRVPQSA-N 1 2 455.625 1.284 20 0 JDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC001479371834 1070136173 /nfs/dbraw/zinc/13/61/73/1070136173.db2.gz DLVDPIJAQAERRL-PMACEKPBSA-N 1 2 450.605 1.664 20 0 JDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC001479371836 1070136316 /nfs/dbraw/zinc/13/63/16/1070136316.db2.gz DLVDPIJAQAERRL-VQTJNVASSA-N 1 2 450.605 1.664 20 0 JDADLO COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001479392690 1070142811 /nfs/dbraw/zinc/14/28/11/1070142811.db2.gz UUEZAPYYCQTYFP-UHFFFAOYSA-N 1 2 456.584 1.493 20 0 JDADLO COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001479392690 1070142835 /nfs/dbraw/zinc/14/28/35/1070142835.db2.gz UUEZAPYYCQTYFP-UHFFFAOYSA-N 1 2 456.584 1.493 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)C[C@H]1C ZINC001502326992 1070150097 /nfs/dbraw/zinc/15/00/97/1070150097.db2.gz GRHXBJNLMJZPOU-SJORKVTESA-N 1 2 478.594 1.280 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)C[C@H]1C ZINC001502326992 1070150098 /nfs/dbraw/zinc/15/00/98/1070150098.db2.gz GRHXBJNLMJZPOU-SJORKVTESA-N 1 2 478.594 1.280 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC001502327890 1070155328 /nfs/dbraw/zinc/15/53/28/1070155328.db2.gz WAYIWNAVEFFUPG-RTBURBONSA-N 1 2 474.631 1.966 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC001502327890 1070155342 /nfs/dbraw/zinc/15/53/42/1070155342.db2.gz WAYIWNAVEFFUPG-RTBURBONSA-N 1 2 474.631 1.966 20 0 JDADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cc(OC)ccc3OC)C2)CC1 ZINC001502332554 1070171515 /nfs/dbraw/zinc/17/15/15/1070171515.db2.gz NDFROWQAHIIKGH-HXUWFJFHSA-N 1 2 485.633 1.698 20 0 JDADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cc(C(C)(C)C)no3)C2)CC1 ZINC001502332301 1070171704 /nfs/dbraw/zinc/17/17/04/1070171704.db2.gz HPTYXSJFWJUREJ-SFHVURJKSA-N 1 2 472.638 1.966 20 0 JDADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3C[C@H](F)COC)C2)CC1 ZINC001502332006 1070168372 /nfs/dbraw/zinc/16/83/72/1070168372.db2.gz BEDBORHCGZJQAA-ZWKOTPCHSA-N 1 2 460.558 1.126 20 0 JDADLO C[C@H](NC(=O)N1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479594247 1070170179 /nfs/dbraw/zinc/17/01/79/1070170179.db2.gz FEZVHAROXHFNPI-OTWHNJEPSA-N 1 2 453.628 1.726 20 0 JDADLO C[C@H](NC(=O)N1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001479594247 1070170196 /nfs/dbraw/zinc/17/01/96/1070170196.db2.gz FEZVHAROXHFNPI-OTWHNJEPSA-N 1 2 453.628 1.726 20 0 JDADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(COC)CCOCC3)C2)CC1 ZINC001502333031 1070174571 /nfs/dbraw/zinc/17/45/71/1070174571.db2.gz YPWIIPCYSQUJEY-HXUWFJFHSA-N 1 2 477.654 1.076 20 0 JDADLO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCN(C(C)=O)CC3)CC2)C1=O ZINC001502335526 1070195641 /nfs/dbraw/zinc/19/56/41/1070195641.db2.gz KYRALXFOTHHWPP-UHFFFAOYSA-N 1 2 488.681 1.757 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCSC3)CC2)on1 ZINC001493153094 1070217285 /nfs/dbraw/zinc/21/72/85/1070217285.db2.gz IUSAPCJPCWWPNU-JKSUJKDBSA-N 1 2 469.637 1.260 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H]3CCSC3)CC2)on1 ZINC001493153091 1070218158 /nfs/dbraw/zinc/21/81/58/1070218158.db2.gz IUSAPCJPCWWPNU-CVEARBPZSA-N 1 2 469.637 1.260 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCCCO3)CC2)on1 ZINC001493154022 1070218965 /nfs/dbraw/zinc/21/89/65/1070218965.db2.gz XCOGZDQFACOWJA-DLBZAZTESA-N 1 2 467.596 1.076 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCN(C)CC(F)(F)F)CC2)on1 ZINC001493155979 1070219947 /nfs/dbraw/zinc/21/99/47/1070219947.db2.gz DTIVWOOWJONMBQ-MRXNPFEDSA-N 1 2 457.501 1.895 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccccc4F)n3CCNS(C)(=O)=O)CC2)on1 ZINC001493157208 1070220410 /nfs/dbraw/zinc/22/04/10/1070220410.db2.gz QAZKRUKHDXYTQN-UHFFFAOYSA-N 1 2 463.539 1.252 20 0 JDADLO C[C@@H]1C[C@@H](C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001493243882 1070265138 /nfs/dbraw/zinc/26/51/38/1070265138.db2.gz IURRUGSBNLTKRB-GUDVDZBRSA-N 1 2 484.667 1.204 20 0 JDADLO CCn1nc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2c[nH+]ccc2OC)c2ccccc2c1=O ZINC001502360880 1070304039 /nfs/dbraw/zinc/30/40/39/1070304039.db2.gz SXRXRPQZZRNRPS-OAHLLOKOSA-N 1 2 476.541 1.827 20 0 JDADLO CCn1nc(-c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[N@@H+]2CCOC[C@@H]2C)c2ccccc2c1=O ZINC001502361776 1070305133 /nfs/dbraw/zinc/30/51/33/1070305133.db2.gz PAFSYQSMIWECBM-MSOLQXFVSA-N 1 2 496.616 1.214 20 0 JDADLO CCn1nc(-c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[N@H+]2CCOC[C@@H]2C)c2ccccc2c1=O ZINC001502361776 1070305157 /nfs/dbraw/zinc/30/51/57/1070305157.db2.gz PAFSYQSMIWECBM-MSOLQXFVSA-N 1 2 496.616 1.214 20 0 JDADLO CCn1nc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC(O)(CC)CC)c2ccccc2c1=O ZINC001502362638 1070307987 /nfs/dbraw/zinc/30/79/87/1070307987.db2.gz IZTGVPVKNZIPDY-UHFFFAOYSA-N 1 2 483.617 1.994 20 0 JDADLO CCn1nc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC(C)(C)O)c2ccccc2c1=O ZINC001502362674 1070308666 /nfs/dbraw/zinc/30/86/66/1070308666.db2.gz KRRHHEMZWIKRDR-UHFFFAOYSA-N 1 2 455.563 1.214 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001502372132 1070318726 /nfs/dbraw/zinc/31/87/26/1070318726.db2.gz CEJFJWRXDTVALP-SFHVURJKSA-N 1 2 497.644 1.905 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001502379661 1070324335 /nfs/dbraw/zinc/32/43/35/1070324335.db2.gz NSZUCTCNEGSMTG-LJQANCHMSA-N 1 2 499.664 1.364 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001493724577 1070341845 /nfs/dbraw/zinc/34/18/45/1070341845.db2.gz QHXOQAGLQDESJN-ROUUACIJSA-N 1 2 477.635 1.795 20 0 JDADLO CCNC(=O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC001502414511 1070353108 /nfs/dbraw/zinc/35/31/08/1070353108.db2.gz NLYNUHZEVBAGGA-PXNSSMCTSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC001502414511 1070353122 /nfs/dbraw/zinc/35/31/22/1070353122.db2.gz NLYNUHZEVBAGGA-PXNSSMCTSA-N 1 2 474.631 1.509 20 0 JDADLO CC1CCN(c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)CCS(C)(=O)=O)c[nH+]2)CC1 ZINC001493872615 1070367589 /nfs/dbraw/zinc/36/75/89/1070367589.db2.gz FZBXYZXGOMIVPO-UHFFFAOYSA-N 1 2 489.646 1.561 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493874105 1070367861 /nfs/dbraw/zinc/36/78/61/1070367861.db2.gz RTWSJHGUAWXERT-SFHVURJKSA-N 1 2 468.606 1.763 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493873656 1070368098 /nfs/dbraw/zinc/36/80/98/1070368098.db2.gz OLIGPYWTLLXEJJ-IRXDYDNUSA-N 1 2 492.650 1.268 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2Cc2c[nH+]ccc2OC)CC1 ZINC001502427032 1070376260 /nfs/dbraw/zinc/37/62/60/1070376260.db2.gz WKZGSPMKNZSRCG-UHFFFAOYSA-N 1 2 465.558 1.664 20 0 JDADLO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C[C@H](C)O1 ZINC001494097796 1070393212 /nfs/dbraw/zinc/39/32/12/1070393212.db2.gz WTEMRZVUMFICGB-CALCHBBNSA-N 1 2 477.635 1.636 20 0 JDADLO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C[C@H](C)O1 ZINC001494097796 1070393231 /nfs/dbraw/zinc/39/32/31/1070393231.db2.gz WTEMRZVUMFICGB-CALCHBBNSA-N 1 2 477.635 1.636 20 0 JDADLO C[C@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1CCCNc1cccc[nH+]1 ZINC001494126725 1070412879 /nfs/dbraw/zinc/41/28/79/1070412879.db2.gz DABPMDZZKLYSCJ-INIZCTEOSA-N 1 2 468.587 1.834 20 0 JDADLO CC(C)c1nnc(N(C)CCCS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494127261 1070413007 /nfs/dbraw/zinc/41/30/07/1070413007.db2.gz GNTDIGQRDUHZJC-KRWDZBQOSA-N 1 2 450.609 1.941 20 0 JDADLO C[C@@H]1CN(c2ccc(Cn3c(-c4cnccn4)nnc3N(C)CC(=O)NC(C)(C)C)c[nH+]2)CCO1 ZINC001494129691 1070418195 /nfs/dbraw/zinc/41/81/95/1070418195.db2.gz PGTOYWRPWPGBCP-QGZVFWFLSA-N 1 2 479.589 1.754 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494130651 1070419048 /nfs/dbraw/zinc/41/90/48/1070419048.db2.gz VCRIZDUDVCBAGN-BBWFWOEESA-N 1 2 463.608 1.545 20 0 JDADLO CCNC(=O)N1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001502442018 1070422407 /nfs/dbraw/zinc/42/24/07/1070422407.db2.gz QRLQKAVOSYDONQ-JOCHJYFZSA-N 1 2 459.551 1.234 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494135323 1070424933 /nfs/dbraw/zinc/42/49/33/1070424933.db2.gz DNDGVYOWNGFCEJ-MSOLQXFVSA-N 1 2 464.574 1.632 20 0 JDADLO C[C@@H]1CN(c2ccc(Cn3c(N(C)CC(=O)N4CCOCC4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001494136214 1070426240 /nfs/dbraw/zinc/42/62/40/1070426240.db2.gz KHRXUGHSTFZJTJ-GOSISDBHSA-N 1 2 471.606 1.539 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494136202 1070426570 /nfs/dbraw/zinc/42/65/70/1070426570.db2.gz KDQSAYKREQBJAL-ZWKOTPCHSA-N 1 2 464.574 1.632 20 0 JDADLO CCNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001502454292 1070455537 /nfs/dbraw/zinc/45/55/37/1070455537.db2.gz DNPFPYLRMHBFJG-IRXDYDNUSA-N 1 2 495.675 1.396 20 0 JDADLO CCNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001502454290 1070456332 /nfs/dbraw/zinc/45/63/32/1070456332.db2.gz DNPFPYLRMHBFJG-DLBZAZTESA-N 1 2 495.675 1.396 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001494187717 1070457008 /nfs/dbraw/zinc/45/70/08/1070457008.db2.gz BPZWXVZPNFVRHP-HBFSDRIKSA-N 1 2 494.687 1.904 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001494189997 1070461233 /nfs/dbraw/zinc/46/12/33/1070461233.db2.gz GMEHUJUVYPOLFP-CVEARBPZSA-N 1 2 477.566 1.877 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001494189998 1070462319 /nfs/dbraw/zinc/46/23/19/1070462319.db2.gz GMEHUJUVYPOLFP-HOTGVXAUSA-N 1 2 477.566 1.877 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001494203730 1070493428 /nfs/dbraw/zinc/49/34/28/1070493428.db2.gz YZNFJRKPXPPXEL-VXIBKDFQSA-N 1 2 498.675 1.637 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001494203730 1070493449 /nfs/dbraw/zinc/49/34/49/1070493449.db2.gz YZNFJRKPXPPXEL-VXIBKDFQSA-N 1 2 498.675 1.637 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001494203731 1070494210 /nfs/dbraw/zinc/49/42/10/1070494210.db2.gz YZNFJRKPXPPXEL-VXNCWWDNSA-N 1 2 498.675 1.637 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001494203731 1070494259 /nfs/dbraw/zinc/49/42/59/1070494259.db2.gz YZNFJRKPXPPXEL-VXNCWWDNSA-N 1 2 498.675 1.637 20 0 JDADLO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001494335458 1070545715 /nfs/dbraw/zinc/54/57/15/1070545715.db2.gz VERKGXUPFWYUNN-NCXUSEDFSA-N 1 2 464.611 1.852 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNc2cccc[nH+]2)CC1 ZINC001502492017 1070605199 /nfs/dbraw/zinc/60/51/99/1070605199.db2.gz LMXURUBFDCCROT-INIZCTEOSA-N 1 2 480.595 1.064 20 0 JDADLO CCOC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001502507029 1070626681 /nfs/dbraw/zinc/62/66/81/1070626681.db2.gz BCZCKVDUYGIJFF-UHFFFAOYSA-N 1 2 499.616 1.608 20 0 JDADLO CCOC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCCNc2cccc[nH+]2)CC1 ZINC001502505734 1070624731 /nfs/dbraw/zinc/62/47/31/1070624731.db2.gz LGQYBIVEMAMPAB-UHFFFAOYSA-N 1 2 456.551 1.576 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c[nH+]ccc2OC)CC1 ZINC001502509406 1070629371 /nfs/dbraw/zinc/62/93/71/1070629371.db2.gz OJLZUGUAMGRHTQ-LPHOPBHVSA-N 1 2 460.535 1.733 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001502525691 1070644572 /nfs/dbraw/zinc/64/45/72/1070644572.db2.gz XWUOKKWSKXUDRP-PWHSHALESA-N 1 2 480.610 1.366 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001502525693 1070644603 /nfs/dbraw/zinc/64/46/03/1070644603.db2.gz XWUOKKWSKXUDRP-YYDVJCTNSA-N 1 2 480.610 1.366 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCN(C)c1ccccc1 ZINC001494601021 1070649850 /nfs/dbraw/zinc/64/98/50/1070649850.db2.gz BXBSWSRXHGGGAB-FQEVSTJZSA-N 1 2 455.607 1.694 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCN(C)c1ccccc1 ZINC001494601021 1070649857 /nfs/dbraw/zinc/64/98/57/1070649857.db2.gz BXBSWSRXHGGGAB-FQEVSTJZSA-N 1 2 455.607 1.694 20 0 JDADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001494601903 1070650889 /nfs/dbraw/zinc/65/08/89/1070650889.db2.gz KCTDQXFKBJZCEF-MKXGPGLRSA-N 1 2 491.637 1.436 20 0 JDADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001494601903 1070650896 /nfs/dbraw/zinc/65/08/96/1070650896.db2.gz KCTDQXFKBJZCEF-MKXGPGLRSA-N 1 2 491.637 1.436 20 0 JDADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001494601901 1070650984 /nfs/dbraw/zinc/65/09/84/1070650984.db2.gz KCTDQXFKBJZCEF-CADBVGFASA-N 1 2 491.637 1.436 20 0 JDADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001494601901 1070650993 /nfs/dbraw/zinc/65/09/93/1070650993.db2.gz KCTDQXFKBJZCEF-CADBVGFASA-N 1 2 491.637 1.436 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001494603346 1070655866 /nfs/dbraw/zinc/65/58/66/1070655866.db2.gz JDHZKCONOCKDGG-ZWKOTPCHSA-N 1 2 464.611 1.996 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001494603346 1070655884 /nfs/dbraw/zinc/65/58/84/1070655884.db2.gz JDHZKCONOCKDGG-ZWKOTPCHSA-N 1 2 464.611 1.996 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494601969 1070651919 /nfs/dbraw/zinc/65/19/19/1070651919.db2.gz CNTNHMSTJJVYQX-NVXWUHKLSA-N 1 2 474.528 1.398 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494601969 1070651934 /nfs/dbraw/zinc/65/19/34/1070651934.db2.gz CNTNHMSTJJVYQX-NVXWUHKLSA-N 1 2 474.528 1.398 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494601990 1070652004 /nfs/dbraw/zinc/65/20/04/1070652004.db2.gz CSTPTVGCBYHXHY-SFHVURJKSA-N 1 2 480.610 1.200 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494601990 1070652015 /nfs/dbraw/zinc/65/20/15/1070652015.db2.gz CSTPTVGCBYHXHY-SFHVURJKSA-N 1 2 480.610 1.200 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001494602272 1070652823 /nfs/dbraw/zinc/65/28/23/1070652823.db2.gz DRMPQMHBRZMVSH-RTBURBONSA-N 1 2 470.684 1.695 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001494602272 1070652840 /nfs/dbraw/zinc/65/28/40/1070652840.db2.gz DRMPQMHBRZMVSH-RTBURBONSA-N 1 2 470.684 1.695 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001494602898 1070654348 /nfs/dbraw/zinc/65/43/48/1070654348.db2.gz PQMFASPPPCFUAD-HOTGVXAUSA-N 1 2 493.406 1.652 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001494602898 1070654357 /nfs/dbraw/zinc/65/43/57/1070654357.db2.gz PQMFASPPPCFUAD-HOTGVXAUSA-N 1 2 493.406 1.652 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001494603334 1070654388 /nfs/dbraw/zinc/65/43/88/1070654388.db2.gz JDHZKCONOCKDGG-MSOLQXFVSA-N 1 2 464.611 1.996 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001494603334 1070654407 /nfs/dbraw/zinc/65/44/07/1070654407.db2.gz JDHZKCONOCKDGG-MSOLQXFVSA-N 1 2 464.611 1.996 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001494602893 1070654705 /nfs/dbraw/zinc/65/47/05/1070654705.db2.gz PQMFASPPPCFUAD-CVEARBPZSA-N 1 2 493.406 1.652 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001494602893 1070654728 /nfs/dbraw/zinc/65/47/28/1070654728.db2.gz PQMFASPPPCFUAD-CVEARBPZSA-N 1 2 493.406 1.652 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001494603341 1070655659 /nfs/dbraw/zinc/65/56/59/1070655659.db2.gz JDHZKCONOCKDGG-ROUUACIJSA-N 1 2 464.611 1.996 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001494603341 1070655668 /nfs/dbraw/zinc/65/56/68/1070655668.db2.gz JDHZKCONOCKDGG-ROUUACIJSA-N 1 2 464.611 1.996 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001494605278 1070659497 /nfs/dbraw/zinc/65/94/97/1070659497.db2.gz UWIQJYDTDOQOSR-ZACQAIPSSA-N 1 2 474.528 1.745 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001494605278 1070659507 /nfs/dbraw/zinc/65/95/07/1070659507.db2.gz UWIQJYDTDOQOSR-ZACQAIPSSA-N 1 2 474.528 1.745 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494605257 1070659949 /nfs/dbraw/zinc/65/99/49/1070659949.db2.gz UOCLRDXLRAQDCE-KRWDZBQOSA-N 1 2 478.544 1.163 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494605257 1070659970 /nfs/dbraw/zinc/65/99/70/1070659970.db2.gz UOCLRDXLRAQDCE-KRWDZBQOSA-N 1 2 478.544 1.163 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001494605335 1070660206 /nfs/dbraw/zinc/66/02/06/1070660206.db2.gz VTJYMCAZTXNJBT-RBUKOAKNSA-N 1 2 463.627 1.523 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001494605335 1070660212 /nfs/dbraw/zinc/66/02/12/1070660212.db2.gz VTJYMCAZTXNJBT-RBUKOAKNSA-N 1 2 463.627 1.523 20 0 JDADLO CCO[C@]1(c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2Cc2c[nH+]ccc2OC)CCOC1 ZINC001502622277 1070701053 /nfs/dbraw/zinc/70/10/53/1070701053.db2.gz NYOJJPBPBLUSFD-JOCHJYFZSA-N 1 2 494.618 1.242 20 0 JDADLO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001494691807 1070702076 /nfs/dbraw/zinc/70/20/76/1070702076.db2.gz REBHKEKVJFMBGB-LJQANCHMSA-N 1 2 484.605 1.191 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502648607 1070721213 /nfs/dbraw/zinc/72/12/13/1070721213.db2.gz CGACXWRVICNSRW-RDPSFJRHSA-N 1 2 478.638 1.346 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502648607 1070721217 /nfs/dbraw/zinc/72/12/17/1070721217.db2.gz CGACXWRVICNSRW-RDPSFJRHSA-N 1 2 478.638 1.346 20 0 JDADLO CCO[C@]1(c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502648603 1070721449 /nfs/dbraw/zinc/72/14/49/1070721449.db2.gz CGACXWRVICNSRW-GBXCKJPGSA-N 1 2 478.638 1.346 20 0 JDADLO CCO[C@]1(c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502648603 1070721464 /nfs/dbraw/zinc/72/14/64/1070721464.db2.gz CGACXWRVICNSRW-GBXCKJPGSA-N 1 2 478.638 1.346 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(CC)CCOCC2)CCOC1 ZINC001502654873 1070726858 /nfs/dbraw/zinc/72/68/58/1070726858.db2.gz IUHLWBIJWAQTDG-HSZRJFAPSA-N 1 2 451.612 1.905 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@](C)(O)c2cc(C)oc2C)CCOC1 ZINC001502655170 1070728500 /nfs/dbraw/zinc/72/85/00/1070728500.db2.gz OFHBHIVTSSYSBR-DNQXCXABSA-N 1 2 477.606 1.816 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2cccc(C(=O)NC)c2)CCOC1 ZINC001502655427 1070729662 /nfs/dbraw/zinc/72/96/62/1070729662.db2.gz UTUBHPWSNRKFDF-DEOSSOPVSA-N 1 2 472.590 1.107 20 0 JDADLO CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001494795545 1070747384 /nfs/dbraw/zinc/74/73/84/1070747384.db2.gz LFZGWSQTNYHYTN-NZQKXSOJSA-N 1 2 460.627 1.071 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(CC(=O)NC)CC3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502678890 1070765797 /nfs/dbraw/zinc/76/57/97/1070765797.db2.gz UQBJPNXMJRYZRW-FDDCHVKYSA-N 1 2 464.611 1.003 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001494895313 1070767546 /nfs/dbraw/zinc/76/75/46/1070767546.db2.gz CNEYFTIXVCMIAO-YGKZAACZSA-N 1 2 456.595 1.321 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001494895311 1070767690 /nfs/dbraw/zinc/76/76/90/1070767690.db2.gz CNEYFTIXVCMIAO-MFEFFIJZSA-N 1 2 456.595 1.321 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001494915464 1070772695 /nfs/dbraw/zinc/77/26/95/1070772695.db2.gz FTIKBTVHJARXEA-NJNPRVFISA-N 1 2 462.620 1.699 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001494936152 1070778637 /nfs/dbraw/zinc/77/86/37/1070778637.db2.gz VQDMFHIGFKNRGS-RLSLOFABSA-N 1 2 489.665 1.331 20 0 JDADLO CC[C@H](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)OC ZINC001495004073 1070788231 /nfs/dbraw/zinc/78/82/31/1070788231.db2.gz FRWAUGJOVYFETN-KJJMTIBFSA-N 1 2 491.681 1.522 20 0 JDADLO CC[C@H](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001495015501 1070791991 /nfs/dbraw/zinc/79/19/91/1070791991.db2.gz QPLOVJHBKPQFBN-WOZUAGRISA-N 1 2 462.639 1.976 20 0 JDADLO CC[C@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001494997502 1070787221 /nfs/dbraw/zinc/78/72/21/1070787221.db2.gz VHJYUOWEOBVCIW-ZVDOUQERSA-N 1 2 472.638 1.873 20 0 JDADLO CC[C@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001494997500 1070787389 /nfs/dbraw/zinc/78/73/89/1070787389.db2.gz VHJYUOWEOBVCIW-QKNQBKEWSA-N 1 2 472.638 1.873 20 0 JDADLO CC[C@H](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)OC ZINC001495004071 1070788075 /nfs/dbraw/zinc/78/80/75/1070788075.db2.gz FRWAUGJOVYFETN-CMOCDZPBSA-N 1 2 491.681 1.522 20 0 JDADLO CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001495277160 1070801236 /nfs/dbraw/zinc/80/12/36/1070801236.db2.gz SEQFYJFVYPSHGM-QIJZPMMNSA-N 1 2 480.679 1.605 20 0 JDADLO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001495277160 1070801240 /nfs/dbraw/zinc/80/12/40/1070801240.db2.gz SEQFYJFVYPSHGM-QIJZPMMNSA-N 1 2 480.679 1.605 20 0 JDADLO CC[C@@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495068288 1070797838 /nfs/dbraw/zinc/79/78/38/1070797838.db2.gz YVIUPSZGLOHUGI-CTNGQTDRSA-N 1 2 469.638 1.851 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001495491307 1070805519 /nfs/dbraw/zinc/80/55/19/1070805519.db2.gz MXKRHMHJIWEXPJ-GOSISDBHSA-N 1 2 491.662 1.980 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCCC[C@H](COC)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502702259 1070810700 /nfs/dbraw/zinc/81/07/00/1070810700.db2.gz VNAYOGIQCHVXIZ-URXFXBBRSA-N 1 2 478.638 1.347 20 0 JDADLO CCO[C@]1(c2nnc(N3CCCC[C@@H](COC)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502702261 1070810716 /nfs/dbraw/zinc/81/07/16/1070810716.db2.gz VNAYOGIQCHVXIZ-ZJSXRUAMSA-N 1 2 478.638 1.347 20 0 JDADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001495719508 1070817449 /nfs/dbraw/zinc/81/74/49/1070817449.db2.gz ONIKWNGVHIULEI-OALUTQOASA-N 1 2 483.683 1.252 20 0 JDADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCNC(=O)c1ccco1 ZINC001495717609 1070817503 /nfs/dbraw/zinc/81/75/03/1070817503.db2.gz KGEVMBWOHFYWAM-MOPGFXCFSA-N 1 2 471.606 1.948 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001495693658 1070815283 /nfs/dbraw/zinc/81/52/83/1070815283.db2.gz GXJCZCFCEUUGOU-HXUWFJFHSA-N 1 2 470.622 1.670 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(c3nccc(OC)n3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495766636 1070819344 /nfs/dbraw/zinc/81/93/44/1070819344.db2.gz SEWMFBZUUAPUOT-GOSISDBHSA-N 1 2 471.610 1.081 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(c3nccc(OC)n3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495766637 1070819573 /nfs/dbraw/zinc/81/95/73/1070819573.db2.gz SEWMFBZUUAPUOT-SFHVURJKSA-N 1 2 471.610 1.081 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001495803948 1070822448 /nfs/dbraw/zinc/82/24/48/1070822448.db2.gz MRWZLLUVKQXNCR-AZUAARDMSA-N 1 2 472.638 1.759 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001495849373 1070824120 /nfs/dbraw/zinc/82/41/20/1070824120.db2.gz GLICZOPPWNWVRK-SJORKVTESA-N 1 2 477.639 1.374 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001495849373 1070824121 /nfs/dbraw/zinc/82/41/21/1070824121.db2.gz GLICZOPPWNWVRK-SJORKVTESA-N 1 2 477.639 1.374 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC001502721642 1070829945 /nfs/dbraw/zinc/82/99/45/1070829945.db2.gz IENZJWREWHMUQE-RXVVDRJESA-N 1 2 455.625 1.143 20 0 JDADLO COc1cc(Cl)ccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1CCC(=O)N(C)C ZINC001504100298 1070833006 /nfs/dbraw/zinc/83/30/06/1070833006.db2.gz SKWRDZZGYQFAOR-UHFFFAOYSA-N 1 2 450.971 1.854 20 0 JDADLO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001504106887 1070835271 /nfs/dbraw/zinc/83/52/71/1070835271.db2.gz HKYLVXOXPDXAGU-NRFANRHFSA-N 1 2 484.022 1.687 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](CC)C3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 ZINC001502725834 1070835680 /nfs/dbraw/zinc/83/56/80/1070835680.db2.gz MZIBQCRGQNVFEA-MIZPHKNDSA-N 1 2 499.678 1.445 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](CC)C3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 ZINC001502725834 1070835683 /nfs/dbraw/zinc/83/56/83/1070835683.db2.gz MZIBQCRGQNVFEA-MIZPHKNDSA-N 1 2 499.678 1.445 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+](Cc4cc(F)ccc4OC)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001502726382 1070837282 /nfs/dbraw/zinc/83/72/82/1070837282.db2.gz UQJSZRSLNRZPEP-XMMPIXPASA-N 1 2 490.580 1.488 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502729438 1070840021 /nfs/dbraw/zinc/84/00/21/1070840021.db2.gz PMUJSPRHYYCWMH-SFYKDHMMSA-N 1 2 451.612 1.902 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502729438 1070840024 /nfs/dbraw/zinc/84/00/24/1070840024.db2.gz PMUJSPRHYYCWMH-SFYKDHMMSA-N 1 2 451.612 1.902 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502729439 1070840249 /nfs/dbraw/zinc/84/02/49/1070840249.db2.gz PMUJSPRHYYCWMH-YCRNBWNJSA-N 1 2 451.612 1.902 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502729439 1070840252 /nfs/dbraw/zinc/84/02/52/1070840252.db2.gz PMUJSPRHYYCWMH-YCRNBWNJSA-N 1 2 451.612 1.902 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001496249287 1070840321 /nfs/dbraw/zinc/84/03/21/1070840321.db2.gz KHHGDWIJWQTAQH-RTBURBONSA-N 1 2 485.637 1.116 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001496273854 1070843799 /nfs/dbraw/zinc/84/37/99/1070843799.db2.gz XGUKJBUTDVOBBJ-ROUUACIJSA-N 1 2 454.641 1.263 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001496271541 1070843829 /nfs/dbraw/zinc/84/38/29/1070843829.db2.gz RXDDDNWEIXIROW-IRXDYDNUSA-N 1 2 452.625 1.160 20 0 JDADLO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@H](C)[NH+]3CCOCC3)CC2)n1 ZINC001502774510 1070854187 /nfs/dbraw/zinc/85/41/87/1070854187.db2.gz LJCSNIUIXFYAGW-IBGZPJMESA-N 1 2 458.611 1.946 20 0 JDADLO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001496651467 1070855786 /nfs/dbraw/zinc/85/57/86/1070855786.db2.gz RSKCMMSBKFWKNV-QUCCMNQESA-N 1 2 477.635 1.495 20 0 JDADLO CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001496657884 1070855895 /nfs/dbraw/zinc/85/58/95/1070855895.db2.gz BJKFJLCKDQWZPJ-NCYKPQTJSA-N 1 2 499.678 1.167 20 0 JDADLO CCOc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2(O)CCO[C@@H]2C)cc1OC ZINC001502792374 1070857837 /nfs/dbraw/zinc/85/78/37/1070857837.db2.gz BAJCERVCFKZIOC-HOYKHHGWSA-N 1 2 475.590 1.661 20 0 JDADLO COc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001504156973 1070858810 /nfs/dbraw/zinc/85/88/10/1070858810.db2.gz NCKKPZPADBVNHX-KRWDZBQOSA-N 1 2 465.558 1.934 20 0 JDADLO COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001504156975 1070859014 /nfs/dbraw/zinc/85/90/14/1070859014.db2.gz NCKKPZPADBVNHX-QGZVFWFLSA-N 1 2 465.558 1.934 20 0 JDADLO COc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(C(N)=O)nc2)cc1OC ZINC001504168286 1070862679 /nfs/dbraw/zinc/86/26/79/1070862679.db2.gz WSKVRZOXSLJREP-UHFFFAOYSA-N 1 2 481.557 1.273 20 0 JDADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001502857385 1070868808 /nfs/dbraw/zinc/86/88/08/1070868808.db2.gz SEJCSODRAGNRNE-ICSRJNTNSA-N 1 2 499.616 1.293 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001504198995 1070877320 /nfs/dbraw/zinc/87/73/20/1070877320.db2.gz FOMYIIFUQOCJSR-SFHVURJKSA-N 1 2 483.617 1.611 20 0 JDADLO CCOc1ccccc1OCc1nnc(N2CCNC(=O)[C@@H]2CC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001502915827 1070881582 /nfs/dbraw/zinc/88/15/82/1070881582.db2.gz KEQIOTNDPXNPTD-FQEVSTJZSA-N 1 2 499.616 1.135 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001504202622 1070883299 /nfs/dbraw/zinc/88/32/99/1070883299.db2.gz YCJSGMIBORGMNI-IBGZPJMESA-N 1 2 483.617 1.565 20 0 JDADLO COc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001504213627 1070888312 /nfs/dbraw/zinc/88/83/12/1070888312.db2.gz VVNJUOVDDBMCEQ-LQWHRVPQSA-N 1 2 492.646 1.959 20 0 JDADLO COc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001504213628 1070888341 /nfs/dbraw/zinc/88/83/41/1070888341.db2.gz VVNJUOVDDBMCEQ-OPYAIIAOSA-N 1 2 492.646 1.959 20 0 JDADLO COc1ccc(CCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001504229805 1070894706 /nfs/dbraw/zinc/89/47/06/1070894706.db2.gz WPWMUZOTFTWLSY-UYAOXDASSA-N 1 2 456.591 1.494 20 0 JDADLO COc1ccc(CCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001504229805 1070894708 /nfs/dbraw/zinc/89/47/08/1070894708.db2.gz WPWMUZOTFTWLSY-UYAOXDASSA-N 1 2 456.591 1.494 20 0 JDADLO CCOC1CC(Cn2c([C@H](C)CC)nnc2N2CCN(C(=O)OC)CC2)([NH+]2CCOCC2)C1 ZINC001502939275 1070895453 /nfs/dbraw/zinc/89/54/53/1070895453.db2.gz XDKNAWXZOUFREA-MVBMGLOESA-N 1 2 464.611 1.950 20 0 JDADLO COc1ccc(CCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001504231571 1070897556 /nfs/dbraw/zinc/89/75/56/1070897556.db2.gz PVXDCOLHJSQZIS-OALUTQOASA-N 1 2 456.591 1.460 20 0 JDADLO COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOCC2)cc1F ZINC001504237649 1070902482 /nfs/dbraw/zinc/90/24/82/1070902482.db2.gz LHYZCTCPBZIAJO-UHFFFAOYSA-N 1 2 460.554 1.673 20 0 JDADLO CCOC1CC(O)(Cn2c(-c3ccccc3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC001502962453 1070908484 /nfs/dbraw/zinc/90/84/84/1070908484.db2.gz QEIYLJQDRYOIGK-UHFFFAOYSA-N 1 2 470.618 1.866 20 0 JDADLO CCOC1CC(O)(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC001502965410 1070919475 /nfs/dbraw/zinc/91/94/75/1070919475.db2.gz XLVVMVMNWNOVOI-KDARRYODSA-N 1 2 462.639 1.540 20 0 JDADLO CCOC1CC(O)(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC001502965409 1070919608 /nfs/dbraw/zinc/91/96/08/1070919608.db2.gz XLVVMVMNWNOVOI-HDJSMCDHSA-N 1 2 462.639 1.540 20 0 JDADLO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1O ZINC001504257336 1070936464 /nfs/dbraw/zinc/93/64/64/1070936464.db2.gz ZBNLBTHXAFZGBX-FQEVSTJZSA-N 1 2 472.590 1.687 20 0 JDADLO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1O ZINC001504257338 1070936631 /nfs/dbraw/zinc/93/66/31/1070936631.db2.gz ZBNLBTHXAFZGBX-HXUWFJFHSA-N 1 2 472.590 1.687 20 0 JDADLO COc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)c(OC)c1 ZINC001504258797 1070941880 /nfs/dbraw/zinc/94/18/80/1070941880.db2.gz JADRDIUASPNDTI-SFHVURJKSA-N 1 2 472.590 1.775 20 0 JDADLO CCOCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001502989121 1070941963 /nfs/dbraw/zinc/94/19/63/1070941963.db2.gz MSNYCECELIAAIE-LEWJYISDSA-N 1 2 491.681 1.523 20 0 JDADLO COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001504262355 1070960611 /nfs/dbraw/zinc/96/06/11/1070960611.db2.gz AEQRNHYDZBKDNJ-QGZVFWFLSA-N 1 2 471.587 1.667 20 0 JDADLO CCOCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@H]1COCCO1 ZINC001503009564 1070965506 /nfs/dbraw/zinc/96/55/06/1070965506.db2.gz OJMTYKGRKYDSMQ-ZWKOTPCHSA-N 1 2 451.593 1.801 20 0 JDADLO CCOCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@H]1COCCO1 ZINC001503009563 1070965911 /nfs/dbraw/zinc/96/59/11/1070965911.db2.gz OJMTYKGRKYDSMQ-ROUUACIJSA-N 1 2 451.593 1.801 20 0 JDADLO CCOCc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001503020014 1070971414 /nfs/dbraw/zinc/97/14/14/1070971414.db2.gz KJUCKOLOGDIPIP-SFHVURJKSA-N 1 2 452.600 1.983 20 0 JDADLO CCOCc1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001503022300 1070972009 /nfs/dbraw/zinc/97/20/09/1070972009.db2.gz OSCPZNSSPCBSQY-UHFFFAOYSA-N 1 2 450.609 1.975 20 0 JDADLO COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)cc1Cl ZINC001504264711 1070977580 /nfs/dbraw/zinc/97/75/80/1070977580.db2.gz WDIZOMVHCXWUDM-HNNXBMFYSA-N 1 2 487.026 1.367 20 0 JDADLO CCOCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503038143 1071000821 /nfs/dbraw/zinc/00/08/21/1071000821.db2.gz ILURMLCGLFPAOQ-QTDGGUCWSA-N 1 2 450.628 1.613 20 0 JDADLO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503039677 1071002274 /nfs/dbraw/zinc/00/22/74/1071002274.db2.gz UYIRVGQTFYEKAP-AZUAARDMSA-N 1 2 488.633 1.911 20 0 JDADLO CCOCc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503041802 1071004304 /nfs/dbraw/zinc/00/43/04/1071004304.db2.gz MMCPOKFEGUSFQT-NRFANRHFSA-N 1 2 483.617 1.468 20 0 JDADLO CCOCc1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503047658 1071007374 /nfs/dbraw/zinc/00/73/74/1071007374.db2.gz XVKJGDIMFRBDIA-PDGCRQIGSA-N 1 2 464.611 1.047 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CC(=O)NCC(F)F)CC2)cc1F ZINC001504284696 1071010207 /nfs/dbraw/zinc/01/02/07/1071010207.db2.gz JVNRDVFVCAWOOS-GOSISDBHSA-N 1 2 482.507 1.981 20 0 JDADLO CCOCc1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001503055354 1071010904 /nfs/dbraw/zinc/01/09/04/1071010904.db2.gz AQSKJOPNIPHWDG-JOCHJYFZSA-N 1 2 466.652 1.504 20 0 JDADLO CCOCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503056952 1071012318 /nfs/dbraw/zinc/01/23/18/1071012318.db2.gz AKLHCTKIVXNZCU-UHFFFAOYSA-N 1 2 485.699 1.091 20 0 JDADLO CCOCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503056952 1071012335 /nfs/dbraw/zinc/01/23/35/1071012335.db2.gz AKLHCTKIVXNZCU-UHFFFAOYSA-N 1 2 485.699 1.091 20 0 JDADLO CCOCc1nnc(N2CCC(N(C)C(C)=O)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503058382 1071014027 /nfs/dbraw/zinc/01/40/27/1071014027.db2.gz RKQFJEZJGCSAFB-UHFFFAOYSA-N 1 2 457.579 1.542 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCCNS(C)(=O)=O)CC1 ZINC001504293120 1071020006 /nfs/dbraw/zinc/02/00/06/1071020006.db2.gz RTXKMQACCFNQSK-KRWDZBQOSA-N 1 2 496.609 1.191 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503061676 1071016603 /nfs/dbraw/zinc/01/66/03/1071016603.db2.gz LBTXGZCEVLCYBD-UHFFFAOYSA-N 1 2 479.626 1.472 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCSC2)CC1 ZINC001504292013 1071018547 /nfs/dbraw/zinc/01/85/47/1071018547.db2.gz BXUHJTKCHWUUCK-HSZRJFAPSA-N 1 2 492.621 1.754 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)COCCO2)CC1 ZINC001504292550 1071019362 /nfs/dbraw/zinc/01/93/62/1071019362.db2.gz KEQCPDOTPZGNHN-XMMPIXPASA-N 1 2 490.580 1.692 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(C)c2)CC1 ZINC001504292450 1071019548 /nfs/dbraw/zinc/01/95/48/1071019548.db2.gz HXQOKIHFKAONDJ-UHFFFAOYSA-N 1 2 470.553 1.668 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NC(C)C)CC1 ZINC001504293548 1071020553 /nfs/dbraw/zinc/02/05/53/1071020553.db2.gz WXWMWOGNZRTVSC-GOSISDBHSA-N 1 2 473.553 1.224 20 0 JDADLO CCOCc1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503068099 1071024355 /nfs/dbraw/zinc/02/43/55/1071024355.db2.gz YQSMFCJBPFKMJT-QFIPXVFZSA-N 1 2 478.638 1.533 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](CNC(C)=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001503080545 1071029875 /nfs/dbraw/zinc/02/98/75/1071029875.db2.gz ZWKKLJDKGWNQIK-UYAOXDASSA-N 1 2 471.606 1.836 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503074764 1071027117 /nfs/dbraw/zinc/02/71/17/1071027117.db2.gz AAGXTCTYGZUMEK-SFTDATJTSA-N 1 2 456.591 1.678 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503074764 1071027124 /nfs/dbraw/zinc/02/71/24/1071027124.db2.gz AAGXTCTYGZUMEK-SFTDATJTSA-N 1 2 456.591 1.678 20 0 JDADLO COc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001504304579 1071032341 /nfs/dbraw/zinc/03/23/41/1071032341.db2.gz DDEGCLXWIWZVBQ-GOSISDBHSA-N 1 2 486.598 1.998 20 0 JDADLO CCOCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503091591 1071035988 /nfs/dbraw/zinc/03/59/88/1071035988.db2.gz NGACKJFLTUOVMJ-UHFFFAOYSA-N 1 2 489.665 1.598 20 0 JDADLO CCOCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001503096368 1071039392 /nfs/dbraw/zinc/03/93/92/1071039392.db2.gz VIUOIAOKEQIGLT-SFHVURJKSA-N 1 2 457.583 1.374 20 0 JDADLO CCOCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001503096368 1071039410 /nfs/dbraw/zinc/03/94/10/1071039410.db2.gz VIUOIAOKEQIGLT-SFHVURJKSA-N 1 2 457.583 1.374 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001503097231 1071040023 /nfs/dbraw/zinc/04/00/23/1071040023.db2.gz ZVJWHDYMANKTSJ-LEWJYISDSA-N 1 2 456.591 1.898 20 0 JDADLO CCOCc1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503106784 1071058311 /nfs/dbraw/zinc/05/83/11/1071058311.db2.gz GVPIKGNCTYINBR-TWEIKEKHSA-N 1 2 464.611 1.142 20 0 JDADLO CCOCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001503107075 1071058886 /nfs/dbraw/zinc/05/88/86/1071058886.db2.gz HVBUVZDXNKRAHN-IBGZPJMESA-N 1 2 482.564 1.723 20 0 JDADLO CCOCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001503104037 1071055234 /nfs/dbraw/zinc/05/52/34/1071055234.db2.gz UMUQHHABWRZJIO-HXUWFJFHSA-N 1 2 455.607 1.299 20 0 JDADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001503107169 1071059024 /nfs/dbraw/zinc/05/90/24/1071059024.db2.gz IQZONMPPNNOUGJ-UHFFFAOYSA-N 1 2 477.635 1.940 20 0 JDADLO COc1cccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)c1 ZINC001504326347 1071061778 /nfs/dbraw/zinc/06/17/78/1071061778.db2.gz WRPVSXQHCFHQEC-RLLQIKCJSA-N 1 2 463.604 1.717 20 0 JDADLO COc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2CCS(=O)(=O)CC2)c1 ZINC001504332915 1071064395 /nfs/dbraw/zinc/06/43/95/1071064395.db2.gz VUATWHUYRDHXEI-UHFFFAOYSA-N 1 2 463.604 1.547 20 0 JDADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCS(C)(=O)=O ZINC001503107376 1071059522 /nfs/dbraw/zinc/05/95/22/1071059522.db2.gz MIIIIQVQYKOQPA-UHFFFAOYSA-N 1 2 451.597 1.408 20 0 JDADLO COc1cccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCn2cccn2)[NH+](C)C)c1 ZINC001504326150 1071060590 /nfs/dbraw/zinc/06/05/90/1071060590.db2.gz UMNHLZXGEUWSAQ-CTNGQTDRSA-N 1 2 487.630 1.825 20 0 JDADLO CCOCc1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001503110869 1071066125 /nfs/dbraw/zinc/06/61/25/1071066125.db2.gz AAEJCBHXONFWJW-FQEVSTJZSA-N 1 2 472.638 1.888 20 0 JDADLO CCOCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503111028 1071066151 /nfs/dbraw/zinc/06/61/51/1071066151.db2.gz CVVVUJSMRCGVNR-NRFANRHFSA-N 1 2 477.654 1.060 20 0 JDADLO CCOCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503111029 1071066387 /nfs/dbraw/zinc/06/63/87/1071066387.db2.gz CVVVUJSMRCGVNR-OAQYLSRUSA-N 1 2 477.654 1.060 20 0 JDADLO CCOCc1nnc(N2CCN(CC(F)F)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001503111913 1071069169 /nfs/dbraw/zinc/06/91/69/1071069169.db2.gz DHKZDLMGMUAUSA-HXUWFJFHSA-N 1 2 460.595 1.410 20 0 JDADLO CCOCc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503117994 1071083746 /nfs/dbraw/zinc/08/37/46/1071083746.db2.gz RVABGZUPXPEYRW-SFHVURJKSA-N 1 2 496.609 1.185 20 0 JDADLO CCOCc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503117994 1071083759 /nfs/dbraw/zinc/08/37/59/1071083759.db2.gz RVABGZUPXPEYRW-SFHVURJKSA-N 1 2 496.609 1.185 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001503118436 1071084479 /nfs/dbraw/zinc/08/44/79/1071084479.db2.gz NYWWICISENRKSM-LJQANCHMSA-N 1 2 457.579 1.590 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001503122718 1071089102 /nfs/dbraw/zinc/08/91/02/1071089102.db2.gz FKNKVVXSOAYFIY-LPHOPBHVSA-N 1 2 466.533 1.737 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001503122722 1071089215 /nfs/dbraw/zinc/08/92/15/1071089215.db2.gz FKNKVVXSOAYFIY-VQIMIIECSA-N 1 2 466.533 1.737 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001503125800 1071091257 /nfs/dbraw/zinc/09/12/57/1071091257.db2.gz SPVMXFFQDYWBHB-SFHVURJKSA-N 1 2 480.610 1.409 20 0 JDADLO CCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503173546 1071119725 /nfs/dbraw/zinc/11/97/25/1071119725.db2.gz KPQRNOMWMREPFL-MOPGFXCFSA-N 1 2 461.611 1.179 20 0 JDADLO CCOCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503190560 1071136538 /nfs/dbraw/zinc/13/65/38/1071136538.db2.gz XLQVZHBMZJWNCA-SFHVURJKSA-N 1 2 469.590 1.868 20 0 JDADLO CCOCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503190556 1071136602 /nfs/dbraw/zinc/13/66/02/1071136602.db2.gz XLQVZHBMZJWNCA-GOSISDBHSA-N 1 2 469.590 1.868 20 0 JDADLO CCOCCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503196295 1071140479 /nfs/dbraw/zinc/14/04/79/1071140479.db2.gz DYDFKWHVHHGLGD-JOCHJYFZSA-N 1 2 472.590 1.818 20 0 JDADLO COc1ccccc1Cc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1c[nH+]ccc1OC ZINC001504406222 1071143030 /nfs/dbraw/zinc/14/30/30/1071143030.db2.gz ZFZBKCGFQCTOAV-SFHVURJKSA-N 1 2 457.556 1.953 20 0 JDADLO CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001503202711 1071147649 /nfs/dbraw/zinc/14/76/49/1071147649.db2.gz RLMPUVDYXUCUIY-UHFFFAOYSA-N 1 2 480.411 1.817 20 0 JDADLO CCOCCn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001503210938 1071155570 /nfs/dbraw/zinc/15/55/70/1071155570.db2.gz XLWLIVBIHZHUTL-JOCHJYFZSA-N 1 2 457.623 1.532 20 0 JDADLO COc1ccccc1CN(C)c1nnc([C@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504416277 1071168775 /nfs/dbraw/zinc/16/87/75/1071168775.db2.gz GHWMYDJTKBRZHQ-NRFANRHFSA-N 1 2 456.591 1.981 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001504418408 1071171859 /nfs/dbraw/zinc/17/18/59/1071171859.db2.gz XOQHFPFSWAOHIW-KDURUIRLSA-N 1 2 477.631 1.612 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001504418408 1071171902 /nfs/dbraw/zinc/17/19/02/1071171902.db2.gz XOQHFPFSWAOHIW-KDURUIRLSA-N 1 2 477.631 1.612 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1CC ZINC001503219602 1071173691 /nfs/dbraw/zinc/17/36/91/1071173691.db2.gz FEMSNLZBPVWSSM-QZTJIDSGSA-N 1 2 463.608 1.107 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1CC ZINC001503219602 1071173696 /nfs/dbraw/zinc/17/36/96/1071173696.db2.gz FEMSNLZBPVWSSM-QZTJIDSGSA-N 1 2 463.608 1.107 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503224839 1071193001 /nfs/dbraw/zinc/19/30/01/1071193001.db2.gz FAGHKSYHJXWEHF-SLFFLAALSA-N 1 2 469.652 1.892 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503224839 1071193012 /nfs/dbraw/zinc/19/30/12/1071193012.db2.gz FAGHKSYHJXWEHF-SLFFLAALSA-N 1 2 469.652 1.892 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C[C@H]1CC ZINC001503224663 1071193254 /nfs/dbraw/zinc/19/32/54/1071193254.db2.gz VCNZFDBSLBSTCW-WOJBJXKFSA-N 1 2 479.651 1.322 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C[C@H]1CC ZINC001503224663 1071193271 /nfs/dbraw/zinc/19/32/71/1071193271.db2.gz VCNZFDBSLBSTCW-WOJBJXKFSA-N 1 2 479.651 1.322 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCS(C)(=O)=O ZINC001504438394 1071206244 /nfs/dbraw/zinc/20/62/44/1071206244.db2.gz NSKIBEBNBRROKY-UHFFFAOYSA-N 1 2 472.571 1.632 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504440680 1071211178 /nfs/dbraw/zinc/21/11/78/1071211178.db2.gz UCOXYPPFTXYMJT-OALUTQOASA-N 1 2 472.590 1.678 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504440680 1071211188 /nfs/dbraw/zinc/21/11/88/1071211188.db2.gz UCOXYPPFTXYMJT-OALUTQOASA-N 1 2 472.590 1.678 20 0 JDADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503234624 1071214308 /nfs/dbraw/zinc/21/43/08/1071214308.db2.gz AVJDXKHCZQIZIJ-OAHLLOKOSA-N 1 2 451.597 1.185 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 ZINC001504454113 1071225054 /nfs/dbraw/zinc/22/50/54/1071225054.db2.gz SUHCKLHKLCZRIZ-SFHVURJKSA-N 1 2 472.571 1.872 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001504452420 1071222974 /nfs/dbraw/zinc/22/29/74/1071222974.db2.gz BDDLAPMUYFZBQK-KBPBESRZSA-N 1 2 491.540 1.413 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001504454385 1071226064 /nfs/dbraw/zinc/22/60/64/1071226064.db2.gz QQQIHISHJCCIFZ-SUNYJGFJSA-N 1 2 450.565 1.344 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001504455202 1071228703 /nfs/dbraw/zinc/22/87/03/1071228703.db2.gz YCKRVOXWJJJLAO-UHFFFAOYSA-N 1 2 451.535 1.293 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 ZINC001504455106 1071228776 /nfs/dbraw/zinc/22/87/76/1071228776.db2.gz WYGNMPRHTSVCJY-UZUQRXQVSA-N 1 2 486.598 1.747 20 0 JDADLO COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001504457055 1071233014 /nfs/dbraw/zinc/23/30/14/1071233014.db2.gz NBPQBSGEGOGXNH-HNNXBMFYSA-N 1 2 486.602 1.364 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001504458398 1071235457 /nfs/dbraw/zinc/23/54/57/1071235457.db2.gz AYXCOQVVNVKQCX-KRWDZBQOSA-N 1 2 472.496 1.940 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNS(C)(=O)=O ZINC001504458545 1071235566 /nfs/dbraw/zinc/23/55/66/1071235566.db2.gz VERWMJHLYCTABC-UHFFFAOYSA-N 1 2 474.543 1.154 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001504459182 1071236361 /nfs/dbraw/zinc/23/63/61/1071236361.db2.gz MBGPCWVMADMOOO-QAPCUYQASA-N 1 2 480.591 1.067 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 ZINC001504459107 1071236387 /nfs/dbraw/zinc/23/63/87/1071236387.db2.gz KHEGQJVNKIXJHX-IEBWSBKVSA-N 1 2 496.659 1.785 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001504459180 1071236493 /nfs/dbraw/zinc/23/64/93/1071236493.db2.gz MBGPCWVMADMOOO-CRAIPNDOSA-N 1 2 480.591 1.067 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC001504459009 1071236541 /nfs/dbraw/zinc/23/65/41/1071236541.db2.gz GZNGJMHJKJOFDG-UHFFFAOYSA-N 1 2 478.619 1.874 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 ZINC001504459031 1071236557 /nfs/dbraw/zinc/23/65/57/1071236557.db2.gz HXFNFDLYGCPIPJ-KRWDZBQOSA-N 1 2 487.561 1.317 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001504459131 1071236577 /nfs/dbraw/zinc/23/65/77/1071236577.db2.gz KSJWUBLFWGDAMP-MRXNPFEDSA-N 1 2 476.603 1.327 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001504459536 1071237027 /nfs/dbraw/zinc/23/70/27/1071237027.db2.gz PVMDQFRFUYNJSF-OALUTQOASA-N 1 2 496.659 1.641 20 0 JDADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001503243570 1071237034 /nfs/dbraw/zinc/23/70/34/1071237034.db2.gz VKXUJRDHLYLBCY-QZTJIDSGSA-N 1 2 452.625 1.889 20 0 JDADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503243570 1071237057 /nfs/dbraw/zinc/23/70/57/1071237057.db2.gz VKXUJRDHLYLBCY-QZTJIDSGSA-N 1 2 452.625 1.889 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001503243573 1071237262 /nfs/dbraw/zinc/23/72/62/1071237262.db2.gz VKXUJRDHLYLBCY-ROUUACIJSA-N 1 2 452.625 1.889 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503243573 1071237276 /nfs/dbraw/zinc/23/72/76/1071237276.db2.gz VKXUJRDHLYLBCY-ROUUACIJSA-N 1 2 452.625 1.889 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C ZINC001504459213 1071237325 /nfs/dbraw/zinc/23/73/25/1071237325.db2.gz MMCVWXNSIVIBKQ-UHFFFAOYSA-N 1 2 479.589 1.865 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001504459539 1071237404 /nfs/dbraw/zinc/23/74/04/1071237404.db2.gz PVMDQFRFUYNJSF-RBUKOAKNSA-N 1 2 496.659 1.641 20 0 JDADLO CO[C@@H]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001504472341 1071248589 /nfs/dbraw/zinc/24/85/89/1071248589.db2.gz OQAAHYPDEXWPRD-VDZJLULYSA-N 1 2 477.635 1.727 20 0 JDADLO CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC[C@@H]1C ZINC001504494442 1071272797 /nfs/dbraw/zinc/27/27/97/1071272797.db2.gz MNVYCSOGIDBGCS-NJNPRVFISA-N 1 2 466.652 1.485 20 0 JDADLO CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC[C@@H]1C ZINC001504494443 1071273240 /nfs/dbraw/zinc/27/32/40/1071273240.db2.gz MNVYCSOGIDBGCS-SVMVAKDDSA-N 1 2 466.652 1.485 20 0 JDADLO CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503253644 1071277892 /nfs/dbraw/zinc/27/78/92/1071277892.db2.gz BKCXOWGEUBLIFM-UHFFFAOYSA-N 1 2 476.994 1.853 20 0 JDADLO CO[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1(C)C ZINC001504506672 1071281821 /nfs/dbraw/zinc/28/18/21/1071281821.db2.gz WYEBSUSQMLYNID-WMZOPIPTSA-N 1 2 477.635 1.793 20 0 JDADLO CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001503256671 1071290059 /nfs/dbraw/zinc/29/00/59/1071290059.db2.gz JWAJRIQEFLMARN-UHFFFAOYSA-N 1 2 455.588 1.535 20 0 JDADLO CO[C@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504516043 1071291676 /nfs/dbraw/zinc/29/16/76/1071291676.db2.gz GGHQMLDCDJYBEG-HKUYNNGSSA-N 1 2 477.635 1.555 20 0 JDADLO CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001503259322 1071305428 /nfs/dbraw/zinc/30/54/28/1071305428.db2.gz NJDBTLMEXFNEMA-SFHVURJKSA-N 1 2 477.635 1.765 20 0 JDADLO COCC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001504528136 1071310798 /nfs/dbraw/zinc/31/07/98/1071310798.db2.gz IIXWXKSLDMXAED-UHFFFAOYSA-N 1 2 455.563 1.145 20 0 JDADLO CO[C@@H]1COCC[C@H]1Cn1c(CC(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504528944 1071312711 /nfs/dbraw/zinc/31/27/11/1071312711.db2.gz NFCKJADVRAXTKE-RJGXRXQPSA-N 1 2 478.682 1.759 20 0 JDADLO CO[C@@H]1COCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504528945 1071312922 /nfs/dbraw/zinc/31/29/22/1071312922.db2.gz NFCKJADVRAXTKE-XPWALMASSA-N 1 2 478.682 1.759 20 0 JDADLO COCC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001504529677 1071314019 /nfs/dbraw/zinc/31/40/19/1071314019.db2.gz BFISTQGRLQTBCP-VWLOTQADSA-N 1 2 486.617 1.950 20 0 JDADLO CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001503263314 1071319682 /nfs/dbraw/zinc/31/96/82/1071319682.db2.gz BOEVBFWICHYRDC-UHFFFAOYSA-N 1 2 480.660 1.261 20 0 JDADLO COCC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001504535251 1071334946 /nfs/dbraw/zinc/33/49/46/1071334946.db2.gz IHBRUNSBGBXKOB-QFIPXVFZSA-N 1 2 470.618 1.673 20 0 JDADLO COCC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001504535251 1071334963 /nfs/dbraw/zinc/33/49/63/1071334963.db2.gz IHBRUNSBGBXKOB-QFIPXVFZSA-N 1 2 470.618 1.673 20 0 JDADLO CCS(=O)(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001503267596 1071342620 /nfs/dbraw/zinc/34/26/20/1071342620.db2.gz AXBAFIUYRJLSRW-SFHVURJKSA-N 1 2 477.635 1.930 20 0 JDADLO CCS(=O)(=O)N(C)CCCn1c(CC2CC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503267735 1071343005 /nfs/dbraw/zinc/34/30/05/1071343005.db2.gz LPHWJVYLXWBPKS-UHFFFAOYSA-N 1 2 461.636 1.926 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001504537440 1071345729 /nfs/dbraw/zinc/34/57/29/1071345729.db2.gz BEYPWMCQSIRIRV-UHFFFAOYSA-N 1 2 480.573 1.382 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001504539789 1071357783 /nfs/dbraw/zinc/35/77/83/1071357783.db2.gz BWBHQCVXQVXUCU-UHFFFAOYSA-N 1 2 485.633 1.878 20 0 JDADLO CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503274581 1071380722 /nfs/dbraw/zinc/38/07/22/1071380722.db2.gz CUPIOJHEYFJAHG-UHFFFAOYSA-N 1 2 458.592 1.335 20 0 JDADLO CCS(=O)(=O)NCCCn1c(C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001503275569 1071385494 /nfs/dbraw/zinc/38/54/94/1071385494.db2.gz ZVCKBYFAQRRADP-UHFFFAOYSA-N 1 2 454.572 1.386 20 0 JDADLO COC[C@H](C)Cn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001504575254 1071394580 /nfs/dbraw/zinc/39/45/80/1071394580.db2.gz DNTWSKCDZGLEII-OTPAQWSUSA-N 1 2 492.665 1.734 20 0 JDADLO COC[C@H](C)Cn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504575253 1071394526 /nfs/dbraw/zinc/39/45/26/1071394526.db2.gz DNTWSKCDZGLEII-DNRQZRRGSA-N 1 2 492.665 1.734 20 0 JDADLO COC[C@H](C)Cn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001504575252 1071394801 /nfs/dbraw/zinc/39/48/01/1071394801.db2.gz DNTWSKCDZGLEII-CZSZKKDXSA-N 1 2 492.665 1.734 20 0 JDADLO COC[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504584062 1071410963 /nfs/dbraw/zinc/41/09/63/1071410963.db2.gz IDKNISVMGDBPKE-RTWAWAEBSA-N 1 2 490.624 1.977 20 0 JDADLO COC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504584060 1071411228 /nfs/dbraw/zinc/41/12/28/1071411228.db2.gz IDKNISVMGDBPKE-LEWJYISDSA-N 1 2 490.624 1.977 20 0 JDADLO COC[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504587759 1071423511 /nfs/dbraw/zinc/42/35/11/1071423511.db2.gz FBXSDRKWSXTJLU-CTNGQTDRSA-N 1 2 471.606 1.058 20 0 JDADLO COC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504588492 1071425052 /nfs/dbraw/zinc/42/50/52/1071425052.db2.gz IVYAGGHQQPMQBX-VXKWHMMOSA-N 1 2 487.649 1.541 20 0 JDADLO CCS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001503284768 1071459996 /nfs/dbraw/zinc/45/99/96/1071459996.db2.gz XYQJYSSXCYNXMR-UHFFFAOYSA-N 1 2 491.593 1.566 20 0 JDADLO COC[C@H](F)Cn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504607563 1071461554 /nfs/dbraw/zinc/46/15/54/1071461554.db2.gz JZUVMIHKMZKUSF-AZUAARDMSA-N 1 2 459.570 1.381 20 0 JDADLO COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504606903 1071461622 /nfs/dbraw/zinc/46/16/22/1071461622.db2.gz IBXUBWDRWQBAIH-GBESFXJTSA-N 1 2 452.575 1.290 20 0 JDADLO CCS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503285083 1071464600 /nfs/dbraw/zinc/46/46/00/1071464600.db2.gz PMEBUACCEMUXIF-GOSISDBHSA-N 1 2 463.608 1.483 20 0 JDADLO CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001503285314 1071466213 /nfs/dbraw/zinc/46/62/13/1071466213.db2.gz HVWMZNAVSZJMSG-UMSFTDKQSA-N 1 2 488.662 1.831 20 0 JDADLO CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001503285317 1071467242 /nfs/dbraw/zinc/46/72/42/1071467242.db2.gz HVWMZNAVSZJMSG-UUWRZZSWSA-N 1 2 488.662 1.831 20 0 JDADLO CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001503286037 1071470671 /nfs/dbraw/zinc/47/06/71/1071470671.db2.gz QAVDVKIIFTZANQ-GOSISDBHSA-N 1 2 492.650 1.617 20 0 JDADLO COCC1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001504611415 1071470659 /nfs/dbraw/zinc/47/06/59/1071470659.db2.gz DIRFIDPYSUSDNX-UHFFFAOYSA-N 1 2 471.606 1.949 20 0 JDADLO COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504613238 1071472811 /nfs/dbraw/zinc/47/28/11/1071472811.db2.gz VBRHEDVGWSHXID-PWRODBHTSA-N 1 2 468.618 1.388 20 0 JDADLO CCS(=O)(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503286836 1071476755 /nfs/dbraw/zinc/47/67/55/1071476755.db2.gz ZRRVTNMQYFKFMA-UYAOXDASSA-N 1 2 491.662 1.858 20 0 JDADLO CC[S@](=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503293034 1071499150 /nfs/dbraw/zinc/49/91/50/1071499150.db2.gz ZSGCMAGMRBKBMO-LUDFCHSCSA-N 1 2 458.632 1.703 20 0 JDADLO CC[S@](=O)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CCOC)CC1 ZINC001503293447 1071502195 /nfs/dbraw/zinc/50/21/95/1071502195.db2.gz GHTURULXYMUQBE-YTTGMZPUSA-N 1 2 459.576 1.131 20 0 JDADLO CC[S@@](=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001503296034 1071508651 /nfs/dbraw/zinc/50/86/51/1071508651.db2.gz HYZBECIQCGMOLF-JGCGQSQUSA-N 1 2 459.624 1.639 20 0 JDADLO CC[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001503296490 1071510664 /nfs/dbraw/zinc/51/06/64/1071510664.db2.gz YWMUKNPCKZZSGR-JGCGQSQUSA-N 1 2 455.588 1.835 20 0 JDADLO CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001503300056 1071517807 /nfs/dbraw/zinc/51/78/07/1071517807.db2.gz QSNWLVOFTFPXFY-AONNBLCTSA-N 1 2 474.631 1.637 20 0 JDADLO CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001503300063 1071517857 /nfs/dbraw/zinc/51/78/57/1071517857.db2.gz QTWNFKTWHPLUCS-UUJYQVMHSA-N 1 2 450.634 1.943 20 0 JDADLO CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001503300058 1071517936 /nfs/dbraw/zinc/51/79/36/1071517936.db2.gz QSNWLVOFTFPXFY-DUTUXMCTSA-N 1 2 474.631 1.637 20 0 JDADLO CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001503302094 1071521933 /nfs/dbraw/zinc/52/19/33/1071521933.db2.gz XNYQTEQBEZNBIE-AYLZSAKASA-N 1 2 460.604 1.199 20 0 JDADLO CC[S@@](=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001503313208 1071536177 /nfs/dbraw/zinc/53/61/77/1071536177.db2.gz NLZDSLJDNLMHNF-UUWRZZSWSA-N 1 2 488.658 1.857 20 0 JDADLO CC[S@@](=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001503313208 1071536188 /nfs/dbraw/zinc/53/61/88/1071536188.db2.gz NLZDSLJDNLMHNF-UUWRZZSWSA-N 1 2 488.658 1.857 20 0 JDADLO CCS[C@@H]1CC[C@@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503317303 1071538711 /nfs/dbraw/zinc/53/87/11/1071538711.db2.gz BLQPPIJLNAVCOF-GUDVDZBRSA-N 1 2 463.652 1.504 20 0 JDADLO COC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001504707943 1071558155 /nfs/dbraw/zinc/55/81/55/1071558155.db2.gz DDFBVOFRVNXOST-ZWKOTPCHSA-N 1 2 473.578 1.276 20 0 JDADLO CN(C)C(=O)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001503357139 1071558214 /nfs/dbraw/zinc/55/82/14/1071558214.db2.gz FONMVCGUFUSLCT-UHFFFAOYSA-N 1 2 475.638 1.320 20 0 JDADLO CN(C)C(=O)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001503357139 1071558228 /nfs/dbraw/zinc/55/82/28/1071558228.db2.gz FONMVCGUFUSLCT-UHFFFAOYSA-N 1 2 475.638 1.320 20 0 JDADLO COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)C[C@@H](C)O1 ZINC001504710936 1071566514 /nfs/dbraw/zinc/56/65/14/1071566514.db2.gz QQRKSNISNNKLJJ-MJGOQNOKSA-N 1 2 453.547 1.890 20 0 JDADLO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)C[C@@H](C)O1 ZINC001504725792 1071593254 /nfs/dbraw/zinc/59/32/54/1071593254.db2.gz DNCLOCNIZUVZSE-HBFSDRIKSA-N 1 2 463.604 1.757 20 0 JDADLO CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001503367791 1071596077 /nfs/dbraw/zinc/59/60/77/1071596077.db2.gz LORPGWNMKWCZNH-QGZVFWFLSA-N 1 2 480.660 1.085 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001504735042 1071608963 /nfs/dbraw/zinc/60/89/63/1071608963.db2.gz KIOCSHACNXWUFR-ICSRJNTNSA-N 1 2 454.579 1.889 20 0 JDADLO COCC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504749245 1071629376 /nfs/dbraw/zinc/62/93/76/1071629376.db2.gz ABQVANQJXVSUIE-LJQANCHMSA-N 1 2 471.400 1.592 20 0 JDADLO COCC[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001504749421 1071629941 /nfs/dbraw/zinc/62/99/41/1071629941.db2.gz BFGCYQFRGWWMGK-DEOSSOPVSA-N 1 2 474.581 1.616 20 0 JDADLO COCC[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001504749423 1071630117 /nfs/dbraw/zinc/63/01/17/1071630117.db2.gz BFGCYQFRGWWMGK-XMMPIXPASA-N 1 2 474.581 1.616 20 0 JDADLO CN(C)C(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001503378142 1071632287 /nfs/dbraw/zinc/63/22/87/1071632287.db2.gz QGCFUSCBNVPLRC-UHFFFAOYSA-N 1 2 484.605 1.311 20 0 JDADLO COCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001504751931 1071634496 /nfs/dbraw/zinc/63/44/96/1071634496.db2.gz GXJMBRNHWFRKPB-KOSHJBKYSA-N 1 2 471.606 1.225 20 0 JDADLO COCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504752498 1071635829 /nfs/dbraw/zinc/63/58/29/1071635829.db2.gz BHNIGKJAROKVJM-ROKPMTFOSA-N 1 2 478.638 1.093 20 0 JDADLO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1)c1c(F)cccc1F ZINC001503381923 1071637695 /nfs/dbraw/zinc/63/76/95/1071637695.db2.gz MSJRIRPDRGRMOW-ROUUACIJSA-N 1 2 484.573 1.792 20 0 JDADLO COCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504756106 1071643875 /nfs/dbraw/zinc/64/38/75/1071643875.db2.gz LVMWLPDSQGZXJE-DYESRHJHSA-N 1 2 450.609 1.657 20 0 JDADLO C[NH+](C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccsc1 ZINC001503388286 1071646604 /nfs/dbraw/zinc/64/66/04/1071646604.db2.gz NPXSZSYHVVMXRK-SJORKVTESA-N 1 2 466.633 1.607 20 0 JDADLO CN(C)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(CNS(C)(=O)=O)CC2)c[nH+]1 ZINC001503391972 1071652074 /nfs/dbraw/zinc/65/20/74/1071652074.db2.gz GZENIXFLYAIWSF-GOSISDBHSA-N 1 2 463.608 1.405 20 0 JDADLO CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CCC2)c[nH+]1 ZINC001503392179 1071652146 /nfs/dbraw/zinc/65/21/46/1071652146.db2.gz CWMNFMMZPPYUKJ-SFHVURJKSA-N 1 2 463.608 1.357 20 0 JDADLO CN(C)c1ccc(Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CCNS(C)(=O)=O)c[nH+]1 ZINC001503393144 1071653178 /nfs/dbraw/zinc/65/31/78/1071653178.db2.gz KPMGHQNNQXIXLV-UHFFFAOYSA-N 1 2 473.559 1.169 20 0 JDADLO CN(C)c1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCNS(C)(=O)=O)c[nH+]1 ZINC001503394333 1071653883 /nfs/dbraw/zinc/65/38/83/1071653883.db2.gz XEGQJYHAHGCBLO-IEBWSBKVSA-N 1 2 479.651 1.691 20 0 JDADLO CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001503394942 1071654369 /nfs/dbraw/zinc/65/43/69/1071654369.db2.gz USSVAKTUGDFKSO-GOSISDBHSA-N 1 2 461.636 1.610 20 0 JDADLO COCC[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504781365 1071669974 /nfs/dbraw/zinc/66/99/74/1071669974.db2.gz WDNQBYXZHIGFEC-ZJSXRUAMSA-N 1 2 478.638 1.346 20 0 JDADLO COCC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504781361 1071670011 /nfs/dbraw/zinc/67/00/11/1071670011.db2.gz WDNQBYXZHIGFEC-URXFXBBRSA-N 1 2 478.638 1.346 20 0 JDADLO COCC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC001504782245 1071671038 /nfs/dbraw/zinc/67/10/38/1071671038.db2.gz RUKJCGYRYJWKDO-RTBURBONSA-N 1 2 471.606 1.948 20 0 JDADLO COCC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC001504782238 1071671050 /nfs/dbraw/zinc/67/10/50/1071671050.db2.gz RUKJCGYRYJWKDO-RBUKOAKNSA-N 1 2 471.606 1.948 20 0 JDADLO COCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001504812984 1071685368 /nfs/dbraw/zinc/68/53/68/1071685368.db2.gz JPVJNOPKWOHHMV-IEBWSBKVSA-N 1 2 478.619 1.321 20 0 JDADLO COCCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001504819807 1071704796 /nfs/dbraw/zinc/70/47/96/1071704796.db2.gz JBLVQAWVTNBIHY-UHFFFAOYSA-N 1 2 458.563 1.546 20 0 JDADLO COCCCn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504828085 1071711783 /nfs/dbraw/zinc/71/17/83/1071711783.db2.gz RHGZBSDEPILIPB-QFIPXVFZSA-N 1 2 457.623 1.532 20 0 JDADLO COCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001504834033 1071728966 /nfs/dbraw/zinc/72/89/66/1071728966.db2.gz DISLOLGJEXPSLW-IBGZPJMESA-N 1 2 464.655 1.957 20 0 JDADLO COCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001504834033 1071728977 /nfs/dbraw/zinc/72/89/77/1071728977.db2.gz DISLOLGJEXPSLW-IBGZPJMESA-N 1 2 464.655 1.957 20 0 JDADLO COCCCn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001504834749 1071731962 /nfs/dbraw/zinc/73/19/62/1071731962.db2.gz WTQZSJIUWPWOPV-RDPSFJRHSA-N 1 2 478.638 1.488 20 0 JDADLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCOC2)n1CC1([S@](C)=O)CC1 ZINC001503448648 1071769168 /nfs/dbraw/zinc/76/91/68/1071769168.db2.gz HCTUZUWOTWAWFK-DRKIFQHWSA-N 1 2 453.653 1.878 20 0 JDADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CC(C)(C)O ZINC001503450434 1071773671 /nfs/dbraw/zinc/77/36/71/1071773671.db2.gz FHGYLNXOAYCIBN-KRWDZBQOSA-N 1 2 462.620 1.743 20 0 JDADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CC(C)(C)O ZINC001503450435 1071774096 /nfs/dbraw/zinc/77/40/96/1071774096.db2.gz FHGYLNXOAYCIBN-QGZVFWFLSA-N 1 2 462.620 1.743 20 0 JDADLO CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503482946 1071801833 /nfs/dbraw/zinc/80/18/33/1071801833.db2.gz NTFISRIWWAKWCX-FQEVSTJZSA-N 1 2 488.658 1.759 20 0 JDADLO CN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001503483492 1071802141 /nfs/dbraw/zinc/80/21/41/1071802141.db2.gz ABHWLQUKUYKJQY-HXUWFJFHSA-N 1 2 492.646 1.358 20 0 JDADLO CN(Cc1cnn(C)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001503497644 1071807593 /nfs/dbraw/zinc/80/75/93/1071807593.db2.gz JXOULVYQSOLCTI-UYAOXDASSA-N 1 2 475.594 1.992 20 0 JDADLO CN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001503496816 1071807189 /nfs/dbraw/zinc/80/71/89/1071807189.db2.gz QODIGOWADDYWIC-UHFFFAOYSA-N 1 2 453.551 1.406 20 0 JDADLO COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001504892072 1071816030 /nfs/dbraw/zinc/81/60/30/1071816030.db2.gz PHJHQHWJGDUEPC-UHFFFAOYSA-N 1 2 489.602 1.460 20 0 JDADLO COCCn1c(COc2ccccc2F)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504895944 1071821569 /nfs/dbraw/zinc/82/15/69/1071821569.db2.gz KLONIJWAYWLBBX-FQEVSTJZSA-N 1 2 476.597 1.874 20 0 JDADLO CN(CCc1cnccn1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001503578168 1071860978 /nfs/dbraw/zinc/86/09/78/1071860978.db2.gz SMALHCWHWVBKGT-UHFFFAOYSA-N 1 2 465.562 1.505 20 0 JDADLO CN(CCC(F)(F)F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503566704 1071856164 /nfs/dbraw/zinc/85/61/64/1071856164.db2.gz PJBNXGDAJFHRNJ-MRXNPFEDSA-N 1 2 488.536 1.849 20 0 JDADLO COCC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001504911511 1071866847 /nfs/dbraw/zinc/86/68/47/1071866847.db2.gz VHRUKDDTEWWEHI-KCEHZKJRSA-N 1 2 469.652 1.388 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C[C@H]1C ZINC001504911521 1071867792 /nfs/dbraw/zinc/86/77/92/1071867792.db2.gz VNBIBLCMXLKFEM-AUSIDOKSSA-N 1 2 461.611 1.681 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C[C@H]1C ZINC001504911521 1071867794 /nfs/dbraw/zinc/86/77/94/1071867794.db2.gz VNBIBLCMXLKFEM-AUSIDOKSSA-N 1 2 461.611 1.681 20 0 JDADLO CN(CCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC001503593227 1071869323 /nfs/dbraw/zinc/86/93/23/1071869323.db2.gz CSTGDQQCMLOESJ-UHFFFAOYSA-N 1 2 479.626 1.540 20 0 JDADLO CN(CCCS(C)(=O)=O)c1nnc(C(C)(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503603447 1071883112 /nfs/dbraw/zinc/88/31/12/1071883112.db2.gz OITPKHFPGVRJNT-UHFFFAOYSA-N 1 2 450.609 1.726 20 0 JDADLO COCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001504919084 1071888678 /nfs/dbraw/zinc/88/86/78/1071888678.db2.gz YAHVCODKXRDSHC-VQTJNVASSA-N 1 2 476.025 1.954 20 0 JDADLO C[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1)Cc1ccc(F)cc1 ZINC001503610573 1071894527 /nfs/dbraw/zinc/89/45/27/1071894527.db2.gz HZXYAVQTACVWBT-MOPGFXCFSA-N 1 2 492.621 1.543 20 0 JDADLO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1)Cc1ccc(F)cc1 ZINC001503610573 1071894533 /nfs/dbraw/zinc/89/45/33/1071894533.db2.gz HZXYAVQTACVWBT-MOPGFXCFSA-N 1 2 492.621 1.543 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 ZINC001503618473 1071904681 /nfs/dbraw/zinc/90/46/81/1071904681.db2.gz IJHVFXKLRTYDBX-FQEVSTJZSA-N 1 2 494.637 1.782 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCc1ccco1 ZINC001503618464 1071904849 /nfs/dbraw/zinc/90/48/49/1071904849.db2.gz ICIYPYPZDUUTTQ-UHFFFAOYSA-N 1 2 474.512 1.825 20 0 JDADLO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(C)CC2)c1 ZINC001503618514 1071905646 /nfs/dbraw/zinc/90/56/46/1071905646.db2.gz LUICOLSPMHSLPX-UHFFFAOYSA-N 1 2 462.620 1.764 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001503618854 1071906584 /nfs/dbraw/zinc/90/65/84/1071906584.db2.gz MEBCNIVGJPQVLF-IBGZPJMESA-N 1 2 463.604 1.197 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cncn1 ZINC001503617778 1071902941 /nfs/dbraw/zinc/90/29/41/1071902941.db2.gz BLZWGIPMBOLHSA-UHFFFAOYSA-N 1 2 450.345 1.096 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC(F)F ZINC001503617815 1071903434 /nfs/dbraw/zinc/90/34/34/1071903434.db2.gz CKTBISBOEYMONU-UHFFFAOYSA-N 1 2 474.516 1.485 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCCOC(F)F ZINC001503618947 1071907292 /nfs/dbraw/zinc/90/72/92/1071907292.db2.gz BKSLKZBOEWRMEI-UHFFFAOYSA-N 1 2 463.489 1.992 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl ZINC001503619004 1071907385 /nfs/dbraw/zinc/90/73/85/1071907385.db2.gz CCTOKOPSAPWPEC-AVRDEDQJSA-N 1 2 462.982 1.559 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001503619013 1071907639 /nfs/dbraw/zinc/90/76/39/1071907639.db2.gz CCTOKOPSAPWPEC-XMSQKQJNSA-N 1 2 462.982 1.559 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNS(C)(=O)=O ZINC001503619802 1071909967 /nfs/dbraw/zinc/90/99/67/1071909967.db2.gz LYODHKFZDYIHGB-UHFFFAOYSA-N 1 2 491.445 1.960 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCC(F)F ZINC001503619692 1071910082 /nfs/dbraw/zinc/91/00/82/1071910082.db2.gz RXKVEBACKNBTIB-UHFFFAOYSA-N 1 2 456.925 1.672 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001503620165 1071910801 /nfs/dbraw/zinc/91/08/01/1071910801.db2.gz YSVJIYPSEPPFDG-FQEVSTJZSA-N 1 2 497.566 1.686 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 ZINC001503620153 1071910835 /nfs/dbraw/zinc/91/08/35/1071910835.db2.gz YHLZLKXHCVZXFQ-MRXNPFEDSA-N 1 2 481.399 1.047 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001503620175 1071910881 /nfs/dbraw/zinc/91/08/81/1071910881.db2.gz YWRFALCWTOADKZ-SFHVURJKSA-N 1 2 467.540 1.917 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001503620174 1071910959 /nfs/dbraw/zinc/91/09/59/1071910959.db2.gz YWRFALCWTOADKZ-GOSISDBHSA-N 1 2 467.540 1.917 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001503620295 1071911707 /nfs/dbraw/zinc/91/17/07/1071911707.db2.gz SWCQLUULRVTABL-QGZVFWFLSA-N 1 2 455.529 1.936 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCCCC1 ZINC001503620960 1071913783 /nfs/dbraw/zinc/91/37/83/1071913783.db2.gz JIDHIEIQCRBOQR-UHFFFAOYSA-N 1 2 462.620 1.733 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001503618855 1071906728 /nfs/dbraw/zinc/90/67/28/1071906728.db2.gz MEBCNIVGJPQVLF-LJQANCHMSA-N 1 2 463.604 1.197 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCCCNC(=O)OC(C)(C)C ZINC001503618762 1071906747 /nfs/dbraw/zinc/90/67/47/1071906747.db2.gz PCJKTRYOFMJEAJ-UHFFFAOYSA-N 1 2 479.626 1.587 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@H](O)C1 ZINC001503621070 1071914541 /nfs/dbraw/zinc/91/45/41/1071914541.db2.gz MOFAMAYBZKZUFA-ROUUACIJSA-N 1 2 462.620 1.589 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS1 ZINC001503621434 1071916748 /nfs/dbraw/zinc/91/67/48/1071916748.db2.gz OXKAYBZOJFKNFN-MRXNPFEDSA-N 1 2 450.634 1.934 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)COC1 ZINC001503622329 1071920605 /nfs/dbraw/zinc/92/06/05/1071920605.db2.gz YLSMJKFDBVTGMR-HDICACEKSA-N 1 2 464.611 1.854 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001503623838 1071929422 /nfs/dbraw/zinc/92/94/22/1071929422.db2.gz JMFFFCCMRDTICX-IBGZPJMESA-N 1 2 477.635 1.939 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@](=O)C(C)(C)C)C[C@@H]1C ZINC001504929165 1071929686 /nfs/dbraw/zinc/92/96/86/1071929686.db2.gz XEPAWARYDZKHAJ-LMTQGEPESA-N 1 2 471.668 1.706 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@](=O)C(C)(C)C)C[C@@H]1C ZINC001504929165 1071929704 /nfs/dbraw/zinc/92/97/04/1071929704.db2.gz XEPAWARYDZKHAJ-LMTQGEPESA-N 1 2 471.668 1.706 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@@](=O)C(C)(C)C)C[C@H]1C ZINC001504929166 1071929866 /nfs/dbraw/zinc/92/98/66/1071929866.db2.gz XEPAWARYDZKHAJ-MGPMRCDKSA-N 1 2 471.668 1.706 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@@](=O)C(C)(C)C)C[C@H]1C ZINC001504929166 1071929878 /nfs/dbraw/zinc/92/98/78/1071929878.db2.gz XEPAWARYDZKHAJ-MGPMRCDKSA-N 1 2 471.668 1.706 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001503625898 1071934976 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Cc1cccc(NC(=O)NCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC001464950437 1067710624 /nfs/dbraw/zinc/71/06/24/1067710624.db2.gz KSRNKUDYUNLKGD-IBGZPJMESA-N 1 2 453.547 1.528 20 0 JDADLO Cc1cccc(NC(=O)NCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC001464950437 1067710631 /nfs/dbraw/zinc/71/06/31/1067710631.db2.gz KSRNKUDYUNLKGD-IBGZPJMESA-N 1 2 453.547 1.528 20 0 JDADLO COc1ccc(NC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001464987032 1067720445 /nfs/dbraw/zinc/72/04/45/1067720445.db2.gz FUTHJMGNRPVINW-KRWDZBQOSA-N 1 2 453.609 1.627 20 0 JDADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)Cc1ccccc1 ZINC001465055636 1067735279 /nfs/dbraw/zinc/73/52/79/1067735279.db2.gz YYIPRZGXCJMDCO-GOSISDBHSA-N 1 2 454.593 1.163 20 0 JDADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)Cc1ccccc1 ZINC001465055636 1067735281 /nfs/dbraw/zinc/73/52/81/1067735281.db2.gz YYIPRZGXCJMDCO-GOSISDBHSA-N 1 2 454.593 1.163 20 0 JDADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)Nc2ccccc2CN2C(=O)CNC2=O)C1 ZINC001465292409 1067773264 /nfs/dbraw/zinc/77/32/64/1067773264.db2.gz JUQGRXGGPWCNQD-FQEVSTJZSA-N 1 2 450.543 1.676 20 0 JDADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)Nc2ccccc2CN2C(=O)CNC2=O)C1 ZINC001465292409 1067773276 /nfs/dbraw/zinc/77/32/76/1067773276.db2.gz JUQGRXGGPWCNQD-FQEVSTJZSA-N 1 2 450.543 1.676 20 0 JDADLO C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC001465307709 1067777211 /nfs/dbraw/zinc/77/72/11/1067777211.db2.gz JVNSOFVAUCAECJ-PXDATVDWSA-N 1 2 450.539 1.513 20 0 JDADLO C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC001465307710 1067777262 /nfs/dbraw/zinc/77/72/62/1067777262.db2.gz JVNSOFVAUCAECJ-SQJMNOBHSA-N 1 2 450.539 1.513 20 0 JDADLO Cc1c(NC(=O)CSCC(=O)NC[C@H](C)Cn2cc[nH+]c2)c(=O)n(-c2ccccc2)n1C ZINC001465314850 1067778239 /nfs/dbraw/zinc/77/82/39/1067778239.db2.gz VRRFVSBREGPGAG-INIZCTEOSA-N 1 2 456.572 1.805 20 0 JDADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](C)Cn3cc[nH+]c3)CC2)o1 ZINC001465314071 1067778278 /nfs/dbraw/zinc/77/82/78/1067778278.db2.gz IZEDDCHNPLTXEU-OAHLLOKOSA-N 1 2 452.533 1.506 20 0 JDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC001465361992 1067786388 /nfs/dbraw/zinc/78/63/88/1067786388.db2.gz FIARIQPEWORREO-UHFFFAOYSA-N 1 2 452.512 1.538 20 0 JDADLO CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001465378136 1067790028 /nfs/dbraw/zinc/79/00/28/1067790028.db2.gz RICSQEBENHPMOE-KRWDZBQOSA-N 1 2 454.365 1.899 20 0 JDADLO O=C(CCSc1ccccc1Br)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379599 1067790970 /nfs/dbraw/zinc/79/09/70/1067790970.db2.gz PJPOTXNVBULCEM-HNNXBMFYSA-N 1 2 456.406 1.981 20 0 JDADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 ZINC001465420191 1067797703 /nfs/dbraw/zinc/79/77/03/1067797703.db2.gz HBKDWACBTSDPMN-UHFFFAOYSA-N 1 2 456.572 1.692 20 0 JDADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)C1 ZINC001465539140 1067808511 /nfs/dbraw/zinc/80/85/11/1067808511.db2.gz APGXBACPHFBGMM-NRFANRHFSA-N 1 2 452.559 1.230 20 0 JDADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)C1 ZINC001465539140 1067808516 /nfs/dbraw/zinc/80/85/16/1067808516.db2.gz APGXBACPHFBGMM-NRFANRHFSA-N 1 2 452.559 1.230 20 0 JDADLO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC001465546478 1067809897 /nfs/dbraw/zinc/80/98/97/1067809897.db2.gz QWJYVDLLJFBVRB-SFHVURJKSA-N 1 2 456.551 1.188 20 0 JDADLO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC001465546477 1067810015 /nfs/dbraw/zinc/81/00/15/1067810015.db2.gz QWJYVDLLJFBVRB-GOSISDBHSA-N 1 2 456.551 1.188 20 0 JDADLO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1CNC(=O)OC(C)(C)C ZINC001465599749 1067814135 /nfs/dbraw/zinc/81/41/35/1067814135.db2.gz HTTGBFGBPGDVLL-QRVBRYPASA-N 1 2 452.596 1.319 20 0 JDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001465702954 1067821707 /nfs/dbraw/zinc/82/17/07/1067821707.db2.gz TWYZMTNLBJKJCN-HXUWFJFHSA-N 1 2 453.605 1.405 20 0 JDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001465702467 1067821717 /nfs/dbraw/zinc/82/17/17/1067821717.db2.gz JPWVOQMDENMRNP-GOSISDBHSA-N 1 2 453.539 1.677 20 0 JDADLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001465702400 1067821760 /nfs/dbraw/zinc/82/17/60/1067821760.db2.gz INGURLXANHPOER-OALUTQOASA-N 1 2 453.605 1.323 20 0 JDADLO CCOC(=O)Cc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC001465728929 1067824177 /nfs/dbraw/zinc/82/41/77/1067824177.db2.gz YSIPTINCFQVSAP-UHFFFAOYSA-N 1 2 454.531 1.773 20 0 JDADLO CCOC(=O)Cc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC001465728929 1067824178 /nfs/dbraw/zinc/82/41/78/1067824178.db2.gz YSIPTINCFQVSAP-UHFFFAOYSA-N 1 2 454.531 1.773 20 0 JDADLO COc1cccc(CC(=O)N2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)c1 ZINC001465739680 1067824918 /nfs/dbraw/zinc/82/49/18/1067824918.db2.gz IGWOYRBEBBRPFH-UHFFFAOYSA-N 1 2 456.547 1.143 20 0 JDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001465817378 1067833830 /nfs/dbraw/zinc/83/38/30/1067833830.db2.gz YZFOVZLZSWDOND-SFHVURJKSA-N 1 2 457.481 1.710 20 0 JDADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)Cc1ccccc1Cl ZINC001465827420 1067834582 /nfs/dbraw/zinc/83/45/82/1067834582.db2.gz LPGNOCMKIVTMQD-UHFFFAOYSA-N 1 2 453.996 1.737 20 0 JDADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)Cc1ccccc1Cl ZINC001465827420 1067834584 /nfs/dbraw/zinc/83/45/84/1067834584.db2.gz LPGNOCMKIVTMQD-UHFFFAOYSA-N 1 2 453.996 1.737 20 0 JDADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 ZINC001465834998 1067835378 /nfs/dbraw/zinc/83/53/78/1067835378.db2.gz WPGJYRMESOUQRX-OAHLLOKOSA-N 1 2 452.602 1.722 20 0 JDADLO O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001465852459 1067836551 /nfs/dbraw/zinc/83/65/51/1067836551.db2.gz GDDFCWFRKQITBO-ZWKOTPCHSA-N 1 2 457.618 1.241 20 0 JDADLO O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001465852933 1067836846 /nfs/dbraw/zinc/83/68/46/1067836846.db2.gz RRJWRKQQMYFFOM-WOJBJXKFSA-N 1 2 451.589 1.037 20 0 JDADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC001465871780 1067838364 /nfs/dbraw/zinc/83/83/64/1067838364.db2.gz OCPFYIPIMFUIPD-KRWDZBQOSA-N 1 2 455.581 1.131 20 0 JDADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 ZINC001465900591 1067840789 /nfs/dbraw/zinc/84/07/89/1067840789.db2.gz YSHBRKRRMQTEEX-GDBMZVCRSA-N 1 2 451.955 1.485 20 0 JDADLO Cc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1S(=O)(=O)NC1CC1 ZINC001466037927 1067852488 /nfs/dbraw/zinc/85/24/88/1067852488.db2.gz RCYYPPFUPQNQBB-FQEVSTJZSA-N 1 2 454.618 1.765 20 0 JDADLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001466146752 1067864467 /nfs/dbraw/zinc/86/44/67/1067864467.db2.gz UVFKQMYEYWSAEQ-HNAYVOBHSA-N 1 2 452.602 1.868 20 0 JDADLO CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)ccc1OC ZINC001466304360 1067877858 /nfs/dbraw/zinc/87/78/58/1067877858.db2.gz UUBBXJJJVATQIY-KRWDZBQOSA-N 1 2 453.561 1.235 20 0 JDADLO CNC(=O)c1cccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1Br ZINC001466483144 1067887957 /nfs/dbraw/zinc/88/79/57/1067887957.db2.gz ZIGJESNPFFHWJL-IBGZPJMESA-N 1 2 455.353 1.546 20 0 JDADLO CNC(=O)c1cccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1Br ZINC001466483144 1067887959 /nfs/dbraw/zinc/88/79/59/1067887959.db2.gz ZIGJESNPFFHWJL-IBGZPJMESA-N 1 2 455.353 1.546 20 0 JDADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC001466484793 1067888136 /nfs/dbraw/zinc/88/81/36/1067888136.db2.gz UBHJQROMBSBWSA-UHFFFAOYSA-N 1 2 455.577 1.691 20 0 JDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001466646570 1067897223 /nfs/dbraw/zinc/89/72/23/1067897223.db2.gz DQXHKUAEDNAPSV-NCOADZHNSA-N 1 2 452.577 1.406 20 0 JDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 ZINC001466646571 1067897268 /nfs/dbraw/zinc/89/72/68/1067897268.db2.gz DQXHKUAEDNAPSV-QBPKDAKJSA-N 1 2 452.577 1.406 20 0 JDADLO COC(=O)Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1F ZINC001466885795 1067941213 /nfs/dbraw/zinc/94/12/13/1067941213.db2.gz RLWCYJVRHIUDPW-UHFFFAOYSA-N 1 2 458.494 1.522 20 0 JDADLO COC(=O)Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1F ZINC001466885795 1067941246 /nfs/dbraw/zinc/94/12/46/1067941246.db2.gz RLWCYJVRHIUDPW-UHFFFAOYSA-N 1 2 458.494 1.522 20 0 JDADLO CCOc1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC001466886081 1067941698 /nfs/dbraw/zinc/94/16/98/1067941698.db2.gz WHSXANHWMKZWNG-UHFFFAOYSA-N 1 2 451.524 1.893 20 0 JDADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC001466952201 1067953573 /nfs/dbraw/zinc/95/35/73/1067953573.db2.gz SIGUHMUWTMJVFB-LJQANCHMSA-N 1 2 456.634 1.350 20 0 JDADLO CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001546159749 1067966442 /nfs/dbraw/zinc/96/64/42/1067966442.db2.gz VEQUFUSFYQVRTQ-VQTJNVASSA-N 1 2 476.647 1.905 20 0 JDADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)CC1 ZINC001467237781 1067982112 /nfs/dbraw/zinc/98/21/12/1067982112.db2.gz VSNULYJEYBJPNB-UHFFFAOYSA-N 1 2 452.533 1.340 20 0 JDADLO C[NH+](C)[C@]1(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)COc2ccccc2C1 ZINC001467382680 1068010345 /nfs/dbraw/zinc/01/03/45/1068010345.db2.gz IPUXXNUSVCIUAF-FQEVSTJZSA-N 1 2 455.939 1.809 20 0 JDADLO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001467583982 1068032377 /nfs/dbraw/zinc/03/23/77/1068032377.db2.gz XZRSSTXLFRVLEZ-ODAXIHTASA-N 1 2 458.603 1.729 20 0 JDADLO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001467583982 1068032390 /nfs/dbraw/zinc/03/23/90/1068032390.db2.gz XZRSSTXLFRVLEZ-ODAXIHTASA-N 1 2 458.603 1.729 20 0 JDADLO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001467583985 1068032529 /nfs/dbraw/zinc/03/25/29/1068032529.db2.gz XZRSSTXLFRVLEZ-SSGKUCQKSA-N 1 2 458.603 1.729 20 0 JDADLO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001467583985 1068032544 /nfs/dbraw/zinc/03/25/44/1068032544.db2.gz XZRSSTXLFRVLEZ-SSGKUCQKSA-N 1 2 458.603 1.729 20 0 JDADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N(O)CCCN1C(=O)c2ccccc2C1=O ZINC001467583032 1068032794 /nfs/dbraw/zinc/03/27/94/1068032794.db2.gz SHUUBESILRCOTM-IBGZPJMESA-N 1 2 452.511 1.975 20 0 JDADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(O)CCCN1C(=O)c2ccccc2C1=O ZINC001467583032 1068032810 /nfs/dbraw/zinc/03/28/10/1068032810.db2.gz SHUUBESILRCOTM-IBGZPJMESA-N 1 2 452.511 1.975 20 0 JDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC001467589480 1068034059 /nfs/dbraw/zinc/03/40/59/1068034059.db2.gz RSISFKGNEGZZER-UXHICEINSA-N 1 2 450.580 1.487 20 0 JDADLO CC(C)[C@H]1C[C@@H](CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001467646139 1068042092 /nfs/dbraw/zinc/04/20/92/1068042092.db2.gz GBMLBIHTPBKAKZ-RBUKOAKNSA-N 1 2 453.609 1.284 20 0 JDADLO CC(C)[C@H]1C[C@H](CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001467646141 1068042528 /nfs/dbraw/zinc/04/25/28/1068042528.db2.gz GBMLBIHTPBKAKZ-RTBURBONSA-N 1 2 453.609 1.284 20 0 JDADLO COCC[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC001467646150 1068043261 /nfs/dbraw/zinc/04/32/61/1068043261.db2.gz GJQRMVGYIVGXKC-QGZVFWFLSA-N 1 2 451.549 1.203 20 0 JDADLO C[C@]1(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOc2ccccc21 ZINC001467646157 1068043516 /nfs/dbraw/zinc/04/35/16/1068043516.db2.gz GLUJUXVNJCIERE-QFIPXVFZSA-N 1 2 459.572 1.531 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H](Oc2ccccc2)C1 ZINC001467646862 1068043778 /nfs/dbraw/zinc/04/37/78/1068043778.db2.gz NCKCDJFIEKLRGP-FQEVSTJZSA-N 1 2 459.572 1.396 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H]1C1CCOCC1 ZINC001467647748 1068044429 /nfs/dbraw/zinc/04/44/29/1068044429.db2.gz WQHNXWXFOQHNHS-IBGZPJMESA-N 1 2 451.593 1.134 20 0 JDADLO CC(=O)c1ccc(CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001467647328 1068044715 /nfs/dbraw/zinc/04/47/15/1068044715.db2.gz TXMBILXVOGMMDL-UHFFFAOYSA-N 1 2 459.572 1.278 20 0 JDADLO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001467670401 1068049469 /nfs/dbraw/zinc/04/94/69/1068049469.db2.gz UEMMZYZARDGMFB-WBVHZDCISA-N 1 2 455.386 1.869 20 0 JDADLO CCS(=O)(=O)c1ccc(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC001467776209 1068064647 /nfs/dbraw/zinc/06/46/47/1068064647.db2.gz WSUHZSGERYRJMS-UHFFFAOYSA-N 1 2 450.586 1.682 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC001467840808 1068074070 /nfs/dbraw/zinc/07/40/70/1068074070.db2.gz UGNIYWCRNPLVSU-UHFFFAOYSA-N 1 2 454.568 1.239 20 0 JDADLO CN(C)CC[NH+]1CCC(NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CC1 ZINC001467843802 1068074618 /nfs/dbraw/zinc/07/46/18/1068074618.db2.gz RBTYIWBPHYJYAW-MSOLQXFVSA-N 1 2 463.545 1.270 20 0 JDADLO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001467886323 1068085063 /nfs/dbraw/zinc/08/50/63/1068085063.db2.gz PEBDCCSJECZHMT-SFHVURJKSA-N 1 2 457.593 1.984 20 0 JDADLO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001467886323 1068085077 /nfs/dbraw/zinc/08/50/77/1068085077.db2.gz PEBDCCSJECZHMT-SFHVURJKSA-N 1 2 457.593 1.984 20 0 JDADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)C2 ZINC001467892462 1068085365 /nfs/dbraw/zinc/08/53/65/1068085365.db2.gz VPHMATJGDHYRTJ-OAHLLOKOSA-N 1 2 452.552 1.687 20 0 JDADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)C2 ZINC001467892461 1068085503 /nfs/dbraw/zinc/08/55/03/1068085503.db2.gz VPHMATJGDHYRTJ-HNNXBMFYSA-N 1 2 452.552 1.687 20 0 JDADLO CCC(=O)Nc1cccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC001467900966 1068088335 /nfs/dbraw/zinc/08/83/35/1068088335.db2.gz LMGINKGQMWOCNI-KRWDZBQOSA-N 1 2 452.559 1.612 20 0 JDADLO CCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC001467900968 1068088576 /nfs/dbraw/zinc/08/85/76/1068088576.db2.gz LMGINKGQMWOCNI-QGZVFWFLSA-N 1 2 452.559 1.612 20 0 JDADLO COc1ccc(C(C)(C)C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467901422 1068089052 /nfs/dbraw/zinc/08/90/52/1068089052.db2.gz PPUYFYLKQCZQEP-SFHVURJKSA-N 1 2 453.587 1.936 20 0 JDADLO Cn1ccnc1[C@H](O)C1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC001467904246 1068090495 /nfs/dbraw/zinc/09/04/95/1068090495.db2.gz IOJDYFZUTHQNSL-JOCHJYFZSA-N 1 2 454.575 1.978 20 0 JDADLO COc1ccccc1[C@@H](CNC(=O)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O)[NH+]1CCCCC1 ZINC001468110709 1068169501 /nfs/dbraw/zinc/16/95/01/1068169501.db2.gz AWWMBDQZHZOPFP-ZSXPUABSSA-N 1 2 451.589 1.676 20 0 JDADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1 ZINC001468185119 1068200096 /nfs/dbraw/zinc/20/00/96/1068200096.db2.gz FHGZTGHHVWIJLL-RXVVDRJESA-N 1 2 459.616 1.771 20 0 JDADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC001468185119 1068200135 /nfs/dbraw/zinc/20/01/35/1068200135.db2.gz FHGZTGHHVWIJLL-RXVVDRJESA-N 1 2 459.616 1.771 20 0 JDADLO COc1cc(OC)cc(N2CC[C@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)c1 ZINC001468261871 1068216513 /nfs/dbraw/zinc/21/65/13/1068216513.db2.gz SCWNGBATPFHXIU-JTSKRJEESA-N 1 2 450.605 1.790 20 0 JDADLO COc1cc(OC)cc(N2CC[C@@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)c1 ZINC001468261873 1068216728 /nfs/dbraw/zinc/21/67/28/1068216728.db2.gz SCWNGBATPFHXIU-VGSWGCGISA-N 1 2 450.605 1.790 20 0 JDADLO CS(=O)(=O)C1CCC(CNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001468287783 1068224369 /nfs/dbraw/zinc/22/43/69/1068224369.db2.gz YNSXRQPXZMILDS-UHFFFAOYSA-N 1 2 453.605 1.800 20 0 JDADLO Cc1cc(N2CCC[C@H](NC(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)C2)n(C)n1 ZINC001468286764 1068224884 /nfs/dbraw/zinc/22/48/84/1068224884.db2.gz ONHBYBSQPUHUPZ-NRFANRHFSA-N 1 2 456.591 1.908 20 0 JDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001468306427 1068235824 /nfs/dbraw/zinc/23/58/24/1068235824.db2.gz BVKLWYUVCZCINW-NRFANRHFSA-N 1 2 459.568 1.867 20 0 JDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC001468308898 1068238445 /nfs/dbraw/zinc/23/84/45/1068238445.db2.gz NKTXNOPGVJEFDE-NHCUHLMSSA-N 1 2 480.631 1.590 20 0 JDADLO CN(C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001468310185 1068239194 /nfs/dbraw/zinc/23/91/94/1068239194.db2.gz SUDNKGQKIIVILA-QGZVFWFLSA-N 1 2 458.481 1.702 20 0 JDADLO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC001468312393 1068240740 /nfs/dbraw/zinc/24/07/40/1068240740.db2.gz KQPUPNBNPRHECP-OAQYLSRUSA-N 1 2 458.580 1.545 20 0 JDADLO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC001468312393 1068240770 /nfs/dbraw/zinc/24/07/70/1068240770.db2.gz KQPUPNBNPRHECP-OAQYLSRUSA-N 1 2 458.580 1.545 20 0 JDADLO C[C@](O)(C1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)C(F)(F)F ZINC001468362821 1068255800 /nfs/dbraw/zinc/25/58/00/1068255800.db2.gz DXFOZCRXFQWANK-FQEVSTJZSA-N 1 2 457.497 1.855 20 0 JDADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC001468459340 1068285686 /nfs/dbraw/zinc/28/56/86/1068285686.db2.gz FFUCZYJAIZYUBV-UHFFFAOYSA-N 1 2 451.499 1.865 20 0 JDADLO COC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C ZINC001468465580 1068288675 /nfs/dbraw/zinc/28/86/75/1068288675.db2.gz ASACWSQVMZVIHY-OALUTQOASA-N 1 2 459.547 1.326 20 0 JDADLO COC(=O)[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001468604072 1068321840 /nfs/dbraw/zinc/32/18/40/1068321840.db2.gz RCTATEFKXGKAQA-INIZCTEOSA-N 1 2 454.568 1.149 20 0 JDADLO COC(=O)[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001468604072 1068321857 /nfs/dbraw/zinc/32/18/57/1068321857.db2.gz RCTATEFKXGKAQA-INIZCTEOSA-N 1 2 454.568 1.149 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC001468635731 1068328969 /nfs/dbraw/zinc/32/89/69/1068328969.db2.gz DFCVCOBROZBMLN-UHFFFAOYSA-N 1 2 460.000 1.081 20 0 JDADLO Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)c(Cl)c1 ZINC001468644035 1068332367 /nfs/dbraw/zinc/33/23/67/1068332367.db2.gz XACWBMCOELFHQM-QZTJIDSGSA-N 1 2 452.983 1.990 20 0 JDADLO Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)c(Cl)c1 ZINC001468644035 1068332385 /nfs/dbraw/zinc/33/23/85/1068332385.db2.gz XACWBMCOELFHQM-QZTJIDSGSA-N 1 2 452.983 1.990 20 0 JDADLO COC(=O)c1cc(Br)c2c(c1)CN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)CCO2 ZINC001468648047 1068333362 /nfs/dbraw/zinc/33/33/62/1068333362.db2.gz VROQQYRPAVYROC-ZDUSSCGKSA-N 1 2 456.337 1.860 20 0 JDADLO COC(=O)c1cc(Br)c2c(c1)CN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)CCO2 ZINC001468648047 1068333384 /nfs/dbraw/zinc/33/33/84/1068333384.db2.gz VROQQYRPAVYROC-ZDUSSCGKSA-N 1 2 456.337 1.860 20 0 JDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001468657117 1068336918 /nfs/dbraw/zinc/33/69/18/1068336918.db2.gz KTYVOKRDIORGFX-RLLQIKCJSA-N 1 2 453.628 1.726 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001468710632 1068351272 /nfs/dbraw/zinc/35/12/72/1068351272.db2.gz DHKXPEMSPLELNC-QGZVFWFLSA-N 1 2 456.543 1.826 20 0 JDADLO CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC001468963070 1068407380 /nfs/dbraw/zinc/40/73/80/1068407380.db2.gz MAVBXANBMPKUPW-RKGKDDSLSA-N 1 2 458.632 1.929 20 0 JDADLO COCc1noc(CN2CCN(C(=O)NC3CC[NH+](c4ccc(N(C)C)cc4)CC3)CC2)n1 ZINC001469026106 1068428567 /nfs/dbraw/zinc/42/85/67/1068428567.db2.gz KSZTVWLGXHYDNP-UHFFFAOYSA-N 1 2 457.579 1.778 20 0 JDADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)cc1 ZINC001469025241 1068428937 /nfs/dbraw/zinc/42/89/37/1068428937.db2.gz HJIWGWABWFPCTI-XMSQKQJNSA-N 1 2 450.605 1.757 20 0 JDADLO CC[C@@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C(=O)N1CCOCC1 ZINC001469163433 1068455482 /nfs/dbraw/zinc/45/54/82/1068455482.db2.gz BXECTYHIYHJNBH-MRXNPFEDSA-N 1 2 452.353 1.884 20 0 JDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001469545788 1068543070 /nfs/dbraw/zinc/54/30/70/1068543070.db2.gz MCPXCPGPCLBWGX-SIKLNZKXSA-N 1 2 451.589 1.567 20 0 JDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001469545789 1068543389 /nfs/dbraw/zinc/54/33/89/1068543389.db2.gz MCPXCPGPCLBWGX-UGKGYDQZSA-N 1 2 451.589 1.567 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 ZINC001469673514 1068565148 /nfs/dbraw/zinc/56/51/48/1068565148.db2.gz CBYWQDTZRKMLFR-FQEVSTJZSA-N 1 2 453.605 1.203 20 0 JDADLO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001469879419 1068611980 /nfs/dbraw/zinc/61/19/80/1068611980.db2.gz AMIGSYNCVGVFAM-WTBHGACESA-N 1 2 453.630 1.632 20 0 JDADLO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001469879412 1068612340 /nfs/dbraw/zinc/61/23/40/1068612340.db2.gz AMIGSYNCVGVFAM-GRSWLUKJSA-N 1 2 453.630 1.632 20 0 JDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)CC1 ZINC001469955238 1068644514 /nfs/dbraw/zinc/64/45/14/1068644514.db2.gz YWWOVKSNWSGJBF-UHFFFAOYSA-N 1 2 450.425 1.731 20 0 JDADLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC[C@]1(O)CCOC1 ZINC001469956289 1068645921 /nfs/dbraw/zinc/64/59/21/1068645921.db2.gz MXDRKBOQKYFOAE-SJLPKXTDSA-N 1 2 459.328 1.706 20 0 JDADLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC[C@]1(O)CCOC1 ZINC001469956289 1068645929 /nfs/dbraw/zinc/64/59/29/1068645929.db2.gz MXDRKBOQKYFOAE-SJLPKXTDSA-N 1 2 459.328 1.706 20 0 JDADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@@H+]3C[C@@H](C)OC[C@@H]3C)CC2)cc1 ZINC001470002849 1068663394 /nfs/dbraw/zinc/66/33/94/1068663394.db2.gz SIPKDAAURVJKHT-ZWKOTPCHSA-N 1 2 453.605 1.711 20 0 JDADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@H+]3C[C@@H](C)OC[C@@H]3C)CC2)cc1 ZINC001470002849 1068663424 /nfs/dbraw/zinc/66/34/24/1068663424.db2.gz SIPKDAAURVJKHT-ZWKOTPCHSA-N 1 2 453.605 1.711 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001470224756 1068725949 /nfs/dbraw/zinc/72/59/49/1068725949.db2.gz DHHAPFIUNLNJTD-AHBWMYNMSA-N 1 2 450.539 1.585 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001470224756 1068725972 /nfs/dbraw/zinc/72/59/72/1068725972.db2.gz DHHAPFIUNLNJTD-AHBWMYNMSA-N 1 2 450.539 1.585 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001470224815 1068726913 /nfs/dbraw/zinc/72/69/13/1068726913.db2.gz DTLXBWUTSITJGV-CJFMBICVSA-N 1 2 459.587 1.426 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001470224815 1068726940 /nfs/dbraw/zinc/72/69/40/1068726940.db2.gz DTLXBWUTSITJGV-CJFMBICVSA-N 1 2 459.587 1.426 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001470226497 1068728532 /nfs/dbraw/zinc/72/85/32/1068728532.db2.gz SHEAMBQQWBMZKT-QHCPKHFHSA-N 1 2 459.568 1.833 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001470226497 1068728548 /nfs/dbraw/zinc/72/85/48/1068728548.db2.gz SHEAMBQQWBMZKT-QHCPKHFHSA-N 1 2 459.568 1.833 20 0 JDADLO O=C(Cc1ccc(I)cc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001470328783 1068746135 /nfs/dbraw/zinc/74/61/35/1068746135.db2.gz UKGGXBRTAXHQJG-UHFFFAOYSA-N 1 2 451.312 1.562 20 0 JDADLO Cn1c[nH+]c(CCNC(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001470446745 1068763687 /nfs/dbraw/zinc/76/36/87/1068763687.db2.gz SOVVAANIEJYNFD-UHFFFAOYSA-N 1 2 454.453 1.827 20 0 JDADLO Cn1c[nH+]c(CCNC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1 ZINC001470445717 1068763717 /nfs/dbraw/zinc/76/37/17/1068763717.db2.gz LXLJJOKYGUGZBJ-UHFFFAOYSA-N 1 2 456.366 1.441 20 0 JDADLO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001470450517 1068764211 /nfs/dbraw/zinc/76/42/11/1068764211.db2.gz AQWHWXMWLHDHPT-KRWDZBQOSA-N 1 2 457.525 1.923 20 0 JDADLO C[C@H](C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001470450519 1068764262 /nfs/dbraw/zinc/76/42/62/1068764262.db2.gz AQWHWXMWLHDHPT-QGZVFWFLSA-N 1 2 457.525 1.923 20 0 JDADLO CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c1 ZINC001470573222 1068783301 /nfs/dbraw/zinc/78/33/01/1068783301.db2.gz YCNOQPPSRCDGNS-HNNXBMFYSA-N 1 2 459.366 1.580 20 0 JDADLO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001470687666 1068802371 /nfs/dbraw/zinc/80/23/71/1068802371.db2.gz YWTQEPJDDQBCGF-OAHLLOKOSA-N 1 2 456.469 1.252 20 0 JDADLO CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC001470686862 1068802448 /nfs/dbraw/zinc/80/24/48/1068802448.db2.gz TUJDDJDECBHVFR-UXHICEINSA-N 1 2 451.539 1.994 20 0 JDADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC001470686866 1068802520 /nfs/dbraw/zinc/80/25/20/1068802520.db2.gz TUJDDJDECBHVFR-WOJBJXKFSA-N 1 2 451.539 1.994 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)c1 ZINC001470704375 1068804235 /nfs/dbraw/zinc/80/42/35/1068804235.db2.gz BHPVQNZACDHJAU-GOSISDBHSA-N 1 2 450.536 1.482 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)c1 ZINC001470704375 1068804237 /nfs/dbraw/zinc/80/42/37/1068804237.db2.gz BHPVQNZACDHJAU-GOSISDBHSA-N 1 2 450.536 1.482 20 0 JDADLO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001470723857 1068805187 /nfs/dbraw/zinc/80/51/87/1068805187.db2.gz OMZUKDUPFSTDCH-CXAGYDPISA-N 1 2 456.615 1.040 20 0 JDADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)C1 ZINC001470726510 1068805486 /nfs/dbraw/zinc/80/54/86/1068805486.db2.gz WUAVJPMAXBWMHF-MSOLQXFVSA-N 1 2 453.561 1.289 20 0 JDADLO CCOC(=O)[C@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H](O)c1ccncc1 ZINC001470813602 1068812607 /nfs/dbraw/zinc/81/26/07/1068812607.db2.gz RJNGEJRTCRECHV-MOPGFXCFSA-N 1 2 450.536 1.152 20 0 JDADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001470851380 1068817251 /nfs/dbraw/zinc/81/72/51/1068817251.db2.gz AZXGLSOADCEQJW-OKXSDPAFSA-N 1 2 451.589 1.755 20 0 JDADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001470851380 1068817256 /nfs/dbraw/zinc/81/72/56/1068817256.db2.gz AZXGLSOADCEQJW-OKXSDPAFSA-N 1 2 451.589 1.755 20 0 JDADLO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001470851382 1068817398 /nfs/dbraw/zinc/81/73/98/1068817398.db2.gz AZXGLSOADCEQJW-WTPASJBYSA-N 1 2 451.589 1.755 20 0 JDADLO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001470851382 1068817403 /nfs/dbraw/zinc/81/74/03/1068817403.db2.gz AZXGLSOADCEQJW-WTPASJBYSA-N 1 2 451.589 1.755 20 0 JDADLO COc1cccc([C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC[NH2+]2)c1 ZINC001470858519 1068818217 /nfs/dbraw/zinc/81/82/17/1068818217.db2.gz RRZINGMFHAVPEC-KRWDZBQOSA-N 1 2 454.346 1.892 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)c1 ZINC001471100847 1068835172 /nfs/dbraw/zinc/83/51/72/1068835172.db2.gz JGCDDXURBLPGQH-PWRODBHTSA-N 1 2 462.591 1.723 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)c1 ZINC001471100847 1068835174 /nfs/dbraw/zinc/83/51/74/1068835174.db2.gz JGCDDXURBLPGQH-PWRODBHTSA-N 1 2 462.591 1.723 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC(N4CCCS4(=O)=O)CC3)C2)c1 ZINC001471102052 1068835549 /nfs/dbraw/zinc/83/55/49/1068835549.db2.gz SJCHQNKTIKGWGC-OAQYLSRUSA-N 1 2 450.605 1.405 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC(N4CCCS4(=O)=O)CC3)C2)c1 ZINC001471102052 1068835553 /nfs/dbraw/zinc/83/55/53/1068835553.db2.gz SJCHQNKTIKGWGC-OAQYLSRUSA-N 1 2 450.605 1.405 20 0 JDADLO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC[NH+](Cc4ccc(O)cc4)CC3)C2=O)cc1 ZINC001471139647 1068838534 /nfs/dbraw/zinc/83/85/34/1068838534.db2.gz HBFNHFWZLNJEAL-XMMPIXPASA-N 1 2 452.511 1.512 20 0 JDADLO CO[C@](C)(CO)CNC(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001471321059 1068853851 /nfs/dbraw/zinc/85/38/51/1068853851.db2.gz ATNHBCCGCZXBIW-QHCPKHFHSA-N 1 2 450.580 1.936 20 0 JDADLO COc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001471334063 1068855299 /nfs/dbraw/zinc/85/52/99/1068855299.db2.gz OFKKBYKIMGYRRY-IBGZPJMESA-N 1 2 458.540 1.572 20 0 JDADLO COc1ccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001471334063 1068855301 /nfs/dbraw/zinc/85/53/01/1068855301.db2.gz OFKKBYKIMGYRRY-IBGZPJMESA-N 1 2 458.540 1.572 20 0 JDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001471396754 1068861561 /nfs/dbraw/zinc/86/15/61/1068861561.db2.gz YFNYGONWEXZXEC-GBESFXJTSA-N 1 2 450.584 1.533 20 0 JDADLO CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)NCC[N@@H+]1CCC3(C1)OCCO3)CCO2 ZINC001471408611 1068863003 /nfs/dbraw/zinc/86/30/03/1068863003.db2.gz AWAUDAOFAGOPLX-UHFFFAOYSA-N 1 2 454.568 1.247 20 0 JDADLO CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)NCC[N@H+]1CCC3(C1)OCCO3)CCO2 ZINC001471408611 1068863006 /nfs/dbraw/zinc/86/30/06/1068863006.db2.gz AWAUDAOFAGOPLX-UHFFFAOYSA-N 1 2 454.568 1.247 20 0 JDADLO O=C(NCCc1cc(Cl)cc(Br)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471548859 1068879016 /nfs/dbraw/zinc/87/90/16/1068879016.db2.gz WEHOLTVKRUYYJA-OAHLLOKOSA-N 1 2 458.784 1.942 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001471647440 1068887301 /nfs/dbraw/zinc/88/73/01/1068887301.db2.gz UJICWSKRDJMJDB-HOTGVXAUSA-N 1 2 455.437 1.821 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001471647440 1068887303 /nfs/dbraw/zinc/88/73/03/1068887303.db2.gz UJICWSKRDJMJDB-HOTGVXAUSA-N 1 2 455.437 1.821 20 0 JDADLO CCCCN1C(=O)CC[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)[C@@H]1c1ccccc1OC ZINC001471646283 1068887320 /nfs/dbraw/zinc/88/73/20/1068887320.db2.gz FKTCSFRFFLUHMQ-IPJJNNNSSA-N 1 2 455.559 1.972 20 0 JDADLO CCCCN1C(=O)CC[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)[C@@H]1c1ccccc1OC ZINC001471646283 1068887323 /nfs/dbraw/zinc/88/73/23/1068887323.db2.gz FKTCSFRFFLUHMQ-IPJJNNNSSA-N 1 2 455.559 1.972 20 0 JDADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001471702586 1068893541 /nfs/dbraw/zinc/89/35/41/1068893541.db2.gz PUFXOLVZQZRHIA-HXUWFJFHSA-N 1 2 451.495 1.772 20 0 JDADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001471702585 1068893568 /nfs/dbraw/zinc/89/35/68/1068893568.db2.gz PUFXOLVZQZRHIA-FQEVSTJZSA-N 1 2 451.495 1.772 20 0 JDADLO 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CC(=O)N(c1nc(C[NH2+]C[C@]23COCCN2C(=O)COC3)cs1)c1ccc(F)cc1F ZINC001474670533 1069248833 /nfs/dbraw/zinc/24/88/33/1069248833.db2.gz JCOJWUPWIWYVHG-HXUWFJFHSA-N 1 2 452.483 1.823 20 0 JDADLO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+]CC(=O)NCC(=O)NCc3ccccc3)on2)C1 ZINC001474701171 1069249027 /nfs/dbraw/zinc/24/90/27/1069249027.db2.gz GQGNQSAJEJEURO-UHFFFAOYSA-N 1 2 457.531 1.531 20 0 JDADLO CCS(=O)(=O)NCCS(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001474773097 1069252180 /nfs/dbraw/zinc/25/21/80/1069252180.db2.gz DYGUQUCQSCGIAQ-UHFFFAOYSA-N 1 2 451.614 1.663 20 0 JDADLO C[NH+](C)[C@@H](CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccco1 ZINC001474772488 1069252246 /nfs/dbraw/zinc/25/22/46/1069252246.db2.gz PUJRMTZTILLIGG-OALUTQOASA-N 1 2 451.545 1.839 20 0 JDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)n1 ZINC001474797836 1069259212 /nfs/dbraw/zinc/25/92/12/1069259212.db2.gz LTQVJSAOGBXBMS-ZDUSSCGKSA-N 1 2 454.412 1.364 20 0 JDADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)[NH+]1CCOCC1 ZINC001474821426 1069271513 /nfs/dbraw/zinc/27/15/13/1069271513.db2.gz CQLZPLWWDRDGLM-GOSISDBHSA-N 1 2 456.561 1.675 20 0 JDADLO COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3cccc4c3CC[N@H+](C)C4)CC2)c1 ZINC001474825979 1069274450 /nfs/dbraw/zinc/27/44/50/1069274450.db2.gz ZPXKMDGMLBPSAJ-UHFFFAOYSA-N 1 2 459.568 1.838 20 0 JDADLO COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)CC2)c1 ZINC001474825979 1069274465 /nfs/dbraw/zinc/27/44/65/1069274465.db2.gz ZPXKMDGMLBPSAJ-UHFFFAOYSA-N 1 2 459.568 1.838 20 0 JDADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C[C@H](C)O1 ZINC001474880629 1069293657 /nfs/dbraw/zinc/29/36/57/1069293657.db2.gz BCOIMTGBUGIWJA-JZXOWHBKSA-N 1 2 457.618 1.390 20 0 JDADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C[C@H](C)O1 ZINC001474880629 1069293671 /nfs/dbraw/zinc/29/36/71/1069293671.db2.gz BCOIMTGBUGIWJA-JZXOWHBKSA-N 1 2 457.618 1.390 20 0 JDADLO 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COC(=O)c1cc(F)cc(S(=O)(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)c1F ZINC001474928926 1069307713 /nfs/dbraw/zinc/30/77/13/1069307713.db2.gz NCUZNGXDQWSCOW-UHFFFAOYSA-N 1 2 453.511 1.977 20 0 JDADLO COC(=O)c1cc(F)cc(S(=O)(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)c1F ZINC001474928926 1069307736 /nfs/dbraw/zinc/30/77/36/1069307736.db2.gz NCUZNGXDQWSCOW-UHFFFAOYSA-N 1 2 453.511 1.977 20 0 JDADLO CS[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001505158103 1072392243 /nfs/dbraw/zinc/39/22/43/1072392243.db2.gz JFSMKFOKQFOWRN-IAGOWNOFSA-N 1 2 451.641 1.301 20 0 JDADLO CS[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001505158102 1072392468 /nfs/dbraw/zinc/39/24/68/1072392468.db2.gz JFSMKFOKQFOWRN-DLBZAZTESA-N 1 2 451.641 1.301 20 0 JDADLO CSC[C@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001505216472 1072422826 /nfs/dbraw/zinc/42/28/26/1072422826.db2.gz GHMZLUREURGWNV-GOEBONIOSA-N 1 2 453.638 1.729 20 0 JDADLO CSCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001505248343 1072432117 /nfs/dbraw/zinc/43/21/17/1072432117.db2.gz DJKIICQBLZPCGS-KRWDZBQOSA-N 1 2 457.666 1.624 20 0 JDADLO CSCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001505250671 1072433206 /nfs/dbraw/zinc/43/32/06/1072433206.db2.gz WAOCKFHUEFNHQT-QZTJIDSGSA-N 1 2 457.666 1.482 20 0 JDADLO CSCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001505255069 1072434830 /nfs/dbraw/zinc/43/48/30/1072434830.db2.gz QMAMXXUGMJJXRG-QZTJIDSGSA-N 1 2 497.691 1.883 20 0 JDADLO CSCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001505255071 1072434861 /nfs/dbraw/zinc/43/48/61/1072434861.db2.gz QMAMXXUGMJJXRG-ZWKOTPCHSA-N 1 2 497.691 1.883 20 0 JDADLO CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001505262866 1072438038 /nfs/dbraw/zinc/43/80/38/1072438038.db2.gz JYOQOHLFMMSQPB-INIZCTEOSA-N 1 2 451.622 1.358 20 0 JDADLO 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CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC4CCCC4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001508231899 1072997292 /nfs/dbraw/zinc/99/72/92/1072997292.db2.gz JQNYGTAOKVZLLB-WIYYLYMNSA-N 1 2 480.679 1.434 20 0 JDADLO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC4CCCC4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001508231898 1072997702 /nfs/dbraw/zinc/99/77/02/1072997702.db2.gz JQNYGTAOKVZLLB-RXVVDRJESA-N 1 2 480.679 1.434 20 0 JDADLO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC4CCCC4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001508231898 1072997708 /nfs/dbraw/zinc/99/77/08/1072997708.db2.gz JQNYGTAOKVZLLB-RXVVDRJESA-N 1 2 480.679 1.434 20 0 JDADLO CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001508238002 1073011232 /nfs/dbraw/zinc/01/12/32/1073011232.db2.gz RMTJYCLXUPZPLG-UHFFFAOYSA-N 1 2 483.617 1.927 20 0 JDADLO CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001508238002 1073011246 /nfs/dbraw/zinc/01/12/46/1073011246.db2.gz RMTJYCLXUPZPLG-UHFFFAOYSA-N 1 2 483.617 1.927 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)[nH+]2)[C@@H](C)C1 ZINC001508238238 1073011952 /nfs/dbraw/zinc/01/19/52/1073011952.db2.gz SMFUUOXGJYUEBX-IRXDYDNUSA-N 1 2 463.608 1.282 20 0 JDADLO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001508260133 1073028282 /nfs/dbraw/zinc/02/82/82/1073028282.db2.gz MWNWDOWOHDZHDQ-FQEVSTJZSA-N 1 2 456.591 1.863 20 0 JDADLO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001508260133 1073028293 /nfs/dbraw/zinc/02/82/93/1073028293.db2.gz MWNWDOWOHDZHDQ-FQEVSTJZSA-N 1 2 456.591 1.863 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001508266109 1073031717 /nfs/dbraw/zinc/03/17/17/1073031717.db2.gz MJDWRXBWCYMTKZ-ICSRJNTNSA-N 1 2 491.637 1.739 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001508266109 1073031735 /nfs/dbraw/zinc/03/17/35/1073031735.db2.gz MJDWRXBWCYMTKZ-ICSRJNTNSA-N 1 2 491.637 1.739 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N(C)CC2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001508274202 1073043043 /nfs/dbraw/zinc/04/30/43/1073043043.db2.gz FOFDUDIQKRPTHL-UHFFFAOYSA-N 1 2 469.590 1.455 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001508274562 1073043147 /nfs/dbraw/zinc/04/31/47/1073043147.db2.gz PSNOZJHXZROXPH-QGZVFWFLSA-N 1 2 475.619 1.049 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3CCO[C@H](Cn4cc(C)cn4)C3)nnc2C(C)(C)C)CC1 ZINC001508274529 1073043228 /nfs/dbraw/zinc/04/32/28/1073043228.db2.gz PJCJNMWUWCQBSD-FQEVSTJZSA-N 1 2 458.611 1.150 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001508274626 1073043693 /nfs/dbraw/zinc/04/36/93/1073043693.db2.gz RMYICIOTMXNCMH-RTBURBONSA-N 1 2 477.610 1.397 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N(C)Cc3cnn(C)c3C)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001508275330 1073045783 /nfs/dbraw/zinc/04/57/83/1073045783.db2.gz VCZVGHGQZOCWRS-DEOSSOPVSA-N 1 2 488.637 1.161 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001508275793 1073046648 /nfs/dbraw/zinc/04/66/48/1073046648.db2.gz WTGJNXMYUMDSQH-WBVHZDCISA-N 1 2 463.583 1.228 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3CC[C@@](O)(c4ccc(F)cc4)C3)nnc2C(C)(C)C)CC1 ZINC001508276265 1073047685 /nfs/dbraw/zinc/04/76/85/1073047685.db2.gz ZNKNUPYRHPDDGW-DEOSSOPVSA-N 1 2 458.582 1.977 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N(C)CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001508276594 1073048514 /nfs/dbraw/zinc/04/85/14/1073048514.db2.gz NCILHEYSKUABON-UHFFFAOYSA-N 1 2 491.662 1.289 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001508277303 1073050107 /nfs/dbraw/zinc/05/01/07/1073050107.db2.gz OZQUPZWBLIUVTP-UHFFFAOYSA-N 1 2 463.533 1.919 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC=CCC2)CC1 ZINC001508277226 1073050252 /nfs/dbraw/zinc/05/02/52/1073050252.db2.gz FOBYDBKULUTCBM-HXUWFJFHSA-N 1 2 489.621 1.517 20 0 JDADLO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCCOC4)n3CC[S@](=O)C(C)(C)C)C[C@@H]2C)CC1 ZINC001508277424 1073050616 /nfs/dbraw/zinc/05/06/16/1073050616.db2.gz XFHNOZNIBGFIRF-INEFCMPDSA-N 1 2 494.706 1.708 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001508278284 1073053408 /nfs/dbraw/zinc/05/34/08/1073053408.db2.gz HQISKYRTBXFVDA-FVQBIDKESA-N 1 2 457.501 1.028 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC001508278422 1073054377 /nfs/dbraw/zinc/05/43/77/1073054377.db2.gz KSNJWHPKLDFLAH-UHFFFAOYSA-N 1 2 489.650 1.347 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001508278483 1073054446 /nfs/dbraw/zinc/05/44/46/1073054446.db2.gz MMTKOIYSVGOPOI-UHFFFAOYSA-N 1 2 459.639 1.795 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001508279010 1073055592 /nfs/dbraw/zinc/05/55/92/1073055592.db2.gz WSAAOVCGMMZBGC-ZWKOTPCHSA-N 1 2 460.554 1.946 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCc3ccccc32)CC1 ZINC001508279033 1073056124 /nfs/dbraw/zinc/05/61/24/1073056124.db2.gz WWTCCQLWVGPKLB-DYESRHJHSA-N 1 2 489.646 1.176 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001508279066 1073056197 /nfs/dbraw/zinc/05/61/97/1073056197.db2.gz OVIOELADQKZRIC-FQEVSTJZSA-N 1 2 491.637 1.741 20 0 JDADLO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001508279078 1073056252 /nfs/dbraw/zinc/05/62/52/1073056252.db2.gz PHGBOTCQQQVEIN-OAQYLSRUSA-N 1 2 473.647 1.399 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCc3ccccc32)CC1 ZINC001508279035 1073056331 /nfs/dbraw/zinc/05/63/31/1073056331.db2.gz WWTCCQLWVGPKLB-LAUBAEHRSA-N 1 2 489.646 1.176 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001508279486 1073057552 /nfs/dbraw/zinc/05/75/52/1073057552.db2.gz REFLGCFWTZRPEZ-UHFFFAOYSA-N 1 2 455.607 1.822 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001508279633 1073057969 /nfs/dbraw/zinc/05/79/69/1073057969.db2.gz UACOSBCNQQKEIA-PMACEKPBSA-N 1 2 475.638 1.077 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001508279569 1073058025 /nfs/dbraw/zinc/05/80/25/1073058025.db2.gz SJEACXOWCQMBIM-PZJWPPBQSA-N 1 2 475.638 1.377 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001508279897 1073058860 /nfs/dbraw/zinc/05/88/60/1073058860.db2.gz RJICSWVPXGWZQX-UHFFFAOYSA-N 1 2 465.558 1.746 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CC1 ZINC001508279967 1073058889 /nfs/dbraw/zinc/05/88/89/1073058889.db2.gz USVDOHUBDHAJBX-NHCUHLMSSA-N 1 2 475.638 1.425 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 ZINC001508279961 1073059080 /nfs/dbraw/zinc/05/90/80/1073059080.db2.gz USVDOHUBDHAJBX-LEWJYISDSA-N 1 2 475.638 1.425 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC001508280003 1073059434 /nfs/dbraw/zinc/05/94/34/1073059434.db2.gz UZRBZWZGZOEBFY-UHFFFAOYSA-N 1 2 457.579 1.196 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC001508280011 1073059484 /nfs/dbraw/zinc/05/94/84/1073059484.db2.gz VDRNOVLLAPZLEK-UHFFFAOYSA-N 1 2 471.606 1.586 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001508280722 1073060030 /nfs/dbraw/zinc/06/00/30/1073060030.db2.gz XOLDVVKHCQUKIE-SFHVURJKSA-N 1 2 471.581 1.229 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001508280544 1073060133 /nfs/dbraw/zinc/06/01/33/1073060133.db2.gz WDMXEZIBTHHKTC-FOIQADDNSA-N 1 2 475.544 1.869 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(Cc2cccs2)C(C)C)CC1 ZINC001508280427 1073060152 /nfs/dbraw/zinc/06/01/52/1073060152.db2.gz VAZDZKPQDIJEMY-IBGZPJMESA-N 1 2 459.620 1.870 20 0 JDADLO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001508306631 1073073307 /nfs/dbraw/zinc/07/33/07/1073073307.db2.gz MMHGYGHWFQGYAY-XEVCZEQESA-N 1 2 464.636 1.326 20 0 JDADLO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001508306631 1073073331 /nfs/dbraw/zinc/07/33/31/1073073331.db2.gz MMHGYGHWFQGYAY-XEVCZEQESA-N 1 2 464.636 1.326 20 0 JDADLO CC(=O)NC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001508332728 1073091532 /nfs/dbraw/zinc/09/15/32/1073091532.db2.gz JMBCJXILHNLHIL-INIZCTEOSA-N 1 2 486.602 1.227 20 0 JDADLO CC(=O)NC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001508340246 1073096783 /nfs/dbraw/zinc/09/67/83/1073096783.db2.gz AHWQLTUPYQMFGL-UHFFFAOYSA-N 1 2 489.571 1.416 20 0 JDADLO CC(=O)NCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)CC1 ZINC001508366103 1073135097 /nfs/dbraw/zinc/13/50/97/1073135097.db2.gz RAIQOSRWHDPANI-IBGZPJMESA-N 1 2 475.619 1.430 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001508386714 1073192593 /nfs/dbraw/zinc/19/25/93/1073192593.db2.gz WGOCSFRVFODENW-DENIHFKCSA-N 1 2 472.590 1.228 20 0 JDADLO CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001508399073 1073209554 /nfs/dbraw/zinc/20/95/54/1073209554.db2.gz UKSAHQHBJUUXTE-QHCPKHFHSA-N 1 2 484.649 1.021 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)Br)CC1 ZINC001508431270 1073226960 /nfs/dbraw/zinc/22/69/60/1073226960.db2.gz FPQQXYBWVIPZRJ-GJZGRUSLSA-N 1 2 491.381 1.903 20 0 JDADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N(C)C)CC1 ZINC001508436631 1073236172 /nfs/dbraw/zinc/23/61/72/1073236172.db2.gz WWMWSDSORPBMAX-MRXNPFEDSA-N 1 2 474.009 1.866 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N(C)C)CC1 ZINC001508438207 1073237326 /nfs/dbraw/zinc/23/73/26/1073237326.db2.gz YVWNTQVUEWQTLX-GOSISDBHSA-N 1 2 471.581 1.229 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCCCCS(C)(=O)=O)CC1 ZINC001508438354 1073238191 /nfs/dbraw/zinc/23/81/91/1073238191.db2.gz ZGAYOLMECRMZTF-WOJBJXKFSA-N 1 2 496.678 1.477 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508438831 1073239843 /nfs/dbraw/zinc/23/98/43/1073239843.db2.gz CQEWVBQBUMUPAZ-WSTZPKSXSA-N 1 2 492.646 1.710 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001508439991 1073242398 /nfs/dbraw/zinc/24/23/98/1073242398.db2.gz OCGZPVXTYHUMPI-RTBURBONSA-N 1 2 499.641 1.951 20 0 JDADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cn2ccccc2[nH+]1 ZINC001508441963 1073244932 /nfs/dbraw/zinc/24/49/32/1073244932.db2.gz WDORFGXSADSQEM-IRXDYDNUSA-N 1 2 473.603 1.662 20 0 JDADLO C[C@H]([C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cn2ccccc2[nH+]1)S(C)(=O)=O ZINC001508441955 1073245005 /nfs/dbraw/zinc/24/50/05/1073245005.db2.gz WDORFGXSADSQEM-DLBZAZTESA-N 1 2 473.603 1.662 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508447473 1073252701 /nfs/dbraw/zinc/25/27/01/1073252701.db2.gz WGLRAUVEUGKAFF-RTBURBONSA-N 1 2 499.641 1.802 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)CC1 ZINC001508623733 1073290608 /nfs/dbraw/zinc/29/06/08/1073290608.db2.gz PMQWULMKSPHOIM-SFHVURJKSA-N 1 2 468.668 1.212 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001508624831 1073292392 /nfs/dbraw/zinc/29/23/92/1073292392.db2.gz ZJPMUBYBSCSMSC-SFHVURJKSA-N 1 2 460.604 1.248 20 0 JDADLO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCS(C)(=O)=O ZINC001508645078 1073306047 /nfs/dbraw/zinc/30/60/47/1073306047.db2.gz HARXAKOSGBWDEN-SFHVURJKSA-N 1 2 498.650 1.306 20 0 JDADLO CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001508705784 1073345669 /nfs/dbraw/zinc/34/56/69/1073345669.db2.gz XBKLRZBNZLBUJJ-HNNXBMFYSA-N 1 2 460.501 1.392 20 0 JDADLO CC(C)(Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001508720473 1073350927 /nfs/dbraw/zinc/35/09/27/1073350927.db2.gz GEPAJHCXMZUNAR-ZWKOTPCHSA-N 1 2 470.640 1.006 20 0 JDADLO CC(C)C(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001508754836 1073357822 /nfs/dbraw/zinc/35/78/22/1073357822.db2.gz BZWQTPSPPLFXMP-NRFANRHFSA-N 1 2 489.665 1.566 20 0 JDADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001508775304 1073370179 /nfs/dbraw/zinc/37/01/79/1073370179.db2.gz XLZRNALLMHCGMW-NHCUHLMSSA-N 1 2 489.665 1.612 20 0 JDADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001508775298 1073370312 /nfs/dbraw/zinc/37/03/12/1073370312.db2.gz XLZRNALLMHCGMW-LEWJYISDSA-N 1 2 489.665 1.612 20 0 JDADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001508783494 1073374997 /nfs/dbraw/zinc/37/49/97/1073374997.db2.gz XWKUWFCGYOJOLQ-FPOVZHCZSA-N 1 2 455.607 1.726 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001508805442 1073388361 /nfs/dbraw/zinc/38/83/61/1073388361.db2.gz KEIFQTZBSJQHJY-UHFFFAOYSA-N 1 2 464.574 1.957 20 0 JDADLO CC(C)C(=O)NCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001508821766 1073398634 /nfs/dbraw/zinc/39/86/34/1073398634.db2.gz KTMPOEXJOJYDBF-UHFFFAOYSA-N 1 2 468.562 1.135 20 0 JDADLO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508823408 1073400134 /nfs/dbraw/zinc/40/01/34/1073400134.db2.gz XXDLDZHOMABZEQ-FQEVSTJZSA-N 1 2 482.633 1.169 20 0 JDADLO CC(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001508824421 1073401274 /nfs/dbraw/zinc/40/12/74/1073401274.db2.gz VZBSTISQYHRWCQ-QFIPXVFZSA-N 1 2 484.649 1.344 20 0 JDADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC001508854009 1073418297 /nfs/dbraw/zinc/41/82/97/1073418297.db2.gz LACHRSRFZBZQSE-NRFANRHFSA-N 1 2 489.665 1.566 20 0 JDADLO CC(C)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001508927356 1073448275 /nfs/dbraw/zinc/44/82/75/1073448275.db2.gz RYAZHDIMCVAIQR-UHFFFAOYSA-N 1 2 451.593 1.652 20 0 JDADLO CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001508974140 1073458623 /nfs/dbraw/zinc/45/86/23/1073458623.db2.gz CISPGOVUGKHNJH-UYAOXDASSA-N 1 2 468.668 1.953 20 0 JDADLO CC(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001508991502 1073462973 /nfs/dbraw/zinc/46/29/73/1073462973.db2.gz UJGBOIVVJWZQDS-NRFANRHFSA-N 1 2 476.647 1.774 20 0 JDADLO CC(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001508991502 1073462981 /nfs/dbraw/zinc/46/29/81/1073462981.db2.gz UJGBOIVVJWZQDS-NRFANRHFSA-N 1 2 476.647 1.774 20 0 JDADLO CC(C)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001508994653 1073466789 /nfs/dbraw/zinc/46/67/89/1073466789.db2.gz WBOKHIMYLMGMKE-GOSISDBHSA-N 1 2 488.547 1.318 20 0 JDADLO CC(C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001509005820 1073473962 /nfs/dbraw/zinc/47/39/62/1073473962.db2.gz YWHAPVSTGNKQOM-CTNGQTDRSA-N 1 2 455.607 1.471 20 0 JDADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC(=O)NC(C)(C)C ZINC001509013437 1073476599 /nfs/dbraw/zinc/47/65/99/1073476599.db2.gz LLMWPAONWVFLNZ-FQEVSTJZSA-N 1 2 463.671 1.938 20 0 JDADLO CC(C)Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001509179013 1073519611 /nfs/dbraw/zinc/51/96/11/1073519611.db2.gz QJRYPLHZSQSMNU-IBGZPJMESA-N 1 2 472.638 1.577 20 0 JDADLO CC(C)Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001509179013 1073519627 /nfs/dbraw/zinc/51/96/27/1073519627.db2.gz QJRYPLHZSQSMNU-IBGZPJMESA-N 1 2 472.638 1.577 20 0 JDADLO CC(C)Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001509216221 1073537208 /nfs/dbraw/zinc/53/72/08/1073537208.db2.gz BLSBWXXQMABHNP-QHCPKHFHSA-N 1 2 483.661 1.760 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001546314154 1073562167 /nfs/dbraw/zinc/56/21/67/1073562167.db2.gz AWOQTVXXYDPYOA-RTBURBONSA-N 1 2 456.591 1.807 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001509404731 1073581867 /nfs/dbraw/zinc/58/18/67/1073581867.db2.gz MBVIMFUSNDHRBD-QFIPXVFZSA-N 1 2 469.652 1.674 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)CC1 ZINC001509428387 1073603291 /nfs/dbraw/zinc/60/32/91/1073603291.db2.gz MYDPROUJLVEMES-GOSISDBHSA-N 1 2 461.636 1.468 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001509428847 1073603540 /nfs/dbraw/zinc/60/35/40/1073603540.db2.gz NBYLYWWGHZRQPJ-MSOLQXFVSA-N 1 2 492.612 1.842 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001509428849 1073604573 /nfs/dbraw/zinc/60/45/73/1073604573.db2.gz NBYLYWWGHZRQPJ-QZTJIDSGSA-N 1 2 492.612 1.842 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001509431952 1073610053 /nfs/dbraw/zinc/61/00/53/1073610053.db2.gz JKOAYTJYVQHLSN-JOCHJYFZSA-N 1 2 481.594 1.324 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001509441982 1073622552 /nfs/dbraw/zinc/62/25/52/1073622552.db2.gz JKDWUTMPRLSPOX-KSZLIROESA-N 1 2 465.624 1.350 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001509441982 1073622565 /nfs/dbraw/zinc/62/25/65/1073622565.db2.gz JKDWUTMPRLSPOX-KSZLIROESA-N 1 2 465.624 1.350 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001509565101 1073686695 /nfs/dbraw/zinc/68/66/95/1073686695.db2.gz AWZDXFJSMWLJIC-RTBURBONSA-N 1 2 492.621 1.194 20 0 JDADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@]3(C)CN(C)C3=O)CC2)C1 ZINC001509581283 1073703455 /nfs/dbraw/zinc/70/34/55/1073703455.db2.gz SEHBSKQCNNOPPW-NLFFAJNJSA-N 1 2 475.682 1.576 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001509582751 1073707731 /nfs/dbraw/zinc/70/77/31/1073707731.db2.gz VUSIOUWGBGARTH-OAQYLSRUSA-N 1 2 484.022 1.591 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC[S@@](=O)C(C)(C)C ZINC001509586268 1073716167 /nfs/dbraw/zinc/71/61/67/1073716167.db2.gz BNBAAGAJYGHBOX-JGCGQSQUSA-N 1 2 470.684 1.758 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCc1cn[nH]c1 ZINC001509589850 1073719666 /nfs/dbraw/zinc/71/96/66/1073719666.db2.gz MFFGFSGTIMWKEG-SFHVURJKSA-N 1 2 472.619 1.953 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cnn(C)c1 ZINC001509591554 1073720370 /nfs/dbraw/zinc/72/03/70/1073720370.db2.gz SBTZIXBFKCQDLL-GOSISDBHSA-N 1 2 472.619 1.769 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001509595375 1073722403 /nfs/dbraw/zinc/72/24/03/1073722403.db2.gz SIHKTLDROASWKI-UHFFFAOYSA-N 1 2 457.579 1.262 20 0 JDADLO O=C(Nc1ccc(C(=O)NCCN2CCOCC2)cc1)c1cccn1CC[NH+]1CCOCC1 ZINC001546315880 1073723095 /nfs/dbraw/zinc/72/30/95/1073723095.db2.gz PTIMGZRMCXZVCM-UHFFFAOYSA-N 1 2 455.559 1.135 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CCn2cccn2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001509604546 1073728921 /nfs/dbraw/zinc/72/89/21/1073728921.db2.gz PGRDKSXTYGWUMZ-UHFFFAOYSA-N 1 2 453.551 1.029 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001509620162 1073743540 /nfs/dbraw/zinc/74/35/40/1073743540.db2.gz KFWPDOYJQWQTTR-OAHLLOKOSA-N 1 2 489.543 1.032 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001509620162 1073743564 /nfs/dbraw/zinc/74/35/64/1073743564.db2.gz KFWPDOYJQWQTTR-OAHLLOKOSA-N 1 2 489.543 1.032 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001509624464 1073747519 /nfs/dbraw/zinc/74/75/19/1073747519.db2.gz NYPNHNYBZQQVEH-HXUWFJFHSA-N 1 2 469.590 1.019 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001509624464 1073747524 /nfs/dbraw/zinc/74/75/24/1073747524.db2.gz NYPNHNYBZQQVEH-HXUWFJFHSA-N 1 2 469.590 1.019 20 0 JDADLO COC(=O)[C@]1(C)CCCN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164389222 718805402 /nfs/dbraw/zinc/80/54/02/718805402.db2.gz HLCKXIAOKKJIOY-QHCPKHFHSA-N 1 2 474.631 1.807 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5COC[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164388922 718818512 /nfs/dbraw/zinc/81/85/12/718818512.db2.gz RQAJBUCWUADDPL-MSOLQXFVSA-N 1 2 458.632 1.748 20 0 JDADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164640092 719275467 /nfs/dbraw/zinc/27/54/67/719275467.db2.gz NOQHKTWEDNMYIF-UHFFFAOYSA-N 1 2 460.362 1.720 20 0 JDADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164640092 719275474 /nfs/dbraw/zinc/27/54/74/719275474.db2.gz NOQHKTWEDNMYIF-UHFFFAOYSA-N 1 2 460.362 1.720 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc(OC)c(OC)c4OC)nn3)CC2)C1=O ZINC001164644657 719283063 /nfs/dbraw/zinc/28/30/63/719283063.db2.gz OOWWLABNOVIVIH-UHFFFAOYSA-N 1 2 485.585 1.929 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc(OC)c(OC)c4OC)nn3)CC2)C1=O ZINC001164644657 719283064 /nfs/dbraw/zinc/28/30/64/719283064.db2.gz OOWWLABNOVIVIH-UHFFFAOYSA-N 1 2 485.585 1.929 20 0 JDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)cc1C(=O)OCC ZINC001164644676 719285457 /nfs/dbraw/zinc/28/54/57/719285457.db2.gz PVTPAQQORMOXSG-UHFFFAOYSA-N 1 2 462.547 1.194 20 0 JDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)cc1C(=O)OCC ZINC001164644676 719285461 /nfs/dbraw/zinc/28/54/61/719285461.db2.gz PVTPAQQORMOXSG-UHFFFAOYSA-N 1 2 462.547 1.194 20 0 JDADLO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164651862 719296713 /nfs/dbraw/zinc/29/67/13/719296713.db2.gz MOQCADAWIMBWDK-WOJBJXKFSA-N 1 2 470.599 1.205 20 0 JDADLO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164677295 719550252 /nfs/dbraw/zinc/55/02/52/719550252.db2.gz CHHAOHGDYOHWFQ-FQEVSTJZSA-N 1 2 451.571 1.925 20 0 JDADLO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164677295 719550257 /nfs/dbraw/zinc/55/02/57/719550257.db2.gz CHHAOHGDYOHWFQ-FQEVSTJZSA-N 1 2 451.571 1.925 20 0 JDADLO O=S(=O)(c1ccccc1)n1ccc2c[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)nc21 ZINC001164680715 719583964 /nfs/dbraw/zinc/58/39/64/719583964.db2.gz PFNOEDJLDDWGRI-UHFFFAOYSA-N 1 2 480.554 1.112 20 0 JDADLO COCCNC(=O)[C@H]1Cn2nccc2CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1 ZINC001164695424 719827984 /nfs/dbraw/zinc/82/79/84/719827984.db2.gz CQDQQLPSFABYJG-HXUWFJFHSA-N 1 2 461.570 1.630 20 0 JDADLO COCCNC(=O)[C@H]1Cn2nccc2CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001164695424 719827985 /nfs/dbraw/zinc/82/79/85/719827985.db2.gz CQDQQLPSFABYJG-HXUWFJFHSA-N 1 2 461.570 1.630 20 0 JDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1C(=O)OCC ZINC001164706715 719847298 /nfs/dbraw/zinc/84/72/98/719847298.db2.gz YJHVUYJNWJHTSV-IVZQSRNASA-N 1 2 464.519 1.063 20 0 JDADLO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706951 719859525 /nfs/dbraw/zinc/85/95/25/719859525.db2.gz ZSVSOWYEXQMCDV-QKKBWIMNSA-N 1 2 480.953 1.276 20 0 JDADLO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706957 719859745 /nfs/dbraw/zinc/85/97/45/719859745.db2.gz ZSVSOWYEXQMCDV-SZNDQCEHSA-N 1 2 480.953 1.276 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001164704367 719863893 /nfs/dbraw/zinc/86/38/93/719863893.db2.gz LELZZWTUANNVFU-SBUREZEXSA-N 1 2 490.582 1.905 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(C(C)C)C2=O ZINC001164707819 719865527 /nfs/dbraw/zinc/86/55/27/719865527.db2.gz VSFHVRRXCNLJAK-LHSJRXKWSA-N 1 2 451.955 1.727 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(C(C)C)C2=O ZINC001164707820 719865687 /nfs/dbraw/zinc/86/56/87/719865687.db2.gz VSFHVRRXCNLJAK-QKKBWIMNSA-N 1 2 451.955 1.727 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703739 719868288 /nfs/dbraw/zinc/86/82/88/719868288.db2.gz KHPJXMWQWNXWRV-UWJYYQICSA-N 1 2 454.593 1.345 20 0 JDADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nn2)C1 ZINC001164700541 719869181 /nfs/dbraw/zinc/86/91/81/719869181.db2.gz DVYHQTJTTTWJFR-IECBHUPTSA-N 1 2 475.590 1.489 20 0 JDADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164704440 719870205 /nfs/dbraw/zinc/87/02/05/719870205.db2.gz MAYCCERKIXGZFD-NPPFBWRTSA-N 1 2 468.620 1.781 20 0 JDADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164704439 719870230 /nfs/dbraw/zinc/87/02/30/719870230.db2.gz MAYCCERKIXGZFD-NJNPRVFISA-N 1 2 468.620 1.781 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)N2CCOCC2)cc1Cl ZINC001164704406 719870297 /nfs/dbraw/zinc/87/02/97/719870297.db2.gz LUDQFCSNXZRBDF-JTSKRJEESA-N 1 2 466.966 1.440 20 0 JDADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164704442 719870429 /nfs/dbraw/zinc/87/04/29/719870429.db2.gz MAYCCERKIXGZFD-SVMVAKDDSA-N 1 2 468.620 1.781 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1S(=O)(=O)N1CCCCC1 ZINC001164706490 719873251 /nfs/dbraw/zinc/87/32/51/719873251.db2.gz PPNSMODITRUKMT-PGRDOPGGSA-N 1 2 466.604 1.489 20 0 JDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)cc1C(=O)OCC ZINC001164702759 719879973 /nfs/dbraw/zinc/87/99/73/719879973.db2.gz PTQOUQMNLOJXQI-MWTRTKDXSA-N 1 2 463.531 1.668 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)nnc(Cl)c1N1CCOCC1 ZINC001164696770 719880591 /nfs/dbraw/zinc/88/05/91/719880591.db2.gz BDQKNNTVGPBQIR-VBKZILBWSA-N 1 2 474.389 1.853 20 0 JDADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164704283 719903717 /nfs/dbraw/zinc/90/37/17/719903717.db2.gz RBDBDYDLPBOBQM-UHFFFAOYSA-N 1 2 460.966 1.904 20 0 JDADLO COC(=O)c1cc2c(OC)[nH]c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)cc-2n1 ZINC001164708688 719908152 /nfs/dbraw/zinc/90/81/52/719908152.db2.gz HDGMPDFRHADKBV-UHFFFAOYSA-N 1 2 467.530 1.042 20 0 JDADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708725 719910252 /nfs/dbraw/zinc/91/02/52/719910252.db2.gz JBMFPWYHZOWQAG-UHFFFAOYSA-N 1 2 453.547 1.215 20 0 JDADLO COCc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(-c2ccccc2)n1 ZINC001164704817 719933112 /nfs/dbraw/zinc/93/31/12/719933112.db2.gz SSASBSIDVSLREL-UHFFFAOYSA-N 1 2 461.570 1.974 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164708322 719934947 /nfs/dbraw/zinc/93/49/47/719934947.db2.gz IVHGUVPYKVNHHL-UHFFFAOYSA-N 1 2 457.542 1.499 20 0 JDADLO COC(=O)c1ccc2nc(Cl)c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2c1 ZINC001164704236 719935812 /nfs/dbraw/zinc/93/58/12/719935812.db2.gz QLTNVXQIXBEYNI-UHFFFAOYSA-N 1 2 483.960 1.754 20 0 JDADLO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164701564 719936530 /nfs/dbraw/zinc/93/65/30/719936530.db2.gz ABIHTSQQOCNCMT-UHFFFAOYSA-N 1 2 486.624 1.719 20 0 JDADLO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164701564 719936540 /nfs/dbraw/zinc/93/65/40/719936540.db2.gz ABIHTSQQOCNCMT-UHFFFAOYSA-N 1 2 486.624 1.719 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)nnc(Cl)c1N1CCOCC1)CC2 ZINC001164716431 720049364 /nfs/dbraw/zinc/04/93/64/720049364.db2.gz WDKHUGPBMPIIQK-UHFFFAOYSA-N 1 2 495.415 1.304 20 0 JDADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164717284 720215188 /nfs/dbraw/zinc/21/51/88/720215188.db2.gz HYWPFRZAXMJWIF-IBGZPJMESA-N 1 2 475.924 1.516 20 0 JDADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164717284 720215192 /nfs/dbraw/zinc/21/51/92/720215192.db2.gz HYWPFRZAXMJWIF-IBGZPJMESA-N 1 2 475.924 1.516 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C2)C1 ZINC001164716829 720222884 /nfs/dbraw/zinc/22/28/84/720222884.db2.gz FSQLHASDFAEIAR-HXUWFJFHSA-N 1 2 472.968 1.940 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C2)C1 ZINC001164716829 720222898 /nfs/dbraw/zinc/22/28/98/720222898.db2.gz FSQLHASDFAEIAR-HXUWFJFHSA-N 1 2 472.968 1.940 20 0 JDADLO CC[C@H]1C(=O)Nc2cnc(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164719800 720247470 /nfs/dbraw/zinc/24/74/70/720247470.db2.gz PBKAKSXPJWUATF-CPJSRVTESA-N 1 2 485.633 1.621 20 0 JDADLO CC[C@H]1C(=O)Nc2cnc(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164719800 720247475 /nfs/dbraw/zinc/24/74/75/720247475.db2.gz PBKAKSXPJWUATF-CPJSRVTESA-N 1 2 485.633 1.621 20 0 JDADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719033 720259094 /nfs/dbraw/zinc/25/90/94/720259094.db2.gz KLJLFCYTEWYGGT-IBGZPJMESA-N 1 2 460.362 1.625 20 0 JDADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719033 720259115 /nfs/dbraw/zinc/25/91/15/720259115.db2.gz KLJLFCYTEWYGGT-IBGZPJMESA-N 1 2 460.362 1.625 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C2)C1 ZINC001164720036 720262007 /nfs/dbraw/zinc/26/20/07/720262007.db2.gz QQIAXUWCVIXJDS-LJQANCHMSA-N 1 2 454.909 1.888 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C2)C1 ZINC001164720036 720262014 /nfs/dbraw/zinc/26/20/14/720262014.db2.gz QQIAXUWCVIXJDS-LJQANCHMSA-N 1 2 454.909 1.888 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C2)C1 ZINC001164720617 720275962 /nfs/dbraw/zinc/27/59/62/720275962.db2.gz BGGOPDGSXKBQAE-LJQANCHMSA-N 1 2 454.909 1.888 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C2)C1 ZINC001164720617 720275966 /nfs/dbraw/zinc/27/59/66/720275966.db2.gz BGGOPDGSXKBQAE-LJQANCHMSA-N 1 2 454.909 1.888 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@@](F)(COc3cncc(Cl)n3)C(F)F)C2)C1 ZINC001164720962 720293287 /nfs/dbraw/zinc/29/32/87/720293287.db2.gz GFYWUFQVUJJYOY-MOPGFXCFSA-N 1 2 465.904 1.600 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@@](F)(COc3cncc(Cl)n3)C(F)F)C2)C1 ZINC001164720962 720293300 /nfs/dbraw/zinc/29/33/00/720293300.db2.gz GFYWUFQVUJJYOY-MOPGFXCFSA-N 1 2 465.904 1.600 20 0 JDADLO CCOC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1C(=O)OCC ZINC001164720878 720310200 /nfs/dbraw/zinc/31/02/00/720310200.db2.gz BVCNZFOFSUIPDP-HSZRJFAPSA-N 1 2 462.547 1.100 20 0 JDADLO CCOC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1C(=O)OCC ZINC001164720878 720310209 /nfs/dbraw/zinc/31/02/09/720310209.db2.gz BVCNZFOFSUIPDP-HSZRJFAPSA-N 1 2 462.547 1.100 20 0 JDADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1C(=O)OC ZINC001164823112 720360743 /nfs/dbraw/zinc/36/07/43/720360743.db2.gz ARIGJMZFJCTSJA-UHFFFAOYSA-N 1 2 487.582 1.733 20 0 JDADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1C(=O)OC ZINC001164823112 720360751 /nfs/dbraw/zinc/36/07/51/720360751.db2.gz ARIGJMZFJCTSJA-UHFFFAOYSA-N 1 2 487.582 1.733 20 0 JDADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1OC ZINC001164823979 720361700 /nfs/dbraw/zinc/36/17/00/720361700.db2.gz FHTQXTUXBHUUBB-UHFFFAOYSA-N 1 2 459.572 1.955 20 0 JDADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1OC ZINC001164823979 720361705 /nfs/dbraw/zinc/36/17/05/720361705.db2.gz FHTQXTUXBHUUBB-UHFFFAOYSA-N 1 2 459.572 1.955 20 0 JDADLO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826610 720367074 /nfs/dbraw/zinc/36/70/74/720367074.db2.gz XOCRTLRYTHOMEC-UHFFFAOYSA-N 1 2 479.006 1.924 20 0 JDADLO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826610 720367075 /nfs/dbraw/zinc/36/70/75/720367075.db2.gz XOCRTLRYTHOMEC-UHFFFAOYSA-N 1 2 479.006 1.924 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5c(n4)N4CCC[C@@H]4C(=O)N5C)CC3)C2=O)cs1 ZINC001164819720 720370763 /nfs/dbraw/zinc/37/07/63/720370763.db2.gz HDQBORCVAAHJJN-GOSISDBHSA-N 1 2 496.641 1.500 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5c(n4)N4CCC[C@@H]4C(=O)N5C)CC3)C2=O)cs1 ZINC001164819720 720370769 /nfs/dbraw/zinc/37/07/69/720370769.db2.gz HDQBORCVAAHJJN-GOSISDBHSA-N 1 2 496.641 1.500 20 0 JDADLO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820040 720371860 /nfs/dbraw/zinc/37/18/60/720371860.db2.gz KRMOLDUSYLYRKD-UHFFFAOYSA-N 1 2 464.979 1.995 20 0 JDADLO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820040 720371867 /nfs/dbraw/zinc/37/18/67/720371867.db2.gz KRMOLDUSYLYRKD-UHFFFAOYSA-N 1 2 464.979 1.995 20 0 JDADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164820771 720376535 /nfs/dbraw/zinc/37/65/35/720376535.db2.gz ULMPEUZGRLBTPF-UHFFFAOYSA-N 1 2 458.588 1.660 20 0 JDADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164820771 720376539 /nfs/dbraw/zinc/37/65/39/720376539.db2.gz ULMPEUZGRLBTPF-UHFFFAOYSA-N 1 2 458.588 1.660 20 0 JDADLO CNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164820125 720379055 /nfs/dbraw/zinc/37/90/55/720379055.db2.gz LJYHXKKLBGXESS-UHFFFAOYSA-N 1 2 464.617 1.068 20 0 JDADLO CNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164820125 720379057 /nfs/dbraw/zinc/37/90/57/720379057.db2.gz LJYHXKKLBGXESS-UHFFFAOYSA-N 1 2 464.617 1.068 20 0 JDADLO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164826107 720385891 /nfs/dbraw/zinc/38/58/91/720385891.db2.gz WXSYLNSIAYUXQG-UHFFFAOYSA-N 1 2 478.022 1.958 20 0 JDADLO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164826107 720385900 /nfs/dbraw/zinc/38/59/00/720385900.db2.gz WXSYLNSIAYUXQG-UHFFFAOYSA-N 1 2 478.022 1.958 20 0 JDADLO CCOC(=O)c1cnc(SC)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164827036 720430543 /nfs/dbraw/zinc/43/05/43/720430543.db2.gz QOLDETMAWMQTQE-INIZCTEOSA-N 1 2 476.603 1.561 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C(=O)N1CCCCC1)C2 ZINC001164828157 720433687 /nfs/dbraw/zinc/43/36/87/720433687.db2.gz WNWFJVFBCVPWOZ-HXUWFJFHSA-N 1 2 468.602 1.894 20 0 JDADLO COC(=O)c1ccc2c(c1)ncnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822686 720435977 /nfs/dbraw/zinc/43/59/77/720435977.db2.gz GETHNXCCMKRPFC-SFHVURJKSA-N 1 2 466.542 1.603 20 0 JDADLO COC(=O)c1c[nH]c2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ccc12 ZINC001164824155 720441965 /nfs/dbraw/zinc/44/19/65/720441965.db2.gz MVTDCWCKKLIWDV-INIZCTEOSA-N 1 2 454.531 1.536 20 0 JDADLO COC(=O)c1cccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ncc21 ZINC001164824646 720442626 /nfs/dbraw/zinc/44/26/26/720442626.db2.gz OKEQPLIDWZWFPQ-QGZVFWFLSA-N 1 2 466.542 1.603 20 0 JDADLO COC(=O)Cc1c(Cl)ncnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164821919 720443842 /nfs/dbraw/zinc/44/38/42/720443842.db2.gz ARHYSQANWMPPFZ-HNNXBMFYSA-N 1 2 464.954 1.032 20 0 JDADLO CCOC(=O)c1cc2ccnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2[nH]1 ZINC001164822358 720447295 /nfs/dbraw/zinc/44/72/95/720447295.db2.gz DDUKNJSEFMQKSL-GOSISDBHSA-N 1 2 468.558 1.926 20 0 JDADLO CCOC(=O)Cc1nc(Cl)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826993 720448864 /nfs/dbraw/zinc/44/88/64/720448864.db2.gz XWWSPJSDMAGRQB-INIZCTEOSA-N 1 2 478.981 1.422 20 0 JDADLO COc1cc2ncc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2cc1OC ZINC001164825565 720448955 /nfs/dbraw/zinc/44/89/55/720448955.db2.gz SGFRLMIWSVNVBZ-QGZVFWFLSA-N 1 2 468.558 1.833 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)c(F)c3c1C(=O)NC3)C2 ZINC001164831166 720458073 /nfs/dbraw/zinc/45/80/73/720458073.db2.gz NBPGKEZAYVKWBN-CYBMUJFWSA-N 1 2 464.929 1.304 20 0 JDADLO COC(=O)c1cc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)[nH]1 ZINC001164828852 720460648 /nfs/dbraw/zinc/46/06/48/720460648.db2.gz BDYWGSLFXJNHJO-AWEZNQCLSA-N 1 2 489.964 1.584 20 0 JDADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(OC)c1 ZINC001164831780 720460689 /nfs/dbraw/zinc/46/06/89/720460689.db2.gz QFZCIFBGOAPGAV-SFHVURJKSA-N 1 2 459.547 1.453 20 0 JDADLO CCOC(=O)/C=C\c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164830705 720462873 /nfs/dbraw/zinc/46/28/73/720462873.db2.gz KYOMPVZMYNFESK-MWGFUINXSA-N 1 2 455.559 1.844 20 0 JDADLO CSc1nc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2s1 ZINC001164830796 720463530 /nfs/dbraw/zinc/46/35/30/720463530.db2.gz MALWXWHAEOZOOZ-CQSZACIVSA-N 1 2 461.617 1.994 20 0 JDADLO CON(C)C(=O)c1cc(C)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831259 720465046 /nfs/dbraw/zinc/46/50/46/720465046.db2.gz OAXHQOAFTPOOOS-SFHVURJKSA-N 1 2 458.563 1.210 20 0 JDADLO COC(=O)/C=C\c1cc2cc[nH]c2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164832640 720465365 /nfs/dbraw/zinc/46/53/65/720465365.db2.gz UQZNEZFHYMQDFP-LLHWWHOWSA-N 1 2 480.569 1.935 20 0 JDADLO CCOC(=O)N1CCc2nnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)cc2C1 ZINC001164833113 720471415 /nfs/dbraw/zinc/47/14/15/720471415.db2.gz YPDMSEICIGMJHD-IBGZPJMESA-N 1 2 485.589 1.177 20 0 JDADLO CCOC(=O)N1CCc2nnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)cc2C1 ZINC001164833121 720471464 /nfs/dbraw/zinc/47/14/64/720471464.db2.gz YPDMSEICIGMJHD-LJQANCHMSA-N 1 2 485.589 1.177 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)C2 ZINC001164831727 720472906 /nfs/dbraw/zinc/47/29/06/720472906.db2.gz PAPWELRRRZAKDG-IBGZPJMESA-N 1 2 497.600 1.098 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164830478 720483388 /nfs/dbraw/zinc/48/33/88/720483388.db2.gz BURGRIYIVJISHG-OAHLLOKOSA-N 1 2 457.909 1.704 20 0 JDADLO CCOC(=O)[C@@H]1CCc2nnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)cc2C1 ZINC001164834077 720483749 /nfs/dbraw/zinc/48/37/49/720483749.db2.gz RHVZATYEVHPMSG-QUCCMNQESA-N 1 2 484.601 1.331 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CCC5(CCCC(=O)N5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164838660 720732691 /nfs/dbraw/zinc/73/26/91/720732691.db2.gz VQLOLBDYZFIOEE-UHFFFAOYSA-N 1 2 499.685 1.914 20 0 JDADLO CS(=O)(=O)c1cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cnc1Cl ZINC001164861686 720896447 /nfs/dbraw/zinc/89/64/47/720896447.db2.gz YMENSIJTTFMCDV-UHFFFAOYSA-N 1 2 484.916 1.895 20 0 JDADLO O=C(c1cccnc1N1C[C@H]2OCCN(c3cnccn3)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164764585 721263099 /nfs/dbraw/zinc/26/30/99/721263099.db2.gz HMFIXDWOJVLIIG-DNQXCXABSA-N 1 2 485.592 1.924 20 0 JDADLO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccnc(N4CCN(C)CC4)n3)C2)C1 ZINC001164782293 721370881 /nfs/dbraw/zinc/37/08/81/721370881.db2.gz MLGAZEIATXKEQU-DEOSSOPVSA-N 1 2 455.607 1.952 20 0 JDADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccnc(N4CCN(C)CC4)n3)C2)C1 ZINC001164782293 721370885 /nfs/dbraw/zinc/37/08/85/721370885.db2.gz MLGAZEIATXKEQU-DEOSSOPVSA-N 1 2 455.607 1.952 20 0 JDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807255 721574248 /nfs/dbraw/zinc/57/42/48/721574248.db2.gz RYZOGZMSDRQMFC-WXTKVUTBSA-N 1 2 459.572 1.654 20 0 JDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807255 721574249 /nfs/dbraw/zinc/57/42/49/721574249.db2.gz RYZOGZMSDRQMFC-WXTKVUTBSA-N 1 2 459.572 1.654 20 0 JDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807254 721574648 /nfs/dbraw/zinc/57/46/48/721574648.db2.gz RYZOGZMSDRQMFC-UOSYLOGGSA-N 1 2 459.572 1.654 20 0 JDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807254 721574650 /nfs/dbraw/zinc/57/46/50/721574650.db2.gz RYZOGZMSDRQMFC-UOSYLOGGSA-N 1 2 459.572 1.654 20 0 JDADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2COC[C@H]21)c1cnccn1 ZINC001164798080 721597835 /nfs/dbraw/zinc/59/78/35/721597835.db2.gz IVDCBHUTHKWAQY-PMOQBDJRSA-N 1 2 457.538 1.459 20 0 JDADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2COC[C@H]21)c1cnccn1 ZINC001164798080 721597836 /nfs/dbraw/zinc/59/78/36/721597836.db2.gz IVDCBHUTHKWAQY-PMOQBDJRSA-N 1 2 457.538 1.459 20 0 JDADLO Cn1cc(C(=O)N[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)[C@@H]3CCCO[C@H]23)cn1 ZINC001165014525 721755182 /nfs/dbraw/zinc/75/51/82/721755182.db2.gz ZPLVBDARXQNCCJ-WXFUMESZSA-N 1 2 473.581 1.935 20 0 JDADLO Cn1cc(C(=O)N[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)[C@@H]3CCCO[C@H]23)cn1 ZINC001165014525 721755187 /nfs/dbraw/zinc/75/51/87/721755187.db2.gz ZPLVBDARXQNCCJ-WXFUMESZSA-N 1 2 473.581 1.935 20 0 JDADLO CCOC(=O)C1CCN(c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164914929 721788538 /nfs/dbraw/zinc/78/85/38/721788538.db2.gz IGMTYMLDCJIGDZ-SANMLTNESA-N 1 2 496.612 1.759 20 0 JDADLO CCOC(=O)C1CCN(c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164914929 721788541 /nfs/dbraw/zinc/78/85/41/721788541.db2.gz IGMTYMLDCJIGDZ-SANMLTNESA-N 1 2 496.612 1.759 20 0 JDADLO O=C1CCC(=O)N1Cc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914070 721789147 /nfs/dbraw/zinc/78/91/47/721789147.db2.gz AWTCGJATVIKGPP-DEOSSOPVSA-N 1 2 451.527 1.233 20 0 JDADLO O=C1CCC(=O)N1Cc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914070 721789151 /nfs/dbraw/zinc/78/91/51/721789151.db2.gz AWTCGJATVIKGPP-DEOSSOPVSA-N 1 2 451.527 1.233 20 0 JDADLO CC(C)N1Cc2c(nc(Cl)nc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)C1=O ZINC001164915158 721792589 /nfs/dbraw/zinc/79/25/89/721792589.db2.gz JBEDROCTUAHQFG-HSZRJFAPSA-N 1 2 472.977 1.997 20 0 JDADLO CC(C)N1Cc2c(nc(Cl)nc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)C1=O ZINC001164915158 721792591 /nfs/dbraw/zinc/79/25/91/721792591.db2.gz JBEDROCTUAHQFG-HSZRJFAPSA-N 1 2 472.977 1.997 20 0 JDADLO COc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(N2CCCCCC2)n1 ZINC001164914944 721793413 /nfs/dbraw/zinc/79/34/13/721793413.db2.gz RPVFTZLUTGYUEK-DEOSSOPVSA-N 1 2 469.590 1.763 20 0 JDADLO COc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(N2CCCCCC2)n1 ZINC001164914944 721793416 /nfs/dbraw/zinc/79/34/16/721793416.db2.gz RPVFTZLUTGYUEK-DEOSSOPVSA-N 1 2 469.590 1.763 20 0 JDADLO O=S(=O)(c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1)N1CCCCC1 ZINC001164913681 721793811 /nfs/dbraw/zinc/79/38/11/721793811.db2.gz FTSAZRCHIACATN-XMMPIXPASA-N 1 2 487.626 1.759 20 0 JDADLO O=S(=O)(c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1)N1CCCCC1 ZINC001164913681 721793816 /nfs/dbraw/zinc/79/38/16/721793816.db2.gz FTSAZRCHIACATN-XMMPIXPASA-N 1 2 487.626 1.759 20 0 JDADLO O=S(=O)(NC1CC1)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913872 721794569 /nfs/dbraw/zinc/79/45/69/721794569.db2.gz HRWBDEKWRVSBEF-JOCHJYFZSA-N 1 2 459.572 1.025 20 0 JDADLO O=S(=O)(NC1CC1)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913872 721794574 /nfs/dbraw/zinc/79/45/74/721794574.db2.gz HRWBDEKWRVSBEF-JOCHJYFZSA-N 1 2 459.572 1.025 20 0 JDADLO CC(C)CCNS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913405 721795324 /nfs/dbraw/zinc/79/53/24/721795324.db2.gz CUFKVHVGTHUOQK-XMMPIXPASA-N 1 2 489.642 1.909 20 0 JDADLO CC(C)CCNS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913405 721795328 /nfs/dbraw/zinc/79/53/28/721795328.db2.gz CUFKVHVGTHUOQK-XMMPIXPASA-N 1 2 489.642 1.909 20 0 JDADLO O=S(=O)(c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1)N1CCCC1 ZINC001164915743 721797592 /nfs/dbraw/zinc/79/75/92/721797592.db2.gz ZDWSRWHXZLLVSC-QHCPKHFHSA-N 1 2 473.599 1.369 20 0 JDADLO 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/nfs/dbraw/zinc/67/91/43/1069679143.db2.gz VSTSAGMWABNEMA-UHFFFAOYSA-N 1 2 470.622 1.493 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001501791305 1069709915 /nfs/dbraw/zinc/70/99/15/1069709915.db2.gz GIEHODQYSRWKHG-UXHICEINSA-N 1 2 463.627 1.477 20 0 JDADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c[nH+]1 ZINC001501830187 1069740506 /nfs/dbraw/zinc/74/05/06/1069740506.db2.gz JPSYRSAMVYNWDG-SFHVURJKSA-N 1 2 475.619 1.427 20 0 JDADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)C(=O)C2)c[nH+]1 ZINC001501829995 1069740822 /nfs/dbraw/zinc/74/08/22/1069740822.db2.gz FAGAWAGLNAYVCQ-UHFFFAOYSA-N 1 2 454.579 1.517 20 0 JDADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)NC)CC2)c[nH+]1 ZINC001501830095 1069740939 /nfs/dbraw/zinc/74/09/39/1069740939.db2.gz HDHZVISDWQGLHX-UHFFFAOYSA-N 1 2 469.594 1.265 20 0 JDADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c[nH+]1 ZINC001501830186 1069740997 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/nfs/dbraw/zinc/80/14/12/1069801412.db2.gz WFRVTOJMSLHUJT-IBGZPJMESA-N 1 2 451.527 1.568 20 0 JDADLO COc1cccc(Cn2cccc(NC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)c2=O)n1 ZINC001477213780 1069804759 /nfs/dbraw/zinc/80/47/59/1069804759.db2.gz ATMUDNVTYMCKCZ-HSZRJFAPSA-N 1 2 457.531 1.038 20 0 JDADLO COc1cccc(Cn2cccc(NC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)c2=O)n1 ZINC001477213780 1069804761 /nfs/dbraw/zinc/80/47/61/1069804761.db2.gz ATMUDNVTYMCKCZ-HSZRJFAPSA-N 1 2 457.531 1.038 20 0 JDADLO Cc1cncc([C@H]2CCCN2C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001477274877 1069809351 /nfs/dbraw/zinc/80/93/51/1069809351.db2.gz CITPMVPIBGCGGP-HXUWFJFHSA-N 1 2 458.588 1.784 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3nc4cc(S(N)(=O)=O)ccc4o3)C2)cc1 ZINC001477218486 1069805544 /nfs/dbraw/zinc/80/55/44/1069805544.db2.gz QJJTYXNTFLZWHB-INIZCTEOSA-N 1 2 459.528 1.806 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3nc4cc(S(N)(=O)=O)ccc4o3)C2)cc1 ZINC001477218486 1069805548 /nfs/dbraw/zinc/80/55/48/1069805548.db2.gz QJJTYXNTFLZWHB-INIZCTEOSA-N 1 2 459.528 1.806 20 0 JDADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001546215506 1069805891 /nfs/dbraw/zinc/80/58/91/1069805891.db2.gz JJNLSCWELAWLAH-UHFFFAOYSA-N 1 2 467.618 1.730 20 0 JDADLO CCOc1ccnc(N2CCCN(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)n1 ZINC001477240535 1069806354 /nfs/dbraw/zinc/80/63/54/1069806354.db2.gz CYAYYZDORLISDY-OAQYLSRUSA-N 1 2 454.575 1.998 20 0 JDADLO CCOc1ccnc(N2CCCN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)n1 ZINC001477240535 1069806355 /nfs/dbraw/zinc/80/63/55/1069806355.db2.gz CYAYYZDORLISDY-OAQYLSRUSA-N 1 2 454.575 1.998 20 0 JDADLO CC(C)CS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001477241902 1069806712 /nfs/dbraw/zinc/80/67/12/1069806712.db2.gz RHIAWNJXEXSWHO-OAQYLSRUSA-N 1 2 452.621 1.637 20 0 JDADLO CC(C)CS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001477241902 1069806714 /nfs/dbraw/zinc/80/67/14/1069806714.db2.gz RHIAWNJXEXSWHO-OAQYLSRUSA-N 1 2 452.621 1.637 20 0 JDADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001546215594 1069807729 /nfs/dbraw/zinc/80/77/29/1069807729.db2.gz MUIMOMFIPKWOCI-AREMUKBSSA-N 1 2 481.645 1.976 20 0 JDADLO O=C(NCCc1cc2ccccc2o1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477274974 1069809582 /nfs/dbraw/zinc/80/95/82/1069809582.db2.gz GCDJTTOFTMFDIG-UHFFFAOYSA-N 1 2 457.556 1.822 20 0 JDADLO CC(C)[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1(CO)CCC1 ZINC001477274884 1069809626 /nfs/dbraw/zinc/80/96/26/1069809626.db2.gz COJVDEGEWNGEOP-LJQANCHMSA-N 1 2 453.609 1.020 20 0 JDADLO CC[C@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)CC(F)(F)F ZINC001477275008 1069809680 /nfs/dbraw/zinc/80/96/80/1069809680.db2.gz GZNDBLZLUDITNY-HNNXBMFYSA-N 1 2 451.515 1.811 20 0 JDADLO COCCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@@H](C)C1 ZINC001477274937 1069809724 /nfs/dbraw/zinc/80/97/24/1069809724.db2.gz DTNROFWWCOJRJD-RTBURBONSA-N 1 2 453.609 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COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)CCS2(=O)=O ZINC001477469788 1069825269 /nfs/dbraw/zinc/82/52/69/1069825269.db2.gz BLNJVBUFRAUTKP-HVERKPMGSA-N 1 2 455.552 1.627 20 0 JDADLO CCN(C[C@@H]1CCCO1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001502115051 1069825432 /nfs/dbraw/zinc/82/54/32/1069825432.db2.gz BNKRFNCFNRBBFN-URXFXBBRSA-N 1 2 478.638 1.488 20 0 JDADLO COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)CCS2(=O)=O ZINC001477469790 1069825731 /nfs/dbraw/zinc/82/57/31/1069825731.db2.gz BLNJVBUFRAUTKP-PRXLTWQTSA-N 1 2 455.552 1.627 20 0 JDADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1CCn1cncn1 ZINC001502143817 1069828694 /nfs/dbraw/zinc/82/86/94/1069828694.db2.gz MRZQGDOCRPDVSZ-UHFFFAOYSA-N 1 2 466.594 1.846 20 0 JDADLO CCN(C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)C1)CC(F)(F)F ZINC001502150874 1069829366 /nfs/dbraw/zinc/82/93/66/1069829366.db2.gz HFQHIGOKCASKHM-OKZBNKHCSA-N 1 2 487.571 1.660 20 0 JDADLO CCN(C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)C1)CC(F)(F)F ZINC001502150874 1069829369 /nfs/dbraw/zinc/82/93/69/1069829369.db2.gz HFQHIGOKCASKHM-OKZBNKHCSA-N 1 2 487.571 1.660 20 0 JDADLO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)C1)CC(F)(F)F ZINC001502150872 1069829462 /nfs/dbraw/zinc/82/94/62/1069829462.db2.gz HFQHIGOKCASKHM-BZSNNMDCSA-N 1 2 487.571 1.660 20 0 JDADLO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)C1)CC(F)(F)F ZINC001502150872 1069829463 /nfs/dbraw/zinc/82/94/63/1069829463.db2.gz HFQHIGOKCASKHM-BZSNNMDCSA-N 1 2 487.571 1.660 20 0 JDADLO CC(C)(C)OC(=O)NCC1(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCOCC1 ZINC001477607366 1069836846 /nfs/dbraw/zinc/83/68/46/1069836846.db2.gz UXFIPESEONPOII-OAQYLSRUSA-N 1 2 458.625 1.567 20 0 JDADLO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC001477630582 1069839937 /nfs/dbraw/zinc/83/99/37/1069839937.db2.gz QKFUHXBQVZUWNK-YLJYHZDGSA-N 1 2 456.547 1.124 20 0 JDADLO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC001477630577 1069840131 /nfs/dbraw/zinc/84/01/31/1069840131.db2.gz QKFUHXBQVZUWNK-FXAWDEMLSA-N 1 2 456.547 1.124 20 0 JDADLO O=C(CCNC(=O)N1CCCC[C@@H]1COC(=O)NC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001477661157 1069841951 /nfs/dbraw/zinc/84/19/51/1069841951.db2.gz UBEMANASMUYHQM-LJQANCHMSA-N 1 2 458.563 1.573 20 0 JDADLO CCN(CCCn1c([C@H]2CCCO2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)S(C)(=O)=O ZINC001502183955 1069842853 /nfs/dbraw/zinc/84/28/53/1069842853.db2.gz IKXBJMPXHRIDFA-LJQANCHMSA-N 1 2 477.635 1.825 20 0 JDADLO CCN(CCCn1c(CC2CC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)S(C)(=O)=O ZINC001502184073 1069843181 /nfs/dbraw/zinc/84/31/81/1069843181.db2.gz MEGYUJYZEOVUFE-UHFFFAOYSA-N 1 2 461.636 1.926 20 0 JDADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001477704653 1069846130 /nfs/dbraw/zinc/84/61/30/1069846130.db2.gz BINVINQOAZERRF-AZUAARDMSA-N 1 2 450.605 1.866 20 0 JDADLO 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JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@@](O)(C(F)F)C3)cc2)CC1 ZINC001477756946 1069854357 /nfs/dbraw/zinc/85/43/57/1069854357.db2.gz XWRMHAFBOGMSGZ-QFIPXVFZSA-N 1 2 454.518 1.184 20 0 JDADLO COC(=O)C1=CC[C@H](NC(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC001477756501 1069854406 /nfs/dbraw/zinc/85/44/06/1069854406.db2.gz PVSFGSGPIUKMDU-NRFANRHFSA-N 1 2 458.559 1.333 20 0 JDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001477798205 1069858574 /nfs/dbraw/zinc/85/85/74/1069858574.db2.gz CAFTUKBTXCRRDK-IAGOWNOFSA-N 1 2 460.641 1.688 20 0 JDADLO Cc1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC[C@@H]2CCOC2)c1 ZINC001477798229 1069858848 /nfs/dbraw/zinc/85/88/48/1069858848.db2.gz DABUNVWLWHYYOA-GOSISDBHSA-N 1 2 453.605 1.719 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)CC1 ZINC001477800272 1069859347 /nfs/dbraw/zinc/85/93/47/1069859347.db2.gz VZHHGCVAMMZHQO-AWEZNQCLSA-N 1 2 456.638 1.300 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC001477800317 1069859925 /nfs/dbraw/zinc/85/99/25/1069859925.db2.gz WPZLVWRWYRANPD-RBBKRZOGSA-N 1 2 455.596 1.708 20 0 JDADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(OC)c2)n1CC[NH+]1CCSCC1 ZINC001502208358 1069861611 /nfs/dbraw/zinc/86/16/11/1069861611.db2.gz NQCXMYGQWQQYCQ-UHFFFAOYSA-N 1 2 453.634 1.873 20 0 JDADLO COCC[C@H](Cc1ccco1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477813891 1069862795 /nfs/dbraw/zinc/86/27/95/1069862795.db2.gz FYNAGMQSYWABGN-RTBURBONSA-N 1 2 458.563 1.822 20 0 JDADLO COCC[C@H](Cc1ccco1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477813891 1069862796 /nfs/dbraw/zinc/86/27/96/1069862796.db2.gz FYNAGMQSYWABGN-RTBURBONSA-N 1 2 458.563 1.822 20 0 JDADLO C[C@@H]1CCCN(C(=O)CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001477813777 1069862830 /nfs/dbraw/zinc/86/28/30/1069862830.db2.gz CSSBRXWNXPUUPD-MOPGFXCFSA-N 1 2 459.595 1.230 20 0 JDADLO C[C@@H]1CCCN(C(=O)CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001477813777 1069862832 /nfs/dbraw/zinc/86/28/32/1069862832.db2.gz CSSBRXWNXPUUPD-MOPGFXCFSA-N 1 2 459.595 1.230 20 0 JDADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001502209857 1069863256 /nfs/dbraw/zinc/86/32/56/1069863256.db2.gz RVUZTRDYGZBIMW-SFHVURJKSA-N 1 2 487.630 1.823 20 0 JDADLO CN(C)C(=O)C1(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCCC1 ZINC001477814352 1069863364 /nfs/dbraw/zinc/86/33/64/1069863364.db2.gz QEUJVVKHYWBZFG-GOSISDBHSA-N 1 2 459.595 1.230 20 0 JDADLO CN(C)C(=O)C1(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCCC1 ZINC001477814352 1069863366 /nfs/dbraw/zinc/86/33/66/1069863366.db2.gz QEUJVVKHYWBZFG-GOSISDBHSA-N 1 2 459.595 1.230 20 0 JDADLO CCc1nn(C)c(CC)c1CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477814622 1069863904 /nfs/dbraw/zinc/86/39/04/1069863904.db2.gz VWVBWHIRIUPZFE-KRWDZBQOSA-N 1 2 456.595 1.640 20 0 JDADLO CCc1nn(C)c(CC)c1CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477814622 1069863907 /nfs/dbraw/zinc/86/39/07/1069863907.db2.gz VWVBWHIRIUPZFE-KRWDZBQOSA-N 1 2 456.595 1.640 20 0 JDADLO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001502210186 1069863877 /nfs/dbraw/zinc/86/38/77/1069863877.db2.gz FECJWIROZWNGSR-JKSUJKDBSA-N 1 2 454.622 1.465 20 0 JDADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cnccn2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001502210243 1069863973 /nfs/dbraw/zinc/86/39/73/1069863973.db2.gz GRFREVSPZFIHOX-UHFFFAOYSA-N 1 2 491.662 1.889 20 0 JDADLO O=C(NC[C@H](CO)Cc1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477814644 1069863979 /nfs/dbraw/zinc/86/39/79/1069863979.db2.gz WNBOSGFBUMRWHE-RTWAWAEBSA-N 1 2 454.575 1.432 20 0 JDADLO O=C(NC[C@H](CO)Cc1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477814644 1069863984 /nfs/dbraw/zinc/86/39/84/1069863984.db2.gz WNBOSGFBUMRWHE-RTWAWAEBSA-N 1 2 454.575 1.432 20 0 JDADLO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001502210469 1069864513 /nfs/dbraw/zinc/86/45/13/1069864513.db2.gz ONNJNAXBCVQPEZ-IBGZPJMESA-N 1 2 489.646 1.780 20 0 JDADLO CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001502211291 1069866801 /nfs/dbraw/zinc/86/68/01/1069866801.db2.gz LTZSADAZQMHFJT-ROUUACIJSA-N 1 2 475.681 1.316 20 0 JDADLO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001502212166 1069868284 /nfs/dbraw/zinc/86/82/84/1069868284.db2.gz KOKBDSMBCJRNCE-UHFFFAOYSA-N 1 2 485.614 1.415 20 0 JDADLO C[C@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)CN1CC[NH+](C)CC1 ZINC001477885692 1069872211 /nfs/dbraw/zinc/87/22/11/1069872211.db2.gz NBHCEVDVTXKFSW-NXHRZFHOSA-N 1 2 463.545 1.128 20 0 JDADLO CC(C)[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1Cl ZINC001477888927 1069872624 /nfs/dbraw/zinc/87/26/24/1069872624.db2.gz GQOJIOXMFNNPGS-LJQANCHMSA-N 1 2 458.028 1.857 20 0 JDADLO 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/nfs/dbraw/zinc/17/17/21/1070171721.db2.gz LKWHASYAHJMEMI-DBVUQKKJSA-N 1 2 451.999 1.516 20 0 JDADLO C[C@H](NC(=O)N1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001479594246 1070169441 /nfs/dbraw/zinc/16/94/41/1070169441.db2.gz FEZVHAROXHFNPI-IPMKNSEASA-N 1 2 453.628 1.726 20 0 JDADLO C[C@H](NC(=O)N1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001479594246 1070169468 /nfs/dbraw/zinc/16/94/68/1070169468.db2.gz FEZVHAROXHFNPI-IPMKNSEASA-N 1 2 453.628 1.726 20 0 JDADLO Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)n1 ZINC001493068860 1070199302 /nfs/dbraw/zinc/19/93/02/1070199302.db2.gz MSNREAIGYDWZJN-UHFFFAOYSA-N 1 2 474.610 1.777 20 0 JDADLO Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)n1 ZINC001493068860 1070199315 /nfs/dbraw/zinc/19/93/15/1070199315.db2.gz MSNREAIGYDWZJN-UHFFFAOYSA-N 1 2 474.610 1.777 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCOCCS(C)(=O)=O)CC2)on1 ZINC001493152109 1070216740 /nfs/dbraw/zinc/21/67/40/1070216740.db2.gz AMFAEVURHNZWOQ-UHFFFAOYSA-N 1 2 454.597 1.255 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3ccc(F)cc3)CC2)on1 ZINC001493152824 1070217817 /nfs/dbraw/zinc/21/78/17/1070217817.db2.gz HCCCDBITQAFJMV-INIZCTEOSA-N 1 2 477.566 1.694 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3CCSC3)CC2)on1 ZINC001493153092 1070217913 /nfs/dbraw/zinc/21/79/13/1070217913.db2.gz IUSAPCJPCWWPNU-HOTGVXAUSA-N 1 2 469.637 1.260 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC3(C(N)=O)CCOCC3)CC2)on1 ZINC001493158640 1070221406 /nfs/dbraw/zinc/22/14/06/1070221406.db2.gz ZOIHWQVLIYHHET-UHFFFAOYSA-N 1 2 459.595 1.767 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCC(=O)N(C)C)CC2)on1 ZINC001493158149 1070222005 /nfs/dbraw/zinc/22/20/05/1070222005.db2.gz VRYQUKCLIYNOBJ-QHCPKHFHSA-N 1 2 475.594 1.416 20 0 JDADLO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001493168058 1070227460 /nfs/dbraw/zinc/22/74/60/1070227460.db2.gz AHYWLNTZUWAFQV-APWZRJJASA-N 1 2 486.598 1.911 20 0 JDADLO C[C@@H]1C[C@@H](C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001493243891 1070265311 /nfs/dbraw/zinc/26/53/11/1070265311.db2.gz IURRUGSBNLTKRB-QRVBRYPASA-N 1 2 484.667 1.204 20 0 JDADLO C[C@H]1C[C@@H](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001493280924 1070277451 /nfs/dbraw/zinc/27/74/51/1070277451.db2.gz HHOKUVAYXWDRAB-OALUTQOASA-N 1 2 457.579 1.899 20 0 JDADLO CCn1nc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2c[nH+]ccc2OC)c2ccccc2c1=O ZINC001502360879 1070304000 /nfs/dbraw/zinc/30/40/00/1070304000.db2.gz SXRXRPQZZRNRPS-HNNXBMFYSA-N 1 2 476.541 1.827 20 0 JDADLO CCn1nc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC[N@@H+]2CCOC[C@@H]2C)c2ccccc2c1=O ZINC001502361778 1070305373 /nfs/dbraw/zinc/30/53/73/1070305373.db2.gz PAFSYQSMIWECBM-ROUUACIJSA-N 1 2 496.616 1.214 20 0 JDADLO CCn1nc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC[N@H+]2CCOC[C@@H]2C)c2ccccc2c1=O ZINC001502361778 1070305392 /nfs/dbraw/zinc/30/53/92/1070305392.db2.gz PAFSYQSMIWECBM-ROUUACIJSA-N 1 2 496.616 1.214 20 0 JDADLO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)c2ccccc2c1=O ZINC001502361956 1070306246 /nfs/dbraw/zinc/30/62/46/1070306246.db2.gz ULNIHVMGKOAMLA-SFHVURJKSA-N 1 2 496.616 1.356 20 0 JDADLO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@H+]2CCOC[C@@H]2C)c2ccccc2c1=O ZINC001502361956 1070306271 /nfs/dbraw/zinc/30/62/71/1070306271.db2.gz ULNIHVMGKOAMLA-SFHVURJKSA-N 1 2 496.616 1.356 20 0 JDADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCSCCCO)CC1 ZINC001493646627 1070323633 /nfs/dbraw/zinc/32/36/33/1070323633.db2.gz CKZHJBLUDZRCJE-HXUWFJFHSA-N 1 2 487.674 1.979 20 0 JDADLO CCNC(=O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC001502414512 1070353231 /nfs/dbraw/zinc/35/32/31/1070353231.db2.gz NLYNUHZEVBAGGA-XLIONFOSSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC001502414512 1070353251 /nfs/dbraw/zinc/35/32/51/1070353251.db2.gz NLYNUHZEVBAGGA-XLIONFOSSA-N 1 2 474.631 1.509 20 0 JDADLO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)[C@H]1C ZINC001493978905 1070378088 /nfs/dbraw/zinc/37/80/88/1070378088.db2.gz ZBEILOTXSUPSBR-RYRKJORJSA-N 1 2 463.608 1.355 20 0 JDADLO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)[C@@H]1C ZINC001493978904 1070378249 /nfs/dbraw/zinc/37/82/49/1070378249.db2.gz ZBEILOTXSUPSBR-NUJGCVRESA-N 1 2 463.608 1.355 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001502432389 1070387804 /nfs/dbraw/zinc/38/78/04/1070387804.db2.gz HJWPKDPKNYMFBY-UHFFFAOYSA-N 1 2 492.628 1.645 20 0 JDADLO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C[C@H](C)O1 ZINC001494097798 1070393449 /nfs/dbraw/zinc/39/34/49/1070393449.db2.gz WTEMRZVUMFICGB-IRXDYDNUSA-N 1 2 477.635 1.636 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001502439012 1070409641 /nfs/dbraw/zinc/40/96/41/1070409641.db2.gz WFDYSHVGHNWHKT-UHFFFAOYSA-N 1 2 469.594 1.311 20 0 JDADLO C[C@@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1CCCNc1cccc[nH+]1 ZINC001494126729 1070413226 /nfs/dbraw/zinc/41/32/26/1070413226.db2.gz DABPMDZZKLYSCJ-MRXNPFEDSA-N 1 2 468.587 1.834 20 0 JDADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494126781 1070413600 /nfs/dbraw/zinc/41/36/00/1070413600.db2.gz DYWBVKKAMMQJOW-IAGOWNOFSA-N 1 2 473.603 1.811 20 0 JDADLO C[C@H]1CN(c2ccc(Cn3c(N(C)CC(=O)N4CCOCC4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001494136215 1070428191 /nfs/dbraw/zinc/42/81/91/1070428191.db2.gz KHRXUGHSTFZJTJ-SFHVURJKSA-N 1 2 471.606 1.539 20 0 JDADLO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494140339 1070435076 /nfs/dbraw/zinc/43/50/76/1070435076.db2.gz MCBDMDVWZYQGEG-CVEARBPZSA-N 1 2 474.528 1.781 20 0 JDADLO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494140339 1070435138 /nfs/dbraw/zinc/43/51/38/1070435138.db2.gz MCBDMDVWZYQGEG-CVEARBPZSA-N 1 2 474.528 1.781 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001494189999 1070461738 /nfs/dbraw/zinc/46/17/38/1070461738.db2.gz GMEHUJUVYPOLFP-HZPDHXFCSA-N 1 2 477.566 1.877 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001494203729 1070493531 /nfs/dbraw/zinc/49/35/31/1070493531.db2.gz YZNFJRKPXPPXEL-MJQMVNBJSA-N 1 2 498.675 1.637 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001494203729 1070493568 /nfs/dbraw/zinc/49/35/68/1070493568.db2.gz YZNFJRKPXPPXEL-MJQMVNBJSA-N 1 2 498.675 1.637 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001502468555 1070516265 /nfs/dbraw/zinc/51/62/65/1070516265.db2.gz BEXSIDPPVFUCGG-LJQANCHMSA-N 1 2 472.571 1.924 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C)n2C[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC001502466817 1070516379 /nfs/dbraw/zinc/51/63/79/1070516379.db2.gz XTDDWOUHWUXBFY-DLBZAZTESA-N 1 2 454.622 1.240 20 0 JDADLO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001494335456 1070545452 /nfs/dbraw/zinc/54/54/52/1070545452.db2.gz VERKGXUPFWYUNN-HCXYKTFWSA-N 1 2 464.611 1.852 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c[nH+]ccc2OC)C1 ZINC001502475081 1070548535 /nfs/dbraw/zinc/54/85/35/1070548535.db2.gz SDEKZTKBARLWGP-SJLPKXTDSA-N 1 2 450.565 1.490 20 0 JDADLO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC(C)(C)C1 ZINC001494365139 1070573928 /nfs/dbraw/zinc/57/39/28/1070573928.db2.gz QKBSZISTUPRNBB-MJGOQNOKSA-N 1 2 491.662 1.993 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001502480866 1070577115 /nfs/dbraw/zinc/57/71/15/1070577115.db2.gz XTBIZTBHFMPFDP-CTNGQTDRSA-N 1 2 476.647 1.416 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001502480866 1070577148 /nfs/dbraw/zinc/57/71/48/1070577148.db2.gz XTBIZTBHFMPFDP-CTNGQTDRSA-N 1 2 476.647 1.416 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNc2cccc[nH+]2)CC1 ZINC001502492018 1070604888 /nfs/dbraw/zinc/60/48/88/1070604888.db2.gz LMXURUBFDCCROT-MRXNPFEDSA-N 1 2 480.595 1.064 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502492118 1070605679 /nfs/dbraw/zinc/60/56/79/1070605679.db2.gz NLPDZFHZXIAVNB-ZWKOTPCHSA-N 1 2 454.572 1.001 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502492118 1070605696 /nfs/dbraw/zinc/60/56/96/1070605696.db2.gz NLPDZFHZXIAVNB-ZWKOTPCHSA-N 1 2 454.572 1.001 20 0 JDADLO CCOC(=O)N1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001502507388 1070627635 /nfs/dbraw/zinc/62/76/35/1070627635.db2.gz PGXIDXKRBGABLB-LJQANCHMSA-N 1 2 488.589 1.865 20 0 JDADLO CCOC(=O)N[C@@H](CC(C)C)Cn1c(C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001502508742 1070628526 /nfs/dbraw/zinc/62/85/26/1070628526.db2.gz DCHJHPIDAOWJCE-VXKWHMMOSA-N 1 2 479.670 1.979 20 0 JDADLO CCOC(=O)N[C@H](CC(C)C)Cn1c(C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001502508741 1070628583 /nfs/dbraw/zinc/62/85/83/1070628583.db2.gz DCHJHPIDAOWJCE-FGZHOGPDSA-N 1 2 479.670 1.979 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001494601553 1070649831 /nfs/dbraw/zinc/64/98/31/1070649831.db2.gz HJMOEFBTGNKVSM-KCZVDYSFSA-N 1 2 491.681 1.128 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001494601553 1070649835 /nfs/dbraw/zinc/64/98/35/1070649835.db2.gz HJMOEFBTGNKVSM-KCZVDYSFSA-N 1 2 491.681 1.128 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001494601673 1070650931 /nfs/dbraw/zinc/65/09/31/1070650931.db2.gz IZLRYKUEQPHONV-OALUTQOASA-N 1 2 491.637 1.567 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001494601673 1070650943 /nfs/dbraw/zinc/65/09/43/1070650943.db2.gz IZLRYKUEQPHONV-OALUTQOASA-N 1 2 491.637 1.567 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001494602305 1070653057 /nfs/dbraw/zinc/65/30/57/1070653057.db2.gz FFJUNZRKGANRDP-HKUYNNGSSA-N 1 2 491.637 1.691 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001494602305 1070653062 /nfs/dbraw/zinc/65/30/62/1070653062.db2.gz FFJUNZRKGANRDP-HKUYNNGSSA-N 1 2 491.637 1.691 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001494602269 1070653292 /nfs/dbraw/zinc/65/32/92/1070653292.db2.gz DRMPQMHBRZMVSH-OALUTQOASA-N 1 2 470.684 1.695 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001494602269 1070653297 /nfs/dbraw/zinc/65/32/97/1070653297.db2.gz DRMPQMHBRZMVSH-OALUTQOASA-N 1 2 470.684 1.695 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001494603494 1070656087 /nfs/dbraw/zinc/65/60/87/1070656087.db2.gz KAVVYINHLZGUAG-SFHVURJKSA-N 1 2 494.637 1.589 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001494603494 1070656095 /nfs/dbraw/zinc/65/60/95/1070656095.db2.gz KAVVYINHLZGUAG-SFHVURJKSA-N 1 2 494.637 1.589 20 0 JDADLO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001494603395 1070656122 /nfs/dbraw/zinc/65/61/22/1070656122.db2.gz JHQBUQUZIBQFAU-KZNAEPCWSA-N 1 2 477.610 1.396 20 0 JDADLO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001494603395 1070656131 /nfs/dbraw/zinc/65/61/31/1070656131.db2.gz JHQBUQUZIBQFAU-KZNAEPCWSA-N 1 2 477.610 1.396 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494603012 1070653976 /nfs/dbraw/zinc/65/39/76/1070653976.db2.gz QGWXECWBUBMTQR-QGZVFWFLSA-N 1 2 497.625 1.726 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494603012 1070653989 /nfs/dbraw/zinc/65/39/89/1070653989.db2.gz QGWXECWBUBMTQR-QGZVFWFLSA-N 1 2 497.625 1.726 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494603008 1070654212 /nfs/dbraw/zinc/65/42/12/1070654212.db2.gz QGWXECWBUBMTQR-KRWDZBQOSA-N 1 2 497.625 1.726 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494603008 1070654232 /nfs/dbraw/zinc/65/42/32/1070654232.db2.gz QGWXECWBUBMTQR-KRWDZBQOSA-N 1 2 497.625 1.726 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494602903 1070654524 /nfs/dbraw/zinc/65/45/24/1070654524.db2.gz PQMFASPPPCFUAD-JKSUJKDBSA-N 1 2 493.406 1.652 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494602903 1070654528 /nfs/dbraw/zinc/65/45/28/1070654528.db2.gz PQMFASPPPCFUAD-JKSUJKDBSA-N 1 2 493.406 1.652 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494604399 1070657067 /nfs/dbraw/zinc/65/70/67/1070657067.db2.gz NXNZQZYAPYNUBQ-INIZCTEOSA-N 1 2 478.544 1.339 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494604399 1070657086 /nfs/dbraw/zinc/65/70/86/1070657086.db2.gz NXNZQZYAPYNUBQ-INIZCTEOSA-N 1 2 478.544 1.339 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604613 1070657282 /nfs/dbraw/zinc/65/72/82/1070657282.db2.gz ZMYHLDNHQLBPKU-INIZCTEOSA-N 1 2 491.534 1.144 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604613 1070657314 /nfs/dbraw/zinc/65/73/14/1070657314.db2.gz ZMYHLDNHQLBPKU-INIZCTEOSA-N 1 2 491.534 1.144 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001494605074 1070658458 /nfs/dbraw/zinc/65/84/58/1070658458.db2.gz RLKDCJNIHKCSMA-OAHLLOKOSA-N 1 2 461.567 1.077 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001494605074 1070658478 /nfs/dbraw/zinc/65/84/78/1070658478.db2.gz RLKDCJNIHKCSMA-OAHLLOKOSA-N 1 2 461.567 1.077 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494605145 1070658876 /nfs/dbraw/zinc/65/88/76/1070658876.db2.gz SFKBYHGOHPEGED-HNNXBMFYSA-N 1 2 484.527 1.294 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494605145 1070658886 /nfs/dbraw/zinc/65/88/86/1070658886.db2.gz SFKBYHGOHPEGED-HNNXBMFYSA-N 1 2 484.527 1.294 20 0 JDADLO C[C@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001494646816 1070673404 /nfs/dbraw/zinc/67/34/04/1070673404.db2.gz WTMSWDRMWXHJRI-AUUYWEPGSA-N 1 2 469.384 1.344 20 0 JDADLO CCO[C@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCOC1 ZINC001502617967 1070692029 /nfs/dbraw/zinc/69/20/29/1070692029.db2.gz DCFRZRWBZSEZHF-NXMSCROESA-N 1 2 487.605 1.299 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2Cc2c[nH+]ccc2OC)CCOC1 ZINC001502622278 1070700874 /nfs/dbraw/zinc/70/08/74/1070700874.db2.gz NYOJJPBPBLUSFD-QFIPXVFZSA-N 1 2 494.618 1.242 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2cccc(C(=O)NC)c2)CCOC1 ZINC001502655428 1070729155 /nfs/dbraw/zinc/72/91/55/1070729155.db2.gz UTUBHPWSNRKFDF-XMMPIXPASA-N 1 2 472.590 1.107 20 0 JDADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001494731302 1070729855 /nfs/dbraw/zinc/72/98/55/1070729855.db2.gz CQBDVLNLHOEYTD-HUUJSLGLSA-N 1 2 464.611 1.218 20 0 JDADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001494731302 1070729872 /nfs/dbraw/zinc/72/98/72/1070729872.db2.gz CQBDVLNLHOEYTD-HUUJSLGLSA-N 1 2 464.611 1.218 20 0 JDADLO CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001494734398 1070732059 /nfs/dbraw/zinc/73/20/59/1070732059.db2.gz QTEUWYPWZWFIBF-UHFFFAOYSA-N 1 2 485.637 1.806 20 0 JDADLO CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001494734398 1070732077 /nfs/dbraw/zinc/73/20/77/1070732077.db2.gz QTEUWYPWZWFIBF-UHFFFAOYSA-N 1 2 485.637 1.806 20 0 JDADLO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001494756586 1070733151 /nfs/dbraw/zinc/73/31/51/1070733151.db2.gz GIXSSIOJAPNXIE-TYPHKJRUSA-N 1 2 494.706 1.995 20 0 JDADLO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001494756586 1070733162 /nfs/dbraw/zinc/73/31/62/1070733162.db2.gz GIXSSIOJAPNXIE-TYPHKJRUSA-N 1 2 494.706 1.995 20 0 JDADLO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001494756583 1070733287 /nfs/dbraw/zinc/73/32/87/1070733287.db2.gz GIXSSIOJAPNXIE-CEWLAPEOSA-N 1 2 494.706 1.995 20 0 JDADLO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001494756583 1070733298 /nfs/dbraw/zinc/73/32/98/1070733298.db2.gz GIXSSIOJAPNXIE-CEWLAPEOSA-N 1 2 494.706 1.995 20 0 JDADLO CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001494795543 1070747623 /nfs/dbraw/zinc/74/76/23/1070747623.db2.gz LFZGWSQTNYHYTN-NFBKMPQASA-N 1 2 460.627 1.071 20 0 JDADLO CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001494795547 1070748081 /nfs/dbraw/zinc/74/80/81/1070748081.db2.gz LFZGWSQTNYHYTN-OFNKIYASSA-N 1 2 460.627 1.071 20 0 JDADLO CC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001494798930 1070748490 /nfs/dbraw/zinc/74/84/90/1070748490.db2.gz XJFKYTIREQQHMU-DVECYGJZSA-N 1 2 455.607 1.942 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001494898598 1070767835 /nfs/dbraw/zinc/76/78/35/1070767835.db2.gz RKLFQHWTAJPGNU-WZOHSFFVSA-N 1 2 486.665 1.999 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001494936151 1070778526 /nfs/dbraw/zinc/77/85/26/1070778526.db2.gz VQDMFHIGFKNRGS-DFIYOIEZSA-N 1 2 489.665 1.331 20 0 JDADLO CC[C@H](C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001494957599 1070782818 /nfs/dbraw/zinc/78/28/18/1070782818.db2.gz JBTIGRFAXCGGON-RCCFBDPRSA-N 1 2 465.624 1.671 20 0 JDADLO CC[C@H](C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001494957589 1070782927 /nfs/dbraw/zinc/78/29/27/1070782927.db2.gz JBTIGRFAXCGGON-KSZLIROESA-N 1 2 465.624 1.671 20 0 JDADLO CCO[C@]1(c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CC(=O)NC(C)C)CCOC1 ZINC001502686103 1070794836 /nfs/dbraw/zinc/79/48/36/1070794836.db2.gz FVHXLBHTFKYMSX-HSZRJFAPSA-N 1 2 457.579 1.479 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001495448479 1070803995 /nfs/dbraw/zinc/80/39/95/1070803995.db2.gz ACKBYNMPDCAPBI-QGZVFWFLSA-N 1 2 454.641 1.422 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502692955 1070804790 /nfs/dbraw/zinc/80/47/90/1070804790.db2.gz LLCRTUOYRCVRNX-AUSIDOKSSA-N 1 2 457.579 1.544 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502694347 1070807468 /nfs/dbraw/zinc/80/74/68/1070807468.db2.gz ZXPQCBPRZQXUSH-DCLXLUIPSA-N 1 2 478.638 1.392 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502694347 1070807471 /nfs/dbraw/zinc/80/74/71/1070807471.db2.gz ZXPQCBPRZQXUSH-DCLXLUIPSA-N 1 2 478.638 1.392 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502694236 1070807632 /nfs/dbraw/zinc/80/76/32/1070807632.db2.gz YVLUXKCNMOJJGA-UMEGOILYSA-N 1 2 492.665 1.782 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502694236 1070807633 /nfs/dbraw/zinc/80/76/33/1070807633.db2.gz YVLUXKCNMOJJGA-UMEGOILYSA-N 1 2 492.665 1.782 20 0 JDADLO CC[C@H](C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001495586535 1070808104 /nfs/dbraw/zinc/80/81/04/1070808104.db2.gz CHNHVUKDKUPGPK-DOTOQJQBSA-N 1 2 452.567 1.833 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502695333 1070808497 /nfs/dbraw/zinc/80/84/97/1070808497.db2.gz MFFIHOODBKDQPY-BWKNWUBXSA-N 1 2 492.665 1.878 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502699882 1070810438 /nfs/dbraw/zinc/81/04/38/1070810438.db2.gz MEOJHCDSOACTOT-CVDCTZTESA-N 1 2 492.646 1.843 20 0 JDADLO COc1cc(-c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc(OC)c1OC ZINC001504076287 1070820494 /nfs/dbraw/zinc/82/04/94/1070820494.db2.gz DRYPZLCRWWBMOV-UHFFFAOYSA-N 1 2 481.557 1.759 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001495803951 1070822473 /nfs/dbraw/zinc/82/24/73/1070822473.db2.gz MRWZLLUVKQXNCR-ICSRJNTNSA-N 1 2 472.638 1.759 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2C[C@@H](C)OC)CCOC1 ZINC001502714972 1070823518 /nfs/dbraw/zinc/82/35/18/1070823518.db2.gz SMUAZMNAAJSIMW-DNVFCKCGSA-N 1 2 464.611 1.098 20 0 JDADLO COc1cc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOCC2)cc(OC)c1OC ZINC001504086859 1070826216 /nfs/dbraw/zinc/82/62/16/1070826216.db2.gz PESJNOIBUIMYHT-UHFFFAOYSA-N 1 2 488.589 1.357 20 0 JDADLO COc1cc(Cn2c(C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)ccc1OCCO ZINC001504089104 1070827257 /nfs/dbraw/zinc/82/72/57/1070827257.db2.gz SUOKPNOUZJZDEO-JOCHJYFZSA-N 1 2 488.633 1.246 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 ZINC001502721308 1070828763 /nfs/dbraw/zinc/82/87/63/1070828763.db2.gz FLNNPZLGPYPBQS-DYESRHJHSA-N 1 2 455.625 1.285 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 ZINC001502721308 1070828775 /nfs/dbraw/zinc/82/87/75/1070828775.db2.gz FLNNPZLGPYPBQS-DYESRHJHSA-N 1 2 455.625 1.285 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 ZINC001502721312 1070828863 /nfs/dbraw/zinc/82/88/63/1070828863.db2.gz FLNNPZLGPYPBQS-LAUBAEHRSA-N 1 2 455.625 1.285 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 ZINC001502721312 1070828865 /nfs/dbraw/zinc/82/88/65/1070828865.db2.gz FLNNPZLGPYPBQS-LAUBAEHRSA-N 1 2 455.625 1.285 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 ZINC001502721317 1070829136 /nfs/dbraw/zinc/82/91/36/1070829136.db2.gz FLNNPZLGPYPBQS-UWJYYQICSA-N 1 2 455.625 1.285 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 ZINC001502721317 1070829137 /nfs/dbraw/zinc/82/91/37/1070829137.db2.gz FLNNPZLGPYPBQS-UWJYYQICSA-N 1 2 455.625 1.285 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502721595 1070829512 /nfs/dbraw/zinc/82/95/12/1070829512.db2.gz HNZLECIRYNTFBD-WAOWUJCRSA-N 1 2 490.571 1.724 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502721595 1070829513 /nfs/dbraw/zinc/82/95/13/1070829513.db2.gz HNZLECIRYNTFBD-WAOWUJCRSA-N 1 2 490.571 1.724 20 0 JDADLO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001496165354 1070832898 /nfs/dbraw/zinc/83/28/98/1070832898.db2.gz OPAYFJUACBSUSU-VVLHAWIVSA-N 1 2 463.670 1.168 20 0 JDADLO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001496165354 1070832901 /nfs/dbraw/zinc/83/29/01/1070832901.db2.gz OPAYFJUACBSUSU-VVLHAWIVSA-N 1 2 463.670 1.168 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+](Cc4cc(C)no4)CC3)n2CCC(=O)NC(C)C)CCOC1 ZINC001502726273 1070836355 /nfs/dbraw/zinc/83/63/55/1070836355.db2.gz SADSDNVOHWPGTG-HSZRJFAPSA-N 1 2 475.594 1.464 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[NH+](Cc4cc(C)no4)CC3)n2CCC(=O)NC(C)C)CCOC1 ZINC001502726274 1070836370 /nfs/dbraw/zinc/83/63/70/1070836370.db2.gz SADSDNVOHWPGTG-QHCPKHFHSA-N 1 2 475.594 1.464 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CCS(C)(=O)=O)CCOC1 ZINC001502726299 1070836428 /nfs/dbraw/zinc/83/64/28/1070836428.db2.gz SKENBQQHDKYXJL-AUSIDOKSSA-N 1 2 477.631 1.686 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCS(C)(=O)=O)CCOC1 ZINC001502726299 1070836429 /nfs/dbraw/zinc/83/64/29/1070836429.db2.gz SKENBQQHDKYXJL-AUSIDOKSSA-N 1 2 477.631 1.686 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCC(=O)NC)CCOC1 ZINC001502726319 1070836773 /nfs/dbraw/zinc/83/67/73/1070836773.db2.gz SVNHJMOFOXQHSN-HSZRJFAPSA-N 1 2 460.554 1.528 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001496259113 1070841914 /nfs/dbraw/zinc/84/19/14/1070841914.db2.gz SFKARAQIMIGLTG-PCCBWWKXSA-N 1 2 489.665 1.610 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001496271536 1070843845 /nfs/dbraw/zinc/84/38/45/1070843845.db2.gz RXDDDNWEIXIROW-DLBZAZTESA-N 1 2 452.625 1.160 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001496273853 1070843866 /nfs/dbraw/zinc/84/38/66/1070843866.db2.gz XGUKJBUTDVOBBJ-QZTJIDSGSA-N 1 2 454.641 1.263 20 0 JDADLO COc1cc(OC)cc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCC(C)(C)O)c1 ZINC001504129471 1070847207 /nfs/dbraw/zinc/84/72/07/1070847207.db2.gz HFKKWZGOCBEFMI-UHFFFAOYSA-N 1 2 486.617 1.868 20 0 JDADLO COc1ccc(Br)c(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2cnnn2C)c1 ZINC001504136890 1070852764 /nfs/dbraw/zinc/85/27/64/1070852764.db2.gz SJNDDKIMBHUJPI-UHFFFAOYSA-N 1 2 491.394 1.661 20 0 JDADLO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)n1 ZINC001502774511 1070854377 /nfs/dbraw/zinc/85/43/77/1070854377.db2.gz LJCSNIUIXFYAGW-LJQANCHMSA-N 1 2 458.611 1.946 20 0 JDADLO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001496651466 1070855651 /nfs/dbraw/zinc/85/56/51/1070855651.db2.gz RSKCMMSBKFWKNV-ICSRJNTNSA-N 1 2 477.635 1.495 20 0 JDADLO CCOc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CC(C)(C)O)cc1OC ZINC001502813102 1070861751 /nfs/dbraw/zinc/86/17/51/1070861751.db2.gz VOWRLKFNXBIOAQ-QGZVFWFLSA-N 1 2 486.617 1.912 20 0 JDADLO CCOc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CC(C)(C)O)cc1OC ZINC001502813101 1070861772 /nfs/dbraw/zinc/86/17/72/1070861772.db2.gz VOWRLKFNXBIOAQ-KRWDZBQOSA-N 1 2 486.617 1.912 20 0 JDADLO COc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2CCN(C(C)=O)CC2)cc1OC ZINC001504167815 1070862217 /nfs/dbraw/zinc/86/22/17/1070862217.db2.gz FYGNEVRGXKWVBT-UHFFFAOYSA-N 1 2 486.617 1.989 20 0 JDADLO CCOc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC001502833737 1070865473 /nfs/dbraw/zinc/86/54/73/1070865473.db2.gz PEMBIIBICJETRM-MJGOQNOKSA-N 1 2 472.590 1.994 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@@H]1C)CC2 ZINC001502872628 1070871825 /nfs/dbraw/zinc/87/18/25/1070871825.db2.gz MLPFKHDCHWLQSL-ZWKOTPCHSA-N 1 2 492.646 1.570 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@@H]1C)CC2 ZINC001502872628 1070871826 /nfs/dbraw/zinc/87/18/26/1070871826.db2.gz MLPFKHDCHWLQSL-ZWKOTPCHSA-N 1 2 492.646 1.570 20 0 JDADLO CCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC001502881068 1070873307 /nfs/dbraw/zinc/87/33/07/1070873307.db2.gz QLWYYQMDGUTOCH-HXUWFJFHSA-N 1 2 497.644 1.996 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001504198671 1070876277 /nfs/dbraw/zinc/87/62/77/1070876277.db2.gz BJVFVTSIIMIRCQ-HXUWFJFHSA-N 1 2 497.644 1.859 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001504198993 1070877208 /nfs/dbraw/zinc/87/72/08/1070877208.db2.gz FOMYIIFUQOCJSR-GOSISDBHSA-N 1 2 483.617 1.611 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2CC(=O)NC(C)C)cc1 ZINC001504199863 1070878475 /nfs/dbraw/zinc/87/84/75/1070878475.db2.gz JXHCCBIEFQYNPA-IBGZPJMESA-N 1 2 483.617 1.611 20 0 JDADLO CCOc1ccccc1OCc1nnc(N2CCN(C(C)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001502916193 1070881614 /nfs/dbraw/zinc/88/16/14/1070881614.db2.gz RMSAYNFVSXRIEU-UHFFFAOYSA-N 1 2 499.616 1.088 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001504201638 1070881942 /nfs/dbraw/zinc/88/19/42/1070881942.db2.gz USLOUUXENIUIRU-UHFFFAOYSA-N 1 2 497.644 1.860 20 0 JDADLO CCOc1ccnc(N2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)n1 ZINC001502925451 1070886785 /nfs/dbraw/zinc/88/67/85/1070886785.db2.gz TUWHOLWLILVIMX-LJQANCHMSA-N 1 2 458.611 1.713 20 0 JDADLO COc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001504213630 1070888236 /nfs/dbraw/zinc/88/82/36/1070888236.db2.gz VVNJUOVDDBMCEQ-WFXMLNOXSA-N 1 2 492.646 1.959 20 0 JDADLO CCOC1CC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC=C(C)C2)([NH+]2CCOCC2)C1 ZINC001502936953 1070892988 /nfs/dbraw/zinc/89/29/88/1070892988.db2.gz ARMYSHHZOZWPNZ-FLPIEVNYSA-N 1 2 482.651 1.315 20 0 JDADLO CCOC1CC(Cn2c([C@@H]3CCOC3)nnc2N(C)CC(=O)NC(C)(C)C)([NH+]2CCOCC2)C1 ZINC001502937837 1070893742 /nfs/dbraw/zinc/89/37/42/1070893742.db2.gz GDRSYIQZJHTJCQ-JNDNBTNTSA-N 1 2 478.638 1.403 20 0 JDADLO CCOC1CC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC(F)(F)F)([NH+]2CCOCC2)C1 ZINC001502938243 1070894771 /nfs/dbraw/zinc/89/47/71/1070894771.db2.gz KMKODFIUBWZCCC-SYJJWHGVSA-N 1 2 498.572 1.157 20 0 JDADLO CCOC1CC(Cn2c(N3C[C@@H](CC(=O)OC)[C@H](O)C3)nnc2C(C)(C)C)([NH+]2CCOCC2)C1 ZINC001502939389 1070895364 /nfs/dbraw/zinc/89/53/64/1070895364.db2.gz NOINRBKRYGHUCL-HOVNMXBBSA-N 1 2 479.622 1.206 20 0 JDADLO COc1ccc(CCn2c(-c3cnccn3)nnc2N(C)CC[NH+]2CCOCC2)c(OC)c1 ZINC001504240280 1070909056 /nfs/dbraw/zinc/90/90/56/1070909056.db2.gz FTOCFORUFALGCU-UHFFFAOYSA-N 1 2 453.547 1.763 20 0 JDADLO CCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502974712 1070926446 /nfs/dbraw/zinc/92/64/46/1070926446.db2.gz ATOXTBJQBMZSCU-DOTOQJQBSA-N 1 2 451.597 1.403 20 0 JDADLO CCOCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001502987344 1070939833 /nfs/dbraw/zinc/93/98/33/1070939833.db2.gz IFHIQNJFSWPSMP-KRWDZBQOSA-N 1 2 456.595 1.587 20 0 JDADLO CCOCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001502990035 1070943261 /nfs/dbraw/zinc/94/32/61/1070943261.db2.gz WXYMFDFSFXHIQT-KRWDZBQOSA-N 1 2 458.611 1.530 20 0 JDADLO CCOCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001502992605 1070947405 /nfs/dbraw/zinc/94/74/05/1070947405.db2.gz STQLMCGNRIONBL-PMACEKPBSA-N 1 2 462.639 1.978 20 0 JDADLO CCOCc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001503000012 1070958904 /nfs/dbraw/zinc/95/89/04/1070958904.db2.gz DZHKOPKIRWNMRD-KRWDZBQOSA-N 1 2 478.619 1.524 20 0 JDADLO CCOCc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001503010142 1070966751 /nfs/dbraw/zinc/96/67/51/1070966751.db2.gz VXEUIACESITUOC-QFIPXVFZSA-N 1 2 486.617 1.492 20 0 JDADLO CCOCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001503027582 1070974582 /nfs/dbraw/zinc/97/45/82/1070974582.db2.gz XJOUNGONEUNHKQ-HXUWFJFHSA-N 1 2 455.607 1.299 20 0 JDADLO COc1ccc(Cn2c(C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)c(OC)n1 ZINC001504267251 1070980530 /nfs/dbraw/zinc/98/05/30/1070980530.db2.gz JXGYGICKNKCHRP-FQEVSTJZSA-N 1 2 459.595 1.278 20 0 JDADLO CCOCc1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503035478 1070999431 /nfs/dbraw/zinc/99/94/31/1070999431.db2.gz AGJRLCKFHIVXHA-IBGZPJMESA-N 1 2 450.628 1.615 20 0 JDADLO CCOCc1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503035478 1070999455 /nfs/dbraw/zinc/99/94/55/1070999455.db2.gz AGJRLCKFHIVXHA-IBGZPJMESA-N 1 2 450.628 1.615 20 0 JDADLO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503039681 1071001720 /nfs/dbraw/zinc/00/17/20/1071001720.db2.gz UYIRVGQTFYEKAP-QUCCMNQESA-N 1 2 488.633 1.911 20 0 JDADLO CCOCc1nnc(N2CCC(C(=O)NC)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001503043085 1071004813 /nfs/dbraw/zinc/00/48/13/1071004813.db2.gz ZHDNSARTPBRFTK-KRWDZBQOSA-N 1 2 457.579 1.445 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4ccccn4)n3CC(=O)N(C)C)CC2)cc1F ZINC001504285468 1071011593 /nfs/dbraw/zinc/01/15/93/1071011593.db2.gz FSSBWGXFXQCOQT-UHFFFAOYSA-N 1 2 453.522 1.898 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CCO[C@@H]3C)CC2)cc1F ZINC001504285737 1071012245 /nfs/dbraw/zinc/01/22/45/1071012245.db2.gz KIHGGMVCNSAVHT-MZNJEOGPSA-N 1 2 490.580 1.426 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3ccco3)CC2)cc1F ZINC001504285648 1071012348 /nfs/dbraw/zinc/01/23/48/1071012348.db2.gz IUPHMAMGRGYCES-INIZCTEOSA-N 1 2 492.577 2.000 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(C)CN(C)C3=O)CC2)cc1F ZINC001504286551 1071013017 /nfs/dbraw/zinc/01/30/17/1071013017.db2.gz QGGCUDZKQDNNJO-XMMPIXPASA-N 1 2 487.580 1.365 20 0 JDADLO CCOCc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503058666 1071013789 /nfs/dbraw/zinc/01/37/89/1071013789.db2.gz SKXVACQBVGOUHA-ROUUACIJSA-N 1 2 452.600 1.886 20 0 JDADLO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503062334 1071017543 /nfs/dbraw/zinc/01/75/43/1071017543.db2.gz QXYJHGCNUXGAFN-RBUKOAKNSA-N 1 2 465.643 1.944 20 0 JDADLO COc1ccc(Cl)cc1Cn1c(CN2CCCC2=O)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504291184 1071017900 /nfs/dbraw/zinc/01/79/00/1071017900.db2.gz KYXGFVNYHBJVEF-UHFFFAOYSA-N 1 2 462.982 1.879 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2COCCO2)CC1 ZINC001504292644 1071020345 /nfs/dbraw/zinc/02/03/45/1071020345.db2.gz KUGRIPXXGIYLCP-LJQANCHMSA-N 1 2 476.553 1.302 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC(=O)N(C)C)CC1 ZINC001504291923 1071018937 /nfs/dbraw/zinc/01/89/37/1071018937.db2.gz DAZWOCCRRYGODB-UHFFFAOYSA-N 1 2 467.549 1.822 20 0 JDADLO CCOCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503065789 1071021363 /nfs/dbraw/zinc/02/13/63/1071021363.db2.gz JLZBPTMNRXVRPB-UHFFFAOYSA-N 1 2 464.592 1.108 20 0 JDADLO CCOCc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503068097 1071024266 /nfs/dbraw/zinc/02/42/66/1071024266.db2.gz YQSMFCJBPFKMJT-JOCHJYFZSA-N 1 2 478.638 1.533 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](C(=O)NC)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001503075029 1071027005 /nfs/dbraw/zinc/02/70/05/1071027005.db2.gz BROUUQKGMBTJNV-IEBWSBKVSA-N 1 2 457.579 1.445 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](C(=O)NC)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001503075027 1071027090 /nfs/dbraw/zinc/02/70/90/1071027090.db2.gz BROUUQKGMBTJNV-HKUYNNGSSA-N 1 2 457.579 1.445 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503084161 1071032481 /nfs/dbraw/zinc/03/24/81/1071032481.db2.gz PNOXADMCJWVKPI-HXUWFJFHSA-N 1 2 459.643 1.890 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503084161 1071032493 /nfs/dbraw/zinc/03/24/93/1071032493.db2.gz PNOXADMCJWVKPI-HXUWFJFHSA-N 1 2 459.643 1.890 20 0 JDADLO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001504305635 1071033653 /nfs/dbraw/zinc/03/36/53/1071033653.db2.gz JCPQOKKBZMKSHT-ZWKOTPCHSA-N 1 2 458.563 1.253 20 0 JDADLO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001504305635 1071033665 /nfs/dbraw/zinc/03/36/65/1071033665.db2.gz JCPQOKKBZMKSHT-ZWKOTPCHSA-N 1 2 458.563 1.253 20 0 JDADLO COc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001504305994 1071033970 /nfs/dbraw/zinc/03/39/70/1071033970.db2.gz HSGZQODGUWWNCB-HXOBKFHXSA-N 1 2 458.563 1.288 20 0 JDADLO COc1ccc(OCc2nnc(N3C[C@H](OC)C(C)(C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504307080 1071035616 /nfs/dbraw/zinc/03/56/16/1071035616.db2.gz OZVNIVYYGMESOR-QFIPXVFZSA-N 1 2 486.617 1.891 20 0 JDADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001503095602 1071038982 /nfs/dbraw/zinc/03/89/82/1071038982.db2.gz GROLHURNEVNKGO-OAQYLSRUSA-N 1 2 492.646 1.360 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503097743 1071040808 /nfs/dbraw/zinc/04/08/08/1071040808.db2.gz HTODZAYNSCWLMH-SFHVURJKSA-N 1 2 460.554 1.637 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503097743 1071040810 /nfs/dbraw/zinc/04/08/10/1071040810.db2.gz HTODZAYNSCWLMH-SFHVURJKSA-N 1 2 460.554 1.637 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503100438 1071050299 /nfs/dbraw/zinc/05/02/99/1071050299.db2.gz DMZRSRMHKPHIIU-ROUUACIJSA-N 1 2 452.600 1.981 20 0 JDADLO CCOCc1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001503101417 1071052207 /nfs/dbraw/zinc/05/22/07/1071052207.db2.gz VOTFSOOJEFGYEG-QFIPXVFZSA-N 1 2 456.591 1.865 20 0 JDADLO CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503105029 1071056623 /nfs/dbraw/zinc/05/66/23/1071056623.db2.gz VHJKCDPKRBWMNQ-UHFFFAOYSA-N 1 2 464.574 1.749 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(=O)Nc1ccc(F)cc1 ZINC001503106525 1071057684 /nfs/dbraw/zinc/05/76/84/1071057684.db2.gz AUDCFSDHULTEDY-GOSISDBHSA-N 1 2 487.580 1.725 20 0 JDADLO CCOCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCNC(=O)c1cccc(OC)c1 ZINC001503106591 1071058258 /nfs/dbraw/zinc/05/82/58/1071058258.db2.gz ZNFRYHDHKGEFQJ-UHFFFAOYSA-N 1 2 465.558 1.975 20 0 JDADLO CCOCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001503104036 1071055425 /nfs/dbraw/zinc/05/54/25/1071055425.db2.gz UMUQHHABWRZJIO-FQEVSTJZSA-N 1 2 455.607 1.299 20 0 JDADLO COc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001504332956 1071064223 /nfs/dbraw/zinc/06/42/23/1071064223.db2.gz ZGPKVICYQYPFMT-QZTJIDSGSA-N 1 2 465.620 1.934 20 0 JDADLO COc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001504332957 1071064355 /nfs/dbraw/zinc/06/43/55/1071064355.db2.gz ZGPKVICYQYPFMT-ROUUACIJSA-N 1 2 465.620 1.934 20 0 JDADLO COc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001504332139 1071063683 /nfs/dbraw/zinc/06/36/83/1071063683.db2.gz ZNGBMMAPKQVBBF-UHFFFAOYSA-N 1 2 499.660 1.984 20 0 JDADLO COc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001504332139 1071063698 /nfs/dbraw/zinc/06/36/98/1071063698.db2.gz ZNGBMMAPKQVBBF-UHFFFAOYSA-N 1 2 499.660 1.984 20 0 JDADLO COc1cccc([C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCn2cccn2)[NH+](C)C)c1 ZINC001504326156 1071060882 /nfs/dbraw/zinc/06/08/82/1071060882.db2.gz UMNHLZXGEUWSAQ-TZIWHRDSSA-N 1 2 487.630 1.825 20 0 JDADLO CCOCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001503113433 1071072596 /nfs/dbraw/zinc/07/25/96/1071072596.db2.gz WUMVHNVLXZZKLC-QFIPXVFZSA-N 1 2 466.652 1.327 20 0 JDADLO CCOCc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001503113524 1071073515 /nfs/dbraw/zinc/07/35/15/1071073515.db2.gz OFVGSPKMJQHHBT-UHFFFAOYSA-N 1 2 452.581 1.258 20 0 JDADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001503112088 1071069937 /nfs/dbraw/zinc/06/99/37/1071069937.db2.gz ARHBNJFUNNXAMY-QGZVFWFLSA-N 1 2 483.664 1.326 20 0 JDADLO CCOCc1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503112174 1071070808 /nfs/dbraw/zinc/07/08/08/1071070808.db2.gz HECGLEDSVBRLRS-LJQANCHMSA-N 1 2 474.654 1.768 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](C(C)C)C2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503116481 1071080139 /nfs/dbraw/zinc/08/01/39/1071080139.db2.gz DPXGNTCPECEKLT-LRZVDXDASA-N 1 2 451.612 1.946 20 0 JDADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001503115998 1071078577 /nfs/dbraw/zinc/07/85/77/1071078577.db2.gz XZHBTYRFIKUPHN-FQEVSTJZSA-N 1 2 495.669 1.571 20 0 JDADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001503116040 1071079219 /nfs/dbraw/zinc/07/92/19/1071079219.db2.gz YVEJDFBXEQUHJR-NJDAHSKKSA-N 1 2 450.628 1.471 20 0 JDADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001503115999 1071079470 /nfs/dbraw/zinc/07/94/70/1071079470.db2.gz XZHBTYRFIKUPHN-HXUWFJFHSA-N 1 2 495.669 1.571 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](Cn3cc(C)cn3)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503121756 1071088298 /nfs/dbraw/zinc/08/82/98/1071088298.db2.gz AMVJGXMZVQCWLR-SFTDATJTSA-N 1 2 460.627 1.251 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503122220 1071088406 /nfs/dbraw/zinc/08/84/06/1071088406.db2.gz CKQFJRWUQQSBJG-QZTJIDSGSA-N 1 2 468.599 1.265 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503122220 1071088417 /nfs/dbraw/zinc/08/84/17/1071088417.db2.gz CKQFJRWUQQSBJG-QZTJIDSGSA-N 1 2 468.599 1.265 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503124116 1071089893 /nfs/dbraw/zinc/08/98/93/1071089893.db2.gz LDVDEWZMLZDLJQ-QZTJIDSGSA-N 1 2 468.599 1.265 20 0 JDADLO CCOCc1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001503132874 1071094093 /nfs/dbraw/zinc/09/40/93/1071094093.db2.gz XHQHOIBVMRUONM-WOJBJXKFSA-N 1 2 472.590 1.854 20 0 JDADLO CCOC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503140884 1071097227 /nfs/dbraw/zinc/09/72/27/1071097227.db2.gz JLTZHGZDZULNJP-NRFANRHFSA-N 1 2 455.607 1.681 20 0 JDADLO CCOC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001503148024 1071102385 /nfs/dbraw/zinc/10/23/85/1071102385.db2.gz JPCDHIYICBBNRQ-IEBWSBKVSA-N 1 2 493.634 1.031 20 0 JDADLO COc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(=O)NC(C)C ZINC001504385157 1071117594 /nfs/dbraw/zinc/11/75/94/1071117594.db2.gz KTFIIIUNEPUZQR-IBGZPJMESA-N 1 2 483.617 1.611 20 0 JDADLO CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503173553 1071119579 /nfs/dbraw/zinc/11/95/79/1071119579.db2.gz KPQRNOMWMREPFL-RBUKOAKNSA-N 1 2 461.611 1.179 20 0 JDADLO CCOCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503177673 1071123591 /nfs/dbraw/zinc/12/35/91/1071123591.db2.gz DMAQTFAQCRMOQX-HNNXBMFYSA-N 1 2 451.597 1.339 20 0 JDADLO COc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1c[nH+]ccc1OC ZINC001504397652 1071133284 /nfs/dbraw/zinc/13/32/84/1071133284.db2.gz HSDCVHPMTDAEGF-SFHVURJKSA-N 1 2 457.556 1.953 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504409485 1071151445 /nfs/dbraw/zinc/15/14/45/1071151445.db2.gz MXRITRLTKVEZEO-NQIIRXRSSA-N 1 2 456.591 1.703 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504409485 1071151457 /nfs/dbraw/zinc/15/14/57/1071151457.db2.gz MXRITRLTKVEZEO-NQIIRXRSSA-N 1 2 456.591 1.703 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCSC[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504410112 1071153939 /nfs/dbraw/zinc/15/39/39/1071153939.db2.gz HCNLCXNRFDNLNQ-SFHVURJKSA-N 1 2 458.632 1.983 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCSC[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504410110 1071153685 /nfs/dbraw/zinc/15/36/85/1071153685.db2.gz HCNLCXNRFDNLNQ-GOSISDBHSA-N 1 2 458.632 1.983 20 0 JDADLO COc1ccccc1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504414292 1071166204 /nfs/dbraw/zinc/16/62/04/1071166204.db2.gz YZQFMZJSHMIJSR-UHFFFAOYSA-N 1 2 465.558 1.945 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503220998 1071175852 /nfs/dbraw/zinc/17/58/52/1071175852.db2.gz OIXTZYSFFZPOTG-ICSRJNTNSA-N 1 2 479.651 1.441 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503220998 1071175862 /nfs/dbraw/zinc/17/58/62/1071175862.db2.gz OIXTZYSFFZPOTG-ICSRJNTNSA-N 1 2 479.651 1.441 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503222462 1071181069 /nfs/dbraw/zinc/18/10/69/1071181069.db2.gz GWBQIBQQHGLIFR-PMACEKPBSA-N 1 2 496.678 1.162 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503222462 1071181072 /nfs/dbraw/zinc/18/10/72/1071181072.db2.gz GWBQIBQQHGLIFR-PMACEKPBSA-N 1 2 496.678 1.162 20 0 JDADLO CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001503222605 1071182672 /nfs/dbraw/zinc/18/26/72/1071182672.db2.gz HUMQCJDTEBNDQF-MOPGFXCFSA-N 1 2 496.703 1.703 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C[C@H]1CC ZINC001503222672 1071184035 /nfs/dbraw/zinc/18/40/35/1071184035.db2.gz IEKBIPLRDMTYPO-FXAWDEMLSA-N 1 2 480.610 1.700 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C[C@H]1CC ZINC001503222672 1071184045 /nfs/dbraw/zinc/18/40/45/1071184045.db2.gz IEKBIPLRDMTYPO-FXAWDEMLSA-N 1 2 480.610 1.700 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504429100 1071188958 /nfs/dbraw/zinc/18/89/58/1071188958.db2.gz MXWAONBRTACVOB-GOSISDBHSA-N 1 2 474.606 1.937 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001504429100 1071188973 /nfs/dbraw/zinc/18/89/73/1071188973.db2.gz MXWAONBRTACVOB-GOSISDBHSA-N 1 2 474.606 1.937 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503223786 1071189417 /nfs/dbraw/zinc/18/94/17/1071189417.db2.gz SEEXDKQEQRIWDM-DENIHFKCSA-N 1 2 497.687 1.417 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503223786 1071189429 /nfs/dbraw/zinc/18/94/29/1071189429.db2.gz SEEXDKQEQRIWDM-DENIHFKCSA-N 1 2 497.687 1.417 20 0 JDADLO COc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001504433194 1071196105 /nfs/dbraw/zinc/19/61/05/1071196105.db2.gz VBWOMNSZBCCVNH-LJQANCHMSA-N 1 2 485.633 1.559 20 0 JDADLO COc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001504433194 1071196117 /nfs/dbraw/zinc/19/61/17/1071196117.db2.gz VBWOMNSZBCCVNH-LJQANCHMSA-N 1 2 485.633 1.559 20 0 JDADLO CCOCCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001503228369 1071198410 /nfs/dbraw/zinc/19/84/10/1071198410.db2.gz NKDRXSMGWLJGEW-OALUTQOASA-N 1 2 478.619 1.321 20 0 JDADLO CCS(=O)(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001503231938 1071203863 /nfs/dbraw/zinc/20/38/63/1071203863.db2.gz YIDHSEZJCLKRPX-UHFFFAOYSA-N 1 2 463.608 1.329 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC[C@H](OC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504438931 1071207945 /nfs/dbraw/zinc/20/79/45/1071207945.db2.gz WNXXVVFPUFJYMM-FQEVSTJZSA-N 1 2 472.590 1.645 20 0 JDADLO CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001503233912 1071211469 /nfs/dbraw/zinc/21/14/69/1071211469.db2.gz IQSMARQWCWXRCX-SFHVURJKSA-N 1 2 495.671 1.920 20 0 JDADLO CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)CC1 ZINC001503234397 1071213515 /nfs/dbraw/zinc/21/35/15/1071213515.db2.gz PQPSVASXIHHOAH-QGZVFWFLSA-N 1 2 496.659 1.481 20 0 JDADLO COc1ccccc1SCc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504445401 1071216515 /nfs/dbraw/zinc/21/65/15/1071216515.db2.gz PNIKEAAUCRMZQD-ZWKOTPCHSA-N 1 2 474.631 1.967 20 0 JDADLO COc1ccccc1SCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504447569 1071218343 /nfs/dbraw/zinc/21/83/43/1071218343.db2.gz DUYHLQDMTCPUGN-MSOLQXFVSA-N 1 2 474.631 1.967 20 0 JDADLO COc1ccccc1SCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001504447580 1071218366 /nfs/dbraw/zinc/21/83/66/1071218366.db2.gz DUYHLQDMTCPUGN-ZWKOTPCHSA-N 1 2 474.631 1.967 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001504454148 1071225003 /nfs/dbraw/zinc/22/50/03/1071225003.db2.gz UDYKVLBHAJNTSJ-INIZCTEOSA-N 1 2 499.597 1.314 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001504454150 1071225193 /nfs/dbraw/zinc/22/51/93/1071225193.db2.gz UDYKVLBHAJNTSJ-MRXNPFEDSA-N 1 2 499.597 1.314 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC1CCOCC1 ZINC001504454105 1071225268 /nfs/dbraw/zinc/22/52/68/1071225268.db2.gz OYYYCCQQFWCAEF-OAHLLOKOSA-N 1 2 452.581 1.593 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001504453242 1071223755 /nfs/dbraw/zinc/22/37/55/1071223755.db2.gz IAGMSEUCLYBHKP-UHFFFAOYSA-N 1 2 474.591 1.406 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001504453691 1071224371 /nfs/dbraw/zinc/22/43/71/1071224371.db2.gz KPIIADNALGDLFI-KRWDZBQOSA-N 1 2 455.563 1.659 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001504454379 1071225953 /nfs/dbraw/zinc/22/59/53/1071225953.db2.gz QQQIHISHJCCIFZ-GLJUWKHASA-N 1 2 450.565 1.344 20 0 JDADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503238863 1071227317 /nfs/dbraw/zinc/22/73/17/1071227317.db2.gz BDEKNMXZULEIQO-QGZVFWFLSA-N 1 2 473.603 1.813 20 0 JDADLO COc1cc[nH+]cc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001504455499 1071230701 /nfs/dbraw/zinc/23/07/01/1071230701.db2.gz AUDNEXCOJCQIDD-UHFFFAOYSA-N 1 2 485.570 1.192 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 ZINC001504455043 1071227967 /nfs/dbraw/zinc/22/79/67/1071227967.db2.gz VXFRITJKJQLMRX-PBHICJAKSA-N 1 2 454.622 1.918 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001504454932 1071228085 /nfs/dbraw/zinc/22/80/85/1071228085.db2.gz ZSMBCDXSSBBUKN-UHFFFAOYSA-N 1 2 463.951 1.527 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001504454900 1071228106 /nfs/dbraw/zinc/22/81/06/1071228106.db2.gz VJNZGPSJNDADSG-UHFFFAOYSA-N 1 2 470.555 1.834 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001504455488 1071230477 /nfs/dbraw/zinc/23/04/77/1071230477.db2.gz AOZPXGAIRBILBZ-IBGZPJMESA-N 1 2 473.603 1.995 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 ZINC001504455237 1071228740 /nfs/dbraw/zinc/22/87/40/1071228740.db2.gz YUXPVAIKKAJZGU-KRWDZBQOSA-N 1 2 471.587 1.667 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 ZINC001504455046 1071228838 /nfs/dbraw/zinc/22/88/38/1071228838.db2.gz VXFRITJKJQLMRX-YOEHRIQHSA-N 1 2 454.622 1.918 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001504455084 1071228946 /nfs/dbraw/zinc/22/89/46/1071228946.db2.gz WQDLGBLSFMBRGA-KRWDZBQOSA-N 1 2 457.579 1.999 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001504456767 1071232130 /nfs/dbraw/zinc/23/21/30/1071232130.db2.gz XKZICSOUBYLTTL-UHFFFAOYSA-N 1 2 457.560 1.188 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCNS(C)(=O)=O ZINC001504456862 1071232169 /nfs/dbraw/zinc/23/21/69/1071232169.db2.gz YEXUFFTXAKJSSR-UHFFFAOYSA-N 1 2 469.571 1.718 20 0 JDADLO COc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504458623 1071235641 /nfs/dbraw/zinc/23/56/41/1071235641.db2.gz VPQYPQCSOKEDNX-UHFFFAOYSA-N 1 2 470.603 1.955 20 0 JDADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503242185 1071233812 /nfs/dbraw/zinc/23/38/12/1071233812.db2.gz WQSNDWNJLROTOK-SJLPKXTDSA-N 1 2 450.609 1.941 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001504457185 1071234279 /nfs/dbraw/zinc/23/42/79/1071234279.db2.gz IRYUXLXOWXUDIX-HIFRSBDPSA-N 1 2 453.469 1.754 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001504460771 1071239081 /nfs/dbraw/zinc/23/90/81/1071239081.db2.gz WDQJQOQNQCHZEW-WIYYLYMNSA-N 1 2 480.591 1.068 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001504460767 1071239325 /nfs/dbraw/zinc/23/93/25/1071239325.db2.gz WDQJQOQNQCHZEW-GHTZIAJQSA-N 1 2 480.591 1.068 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSC ZINC001504461590 1071239525 /nfs/dbraw/zinc/23/95/25/1071239525.db2.gz WOPLNIXZJBPYQO-QAPCUYQASA-N 1 2 484.648 1.641 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001504459181 1071236061 /nfs/dbraw/zinc/23/60/61/1071236061.db2.gz MBGPCWVMADMOOO-MAUKXSAKSA-N 1 2 480.591 1.067 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001504459037 1071236213 /nfs/dbraw/zinc/23/62/13/1071236213.db2.gz HYPSIFWNURRAFW-FGTMMUONSA-N 1 2 478.619 1.178 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001503243074 1071236360 /nfs/dbraw/zinc/23/63/60/1071236360.db2.gz JFXWPAFBBZMRMI-OTWHNJEPSA-N 1 2 457.641 1.398 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503243074 1071236371 /nfs/dbraw/zinc/23/63/71/1071236371.db2.gz JFXWPAFBBZMRMI-OTWHNJEPSA-N 1 2 457.641 1.398 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 ZINC001504458817 1071236466 /nfs/dbraw/zinc/23/64/66/1071236466.db2.gz FMMQYVBJNAXYHV-HXUWFJFHSA-N 1 2 490.561 1.838 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001503245210 1071242272 /nfs/dbraw/zinc/24/22/72/1071242272.db2.gz HFCCJAXZVZACPT-KRWDZBQOSA-N 1 2 495.671 1.704 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001503245210 1071242287 /nfs/dbraw/zinc/24/22/87/1071242287.db2.gz HFCCJAXZVZACPT-KRWDZBQOSA-N 1 2 495.671 1.704 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001503249645 1071260064 /nfs/dbraw/zinc/26/00/64/1071260064.db2.gz CCTITBVMXTXGAC-QZTJIDSGSA-N 1 2 478.619 1.920 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001503250818 1071264596 /nfs/dbraw/zinc/26/45/96/1071264596.db2.gz HIDBZXIZEOXHRK-LJQANCHMSA-N 1 2 499.641 1.803 20 0 JDADLO CO[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504490174 1071265324 /nfs/dbraw/zinc/26/53/24/1071265324.db2.gz OFMIRMLHAJSXAN-QFIPXVFZSA-N 1 2 456.591 1.945 20 0 JDADLO CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC[C@H]1C ZINC001504494440 1071272020 /nfs/dbraw/zinc/27/20/20/1071272020.db2.gz MNVYCSOGIDBGCS-HMFYCAOWSA-N 1 2 466.652 1.485 20 0 JDADLO CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001503253244 1071276229 /nfs/dbraw/zinc/27/62/29/1071276229.db2.gz VZIMDTSHJCNQLZ-SFHVURJKSA-N 1 2 462.620 1.562 20 0 JDADLO CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001503253244 1071276249 /nfs/dbraw/zinc/27/62/49/1071276249.db2.gz VZIMDTSHJCNQLZ-SFHVURJKSA-N 1 2 462.620 1.562 20 0 JDADLO CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001503255459 1071283140 /nfs/dbraw/zinc/28/31/40/1071283140.db2.gz ZMMLSHKSPTWLBM-UHFFFAOYSA-N 1 2 483.038 1.827 20 0 JDADLO CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504516049 1071291623 /nfs/dbraw/zinc/29/16/23/1071291623.db2.gz GGHQMLDCDJYBEG-PKOBYXMFSA-N 1 2 477.635 1.555 20 0 JDADLO CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504516045 1071291863 /nfs/dbraw/zinc/29/18/63/1071291863.db2.gz GGHQMLDCDJYBEG-IEBWSBKVSA-N 1 2 477.635 1.555 20 0 JDADLO CO[C@H]1COCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504519658 1071295424 /nfs/dbraw/zinc/29/54/24/1071295424.db2.gz WUJUPTKPZDLZJH-UNMCSNQZSA-N 1 2 486.617 1.967 20 0 JDADLO CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001503260353 1071308381 /nfs/dbraw/zinc/30/83/81/1071308381.db2.gz WQMNKOFKXBBTRI-NRFANRHFSA-N 1 2 490.674 1.865 20 0 JDADLO CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503261249 1071311920 /nfs/dbraw/zinc/31/19/20/1071311920.db2.gz RGOMDPRZXOZKJT-ICSRJNTNSA-N 1 2 468.668 1.290 20 0 JDADLO CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503261249 1071311938 /nfs/dbraw/zinc/31/19/38/1071311938.db2.gz RGOMDPRZXOZKJT-ICSRJNTNSA-N 1 2 468.668 1.290 20 0 JDADLO COCC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001504534526 1071330460 /nfs/dbraw/zinc/33/04/60/1071330460.db2.gz AGQVYCOTALNFLX-SFHVURJKSA-N 1 2 460.554 1.024 20 0 JDADLO COCC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001504534526 1071330479 /nfs/dbraw/zinc/33/04/79/1071330479.db2.gz AGQVYCOTALNFLX-SFHVURJKSA-N 1 2 460.554 1.024 20 0 JDADLO COCC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001504537091 1071343700 /nfs/dbraw/zinc/34/37/00/1071343700.db2.gz OVIPBMJREWTMJW-GOSISDBHSA-N 1 2 493.008 1.526 20 0 JDADLO COCC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001504537068 1071343841 /nfs/dbraw/zinc/34/38/41/1071343841.db2.gz OUEKXTQBNNUMFF-HXUWFJFHSA-N 1 2 488.658 1.895 20 0 JDADLO COCC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001504537344 1071345012 /nfs/dbraw/zinc/34/50/12/1071345012.db2.gz SYIXITNVWOCOHT-GOSISDBHSA-N 1 2 476.553 1.012 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001504537860 1071348593 /nfs/dbraw/zinc/34/85/93/1071348593.db2.gz GSBHFVYPVHYMNY-UHFFFAOYSA-N 1 2 498.632 1.581 20 0 JDADLO CCS(=O)(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001503270097 1071355216 /nfs/dbraw/zinc/35/52/16/1071355216.db2.gz LWHQGLHWHVGZHZ-UHFFFAOYSA-N 1 2 491.662 1.764 20 0 JDADLO CCS(=O)(=O)NC1CCN(c2nnc(C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001503271232 1071363310 /nfs/dbraw/zinc/36/33/10/1071363310.db2.gz YVWCMJLFAHRBTJ-JOCHJYFZSA-N 1 2 476.647 1.877 20 0 JDADLO COCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504550928 1071375852 /nfs/dbraw/zinc/37/58/52/1071375852.db2.gz VHPINMSJEHVFAN-QZTJIDSGSA-N 1 2 461.611 1.035 20 0 JDADLO COCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504550930 1071376006 /nfs/dbraw/zinc/37/60/06/1071376006.db2.gz VHPINMSJEHVFAN-ZWKOTPCHSA-N 1 2 461.611 1.035 20 0 JDADLO CCS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001503272875 1071372180 /nfs/dbraw/zinc/37/21/80/1071372180.db2.gz LVZZUMFIVBNWOJ-UHFFFAOYSA-N 1 2 470.603 1.758 20 0 JDADLO COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504570107 1071392192 /nfs/dbraw/zinc/39/21/92/1071392192.db2.gz LIOHRKZCPKPWCA-FPOVZHCZSA-N 1 2 460.627 1.192 20 0 JDADLO COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504570108 1071392492 /nfs/dbraw/zinc/39/24/92/1071392492.db2.gz LIOHRKZCPKPWCA-PZJWPPBQSA-N 1 2 460.627 1.192 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3cn4nccc4nc3C)cc2)CC1 ZINC001546289766 1071393974 /nfs/dbraw/zinc/39/39/74/1071393974.db2.gz SYWKEUCCYXEGJU-UHFFFAOYSA-N 1 2 450.543 1.553 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@](C)(O)Cc3ccccc3)cc2)CC1 ZINC001546289758 1071394156 /nfs/dbraw/zinc/39/41/56/1071394156.db2.gz SWNOTQFTEIOIEN-AREMUKBSSA-N 1 2 453.583 1.882 20 0 JDADLO COC[C@H](C)Cn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504575255 1071395379 /nfs/dbraw/zinc/39/53/79/1071395379.db2.gz DNTWSKCDZGLEII-TYBLODHISA-N 1 2 492.665 1.734 20 0 JDADLO CCS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503277406 1071395642 /nfs/dbraw/zinc/39/56/42/1071395642.db2.gz KUZASHHKVKNZPE-UHFFFAOYSA-N 1 2 475.644 1.981 20 0 JDADLO COC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504584061 1071411066 /nfs/dbraw/zinc/41/10/66/1071411066.db2.gz IDKNISVMGDBPKE-NHCUHLMSSA-N 1 2 490.624 1.977 20 0 JDADLO CCS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503278474 1071406419 /nfs/dbraw/zinc/40/64/19/1071406419.db2.gz VNPDCTPCMKPKMS-UHFFFAOYSA-N 1 2 484.630 1.617 20 0 JDADLO CCS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503278428 1071406466 /nfs/dbraw/zinc/40/64/66/1071406466.db2.gz UJAIXKVHCKQTRW-UHFFFAOYSA-N 1 2 470.603 1.315 20 0 JDADLO CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001503278525 1071407368 /nfs/dbraw/zinc/40/73/68/1071407368.db2.gz UEPRXTMZTDOVPZ-UHFFFAOYSA-N 1 2 468.599 1.811 20 0 JDADLO COC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)OC ZINC001504587551 1071422889 /nfs/dbraw/zinc/42/28/89/1071422889.db2.gz ZGIHGUWCPNEEHV-RTWAWAEBSA-N 1 2 477.631 1.472 20 0 JDADLO CCS(=O)(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503280478 1071421693 /nfs/dbraw/zinc/42/16/93/1071421693.db2.gz OLHJJGJZTFSQMS-UHFFFAOYSA-N 1 2 457.000 1.306 20 0 JDADLO COC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504587765 1071423540 /nfs/dbraw/zinc/42/35/40/1071423540.db2.gz FBXSDRKWSXTJLU-TZIWHRDSSA-N 1 2 471.606 1.058 20 0 JDADLO COC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504588490 1071425318 /nfs/dbraw/zinc/42/53/18/1071425318.db2.gz IVYAGGHQQPMQBX-FGZHOGPDSA-N 1 2 487.649 1.541 20 0 JDADLO CCS(=O)(=O)NCCn1c(-c2ccccc2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503282068 1071434061 /nfs/dbraw/zinc/43/40/61/1071434061.db2.gz IVSWBPXRTNKBAH-UHFFFAOYSA-N 1 2 470.603 1.618 20 0 JDADLO CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503283851 1071448576 /nfs/dbraw/zinc/44/85/76/1071448576.db2.gz ICVPSDIZJAWTEL-UHFFFAOYSA-N 1 2 470.603 1.227 20 0 JDADLO COC[C@H](F)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504603919 1071455962 /nfs/dbraw/zinc/45/59/62/1071455962.db2.gz WBGGHGMDBZBTDH-RTWAWAEBSA-N 1 2 461.586 1.556 20 0 JDADLO COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504606904 1071461742 /nfs/dbraw/zinc/46/17/42/1071461742.db2.gz IBXUBWDRWQBAIH-GUDVDZBRSA-N 1 2 452.575 1.290 20 0 JDADLO CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503285084 1071464641 /nfs/dbraw/zinc/46/46/41/1071464641.db2.gz PMEBUACCEMUXIF-SFHVURJKSA-N 1 2 463.608 1.483 20 0 JDADLO CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001503285237 1071466583 /nfs/dbraw/zinc/46/65/83/1071466583.db2.gz GAXJRXAQSZLHGP-SSEXGKCCSA-N 1 2 450.634 1.666 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3nnc(-c4ccco4)o3)cc2)CC1 ZINC001546289903 1071476658 /nfs/dbraw/zinc/47/66/58/1071476658.db2.gz WNYXCQAYQLVTSF-UHFFFAOYSA-N 1 2 453.499 1.845 20 0 JDADLO CC[S@@](=O)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CCOC)CC1 ZINC001503293445 1071502080 /nfs/dbraw/zinc/50/20/80/1071502080.db2.gz GHTURULXYMUQBE-JGCGQSQUSA-N 1 2 459.576 1.131 20 0 JDADLO CC[S@](=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503294101 1071503550 /nfs/dbraw/zinc/50/35/50/1071503550.db2.gz JQOBUJGKBNQFPW-JYLMFRAHSA-N 1 2 473.647 1.406 20 0 JDADLO CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001503300057 1071517623 /nfs/dbraw/zinc/51/76/23/1071517623.db2.gz QSNWLVOFTFPXFY-ASPBEGMCSA-N 1 2 474.631 1.637 20 0 JDADLO CC[S@@](=O)CCn1c(Cc2csc(C)n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503301548 1071521196 /nfs/dbraw/zinc/52/11/96/1071521196.db2.gz OVHLZVSFBUIKDO-OXVFITQMSA-N 1 2 454.666 1.948 20 0 JDADLO CC[S@@](=O)CCn1c(Cc2csc(C)n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503301548 1071521203 /nfs/dbraw/zinc/52/12/03/1071521203.db2.gz OVHLZVSFBUIKDO-OXVFITQMSA-N 1 2 454.666 1.948 20 0 JDADLO CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001503302097 1071521815 /nfs/dbraw/zinc/52/18/15/1071521815.db2.gz XNYQTEQBEZNBIE-WHUARKNTSA-N 1 2 460.604 1.199 20 0 JDADLO CC[S@](=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001503313206 1071535621 /nfs/dbraw/zinc/53/56/21/1071535621.db2.gz NLZDSLJDNLMHNF-UMSFTDKQSA-N 1 2 488.658 1.857 20 0 JDADLO CC[S@](=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001503313206 1071535635 /nfs/dbraw/zinc/53/56/35/1071535635.db2.gz NLZDSLJDNLMHNF-UMSFTDKQSA-N 1 2 488.658 1.857 20 0 JDADLO CCS[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001503325263 1071541293 /nfs/dbraw/zinc/54/12/93/1071541293.db2.gz MEIFFHYQCZDRAS-FGTMMUONSA-N 1 2 474.697 1.721 20 0 JDADLO CN(C)C(=O)CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001503357287 1071558775 /nfs/dbraw/zinc/55/87/75/1071558775.db2.gz IQONKMAMULRPKV-UHFFFAOYSA-N 1 2 468.606 1.718 20 0 JDADLO CN(C)C(=O)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001503358074 1071563439 /nfs/dbraw/zinc/56/34/39/1071563439.db2.gz QBCPRDQUUAUSEL-UHFFFAOYSA-N 1 2 498.632 1.731 20 0 JDADLO CN(C)C(=O)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001503358074 1071563450 /nfs/dbraw/zinc/56/34/50/1071563450.db2.gz QBCPRDQUUAUSEL-UHFFFAOYSA-N 1 2 498.632 1.731 20 0 JDADLO CN(C)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503361579 1071577443 /nfs/dbraw/zinc/57/74/43/1071577443.db2.gz FQRNATKRWVZTFP-UHFFFAOYSA-N 1 2 477.573 1.818 20 0 JDADLO CN(C)C(=O)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503365892 1071591445 /nfs/dbraw/zinc/59/14/45/1071591445.db2.gz YILNVQDWLQZFRQ-UHFFFAOYSA-N 1 2 458.563 1.353 20 0 JDADLO CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001503367789 1071595650 /nfs/dbraw/zinc/59/56/50/1071595650.db2.gz LORPGWNMKWCZNH-KRWDZBQOSA-N 1 2 480.660 1.085 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001504730384 1071600522 /nfs/dbraw/zinc/60/05/22/1071600522.db2.gz KHHNQHNNKWHRHN-REWPJTCUSA-N 1 2 470.618 1.582 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001504732518 1071604060 /nfs/dbraw/zinc/60/40/60/1071604060.db2.gz WPOZIHUYSZQXRE-FCEWJHQRSA-N 1 2 450.609 1.595 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001504732518 1071604070 /nfs/dbraw/zinc/60/40/70/1071604070.db2.gz WPOZIHUYSZQXRE-FCEWJHQRSA-N 1 2 450.609 1.595 20 0 JDADLO COC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001504739959 1071618180 /nfs/dbraw/zinc/61/81/80/1071618180.db2.gz MKIYXVRMVPOBHC-NQIIRXRSSA-N 1 2 461.563 1.438 20 0 JDADLO COC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001504739962 1071618266 /nfs/dbraw/zinc/61/82/66/1071618266.db2.gz MKIYXVRMVPOBHC-WIYYLYMNSA-N 1 2 461.563 1.438 20 0 JDADLO COC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001504741689 1071619809 /nfs/dbraw/zinc/61/98/09/1071619809.db2.gz RDDXXMFDBNFRBE-FHWLQOOXSA-N 1 2 463.554 1.957 20 0 JDADLO COC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001504741691 1071619951 /nfs/dbraw/zinc/61/99/51/1071619951.db2.gz RDDXXMFDBNFRBE-QRVBRYPASA-N 1 2 463.554 1.957 20 0 JDADLO COCC[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001504748208 1071625736 /nfs/dbraw/zinc/62/57/36/1071625736.db2.gz CJIVWDBGQHJGLA-UZUQRXQVSA-N 1 2 460.579 1.423 20 0 JDADLO CN(C)C(=O)COc1cccc(Cn2c(N(C)CC[NH+]3CCOCC3)nnc2C(C)(C)C)c1 ZINC001503378330 1071632952 /nfs/dbraw/zinc/63/29/52/1071632952.db2.gz WPVQFVZNBXRINS-UHFFFAOYSA-N 1 2 458.607 1.859 20 0 JDADLO COCC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001504751816 1071634023 /nfs/dbraw/zinc/63/40/23/1071634023.db2.gz OIQURVYECYOBFX-HOYKHHGWSA-N 1 2 456.591 1.522 20 0 JDADLO C[NH+](C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001503379822 1071635078 /nfs/dbraw/zinc/63/50/78/1071635078.db2.gz MZZLZGGFXIEONT-MOPGFXCFSA-N 1 2 483.598 1.852 20 0 JDADLO COCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504752499 1071635913 /nfs/dbraw/zinc/63/59/13/1071635913.db2.gz BHNIGKJAROKVJM-SKPFHBQLSA-N 1 2 478.638 1.093 20 0 JDADLO C[NH+](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC001503383667 1071639209 /nfs/dbraw/zinc/63/92/09/1071639209.db2.gz VGRMZQKUOXHYCX-HXUWFJFHSA-N 1 2 492.621 1.856 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccsc1 ZINC001503379026 1071634186 /nfs/dbraw/zinc/63/41/86/1071634186.db2.gz BQJJUGZMNICNDF-JXXFODFXSA-N 1 2 466.633 1.246 20 0 JDADLO COCC[C@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504754353 1071640150 /nfs/dbraw/zinc/64/01/50/1071640150.db2.gz FBYKWHNRQQTORI-REWPJTCUSA-N 1 2 461.563 1.347 20 0 JDADLO COCC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001504755749 1071643361 /nfs/dbraw/zinc/64/33/61/1071643361.db2.gz KOSQSDRABWYEFF-ZJSXRUAMSA-N 1 2 491.658 1.332 20 0 JDADLO COCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504756110 1071643998 /nfs/dbraw/zinc/64/39/98/1071643998.db2.gz LVMWLPDSQGZXJE-LAUBAEHRSA-N 1 2 450.609 1.657 20 0 JDADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(-c3ccccc3F)n1CCNS(C)(=O)=O)C2 ZINC001503391402 1071650966 /nfs/dbraw/zinc/65/09/66/1071650966.db2.gz MHOAYSXUUMCEHF-UHFFFAOYSA-N 1 2 459.551 1.657 20 0 JDADLO CN(C)c1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCNC(=O)CC2)c[nH+]1 ZINC001503390281 1071650256 /nfs/dbraw/zinc/65/02/56/1071650256.db2.gz GATMHJNLLBMQEB-UHFFFAOYSA-N 1 2 498.613 1.031 20 0 JDADLO CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CCC2)c[nH+]1 ZINC001503392176 1071652041 /nfs/dbraw/zinc/65/20/41/1071652041.db2.gz CWMNFMMZPPYUKJ-GOSISDBHSA-N 1 2 463.608 1.357 20 0 JDADLO CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccs2)c[nH+]1 ZINC001503395250 1071654456 /nfs/dbraw/zinc/65/44/56/1071654456.db2.gz XVHPAUJSYRVBJE-GOSISDBHSA-N 1 2 491.643 1.818 20 0 JDADLO CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccs2)c[nH+]1 ZINC001503395253 1071654502 /nfs/dbraw/zinc/65/45/02/1071654502.db2.gz XVHPAUJSYRVBJE-SFHVURJKSA-N 1 2 491.643 1.818 20 0 JDADLO CN(C)c1ccc(Cn2c(Cc3cn4ccccc4n3)nnc2N(C)CCCS(C)(=O)=O)c[nH+]1 ZINC001503395274 1071654991 /nfs/dbraw/zinc/65/49/91/1071654991.db2.gz YJGSZXYLBOCAKC-UHFFFAOYSA-N 1 2 482.614 1.897 20 0 JDADLO COCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001504814770 1071686959 /nfs/dbraw/zinc/68/69/59/1071686959.db2.gz YTRDVGLZRXIDFM-NHCUHLMSSA-N 1 2 490.674 1.864 20 0 JDADLO COCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001504814771 1071686999 /nfs/dbraw/zinc/68/69/99/1071686999.db2.gz YTRDVGLZRXIDFM-RTWAWAEBSA-N 1 2 490.674 1.864 20 0 JDADLO COCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001504814772 1071687037 /nfs/dbraw/zinc/68/70/37/1071687037.db2.gz YTRDVGLZRXIDFM-SFTDATJTSA-N 1 2 490.674 1.864 20 0 JDADLO COCCCN(c1nnc(C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001504818474 1071700503 /nfs/dbraw/zinc/70/05/03/1071700503.db2.gz NDRIRPINCLXBSO-SCTDSRPQSA-N 1 2 457.641 1.504 20 0 JDADLO COCCCN(c1nnc(C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001504818474 1071700513 /nfs/dbraw/zinc/70/05/13/1071700513.db2.gz NDRIRPINCLXBSO-SCTDSRPQSA-N 1 2 457.641 1.504 20 0 JDADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCOC2)CC1 ZINC001504830861 1071715187 /nfs/dbraw/zinc/71/51/87/1071715187.db2.gz HJXNKHSBKPILOA-NLFFAJNJSA-N 1 2 486.617 1.068 20 0 JDADLO COCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001504834034 1071728997 /nfs/dbraw/zinc/72/89/97/1071728997.db2.gz DISLOLGJEXPSLW-LJQANCHMSA-N 1 2 464.655 1.957 20 0 JDADLO COCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001504834034 1071729013 /nfs/dbraw/zinc/72/90/13/1071729013.db2.gz DISLOLGJEXPSLW-LJQANCHMSA-N 1 2 464.655 1.957 20 0 JDADLO COCCCn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504834748 1071732142 /nfs/dbraw/zinc/73/21/42/1071732142.db2.gz WTQZSJIUWPWOPV-HYBUGGRVSA-N 1 2 478.638 1.488 20 0 JDADLO CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503437282 1071740991 /nfs/dbraw/zinc/74/09/91/1071740991.db2.gz SDBSTFDIZDZWKA-NRFANRHFSA-N 1 2 470.618 1.772 20 0 JDADLO CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503437282 1071740998 /nfs/dbraw/zinc/74/09/98/1071740998.db2.gz SDBSTFDIZDZWKA-NRFANRHFSA-N 1 2 470.618 1.772 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503439530 1071749853 /nfs/dbraw/zinc/74/98/53/1071749853.db2.gz PVLDIRUTLOWMGR-UHFFFAOYSA-N 1 2 484.605 1.145 20 0 JDADLO COCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504852579 1071754591 /nfs/dbraw/zinc/75/45/91/1071754591.db2.gz QNPBYCITOFDNKQ-IBGZPJMESA-N 1 2 479.626 1.597 20 0 JDADLO CN(CC(C)(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503448737 1071767989 /nfs/dbraw/zinc/76/79/89/1071767989.db2.gz QKUDPHRGFVOHIO-QGZVFWFLSA-N 1 2 472.656 1.204 20 0 JDADLO CN(CC(C)(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001503448737 1071767995 /nfs/dbraw/zinc/76/79/95/1071767995.db2.gz QKUDPHRGFVOHIO-QGZVFWFLSA-N 1 2 472.656 1.204 20 0 JDADLO CN(CC(C)(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1cccc[nH+]1 ZINC001503447479 1071765879 /nfs/dbraw/zinc/76/58/79/1071765879.db2.gz BZLNMJYJXLOKKT-QGZVFWFLSA-N 1 2 465.624 1.991 20 0 JDADLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CC1([S@](C)=O)CC1 ZINC001503449098 1071771048 /nfs/dbraw/zinc/77/10/48/1071771048.db2.gz ONBGEWHARVNBGV-YTTGMZPUSA-N 1 2 466.652 1.106 20 0 JDADLO CN(CC(F)(F)F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503452828 1071776205 /nfs/dbraw/zinc/77/62/05/1071776205.db2.gz DVOAJJDAXULJLU-HNNXBMFYSA-N 1 2 474.509 1.459 20 0 JDADLO CN(CC(F)(F)F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503452830 1071776497 /nfs/dbraw/zinc/77/64/97/1071776497.db2.gz DVOAJJDAXULJLU-OAHLLOKOSA-N 1 2 474.509 1.459 20 0 JDADLO CN(Cc1cccc(C(N)=O)c1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001503478885 1071799156 /nfs/dbraw/zinc/79/91/56/1071799156.db2.gz NNRKFVLNBIMBIJ-UHFFFAOYSA-N 1 2 492.584 1.772 20 0 JDADLO CN(Cc1cccc(C(N)=O)c1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503481804 1071801166 /nfs/dbraw/zinc/80/11/66/1071801166.db2.gz XIQJRZSTCVLHIU-UHFFFAOYSA-N 1 2 492.584 1.772 20 0 JDADLO CN(Cc1cccc(C(N)=O)c1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001503481804 1071801168 /nfs/dbraw/zinc/80/11/68/1071801168.db2.gz XIQJRZSTCVLHIU-UHFFFAOYSA-N 1 2 492.584 1.772 20 0 JDADLO CN(Cc1cnn(C)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001503497643 1071807558 /nfs/dbraw/zinc/80/75/58/1071807558.db2.gz JXOULVYQSOLCTI-QUCCMNQESA-N 1 2 475.594 1.992 20 0 JDADLO COCCN(Cc1ccc(C)o1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001504875458 1071807196 /nfs/dbraw/zinc/80/71/96/1071807196.db2.gz ILUFVIDEDSYNGQ-LJQANCHMSA-N 1 2 463.604 1.997 20 0 JDADLO COCCN(Cc1ccc(C)o1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001504875458 1071807201 /nfs/dbraw/zinc/80/72/01/1071807201.db2.gz ILUFVIDEDSYNGQ-LJQANCHMSA-N 1 2 463.604 1.997 20 0 JDADLO COCCN(c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1)[C@@H]1CC[C@@H](C)C1 ZINC001504870242 1071804764 /nfs/dbraw/zinc/80/47/64/1071804764.db2.gz WDXQHVHYTKQSJP-CEMLEFRQSA-N 1 2 462.639 1.978 20 0 JDADLO COCCN(c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1)[C@H]1CC[C@@H](C)C1 ZINC001504870245 1071804803 /nfs/dbraw/zinc/80/48/03/1071804803.db2.gz WDXQHVHYTKQSJP-FCEUIQTBSA-N 1 2 462.639 1.978 20 0 JDADLO COCCN(c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1)[C@@H]1CC[C@H](C)C1 ZINC001504870247 1071804833 /nfs/dbraw/zinc/80/48/33/1071804833.db2.gz WDXQHVHYTKQSJP-KSEOMHKRSA-N 1 2 462.639 1.978 20 0 JDADLO COCCn1c(COc2cccc(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504895919 1071821724 /nfs/dbraw/zinc/82/17/24/1071821724.db2.gz DARLYFRWLDFVOI-FQEVSTJZSA-N 1 2 456.591 1.945 20 0 JDADLO COCCn1cc(Cn2c(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cn1 ZINC001504898289 1071826126 /nfs/dbraw/zinc/82/61/26/1071826126.db2.gz QODTUVJVMHJGBG-LJQANCHMSA-N 1 2 472.638 1.600 20 0 JDADLO COCCn1cc(Cn2c(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cn1 ZINC001504898286 1071826017 /nfs/dbraw/zinc/82/60/17/1071826017.db2.gz QODTUVJVMHJGBG-IBGZPJMESA-N 1 2 472.638 1.600 20 0 JDADLO CN(CCCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1CC[NH+]1CCSCC1 ZINC001503604602 1071886331 /nfs/dbraw/zinc/88/63/31/1071886331.db2.gz ZKXAEUMIUPXGFR-UHFFFAOYSA-N 1 2 455.625 1.928 20 0 JDADLO CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001503610601 1071894402 /nfs/dbraw/zinc/89/44/02/1071894402.db2.gz AHHRZPAPAQGLDW-QGZVFWFLSA-N 1 2 470.578 1.818 20 0 JDADLO CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001503610600 1071894476 /nfs/dbraw/zinc/89/44/76/1071894476.db2.gz AHHRZPAPAQGLDW-KRWDZBQOSA-N 1 2 470.578 1.818 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001503618230 1071903814 /nfs/dbraw/zinc/90/38/14/1071903814.db2.gz GFUKAFABHFGMRG-OALUTQOASA-N 1 2 491.637 1.645 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F ZINC001503618457 1071905026 /nfs/dbraw/zinc/90/50/26/1071905026.db2.gz HYMAYOXYDRCXKP-KRWDZBQOSA-N 1 2 484.479 1.238 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)F ZINC001503618807 1071906644 /nfs/dbraw/zinc/90/66/44/1071906644.db2.gz PWEXHPVPXHTJHL-UHFFFAOYSA-N 1 2 487.349 1.857 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001503618828 1071906709 /nfs/dbraw/zinc/90/67/09/1071906709.db2.gz LLIHEHXBQFHQIY-HXUWFJFHSA-N 1 2 463.604 1.740 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1CCCn1cnnn1 ZINC001503617755 1071903420 /nfs/dbraw/zinc/90/34/20/1071903420.db2.gz AWCRXXOIPDHMDF-UHFFFAOYSA-N 1 2 476.383 1.553 20 0 JDADLO CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2cccn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503618953 1071907332 /nfs/dbraw/zinc/90/73/32/1071907332.db2.gz BLBPXAOXIKUQQS-UHFFFAOYSA-N 1 2 487.630 1.351 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)(F)F ZINC001503618959 1071907350 /nfs/dbraw/zinc/90/73/50/1071907350.db2.gz BOHRMFXJDLCVPI-INIZCTEOSA-N 1 2 483.495 1.382 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)(F)F ZINC001503618961 1071907370 /nfs/dbraw/zinc/90/73/70/1071907370.db2.gz BOHRMFXJDLCVPI-MRXNPFEDSA-N 1 2 483.495 1.382 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 ZINC001503619201 1071908022 /nfs/dbraw/zinc/90/80/22/1071908022.db2.gz NFSWUMIKXASQCV-UHFFFAOYSA-N 1 2 474.697 1.014 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1CCn1cncn1 ZINC001503619280 1071908390 /nfs/dbraw/zinc/90/83/90/1071908390.db2.gz FNJVBBFBBKOBRE-UHFFFAOYSA-N 1 2 479.358 1.907 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001503619745 1071909800 /nfs/dbraw/zinc/90/98/00/1071909800.db2.gz UBJCVJPLVWBERC-OAQYLSRUSA-N 1 2 477.631 1.934 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CCC(=O)NCc1ccccc1 ZINC001503619707 1071909994 /nfs/dbraw/zinc/90/99/94/1071909994.db2.gz SDWIPAAMPVAAMT-OAQYLSRUSA-N 1 2 456.591 1.647 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1Cc1cnnn1C ZINC001503620065 1071910645 /nfs/dbraw/zinc/91/06/45/1071910645.db2.gz NZPURTGLHXHDCC-UHFFFAOYSA-N 1 2 479.358 1.792 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001503620294 1071911378 /nfs/dbraw/zinc/91/13/78/1071911378.db2.gz SWCQLUULRVTABL-KRWDZBQOSA-N 1 2 455.529 1.936 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCCn1cc(Br)cn1 ZINC001503620300 1071911397 /nfs/dbraw/zinc/91/13/97/1071911397.db2.gz UAEIVYQUKWNZIV-UHFFFAOYSA-N 1 2 478.399 1.496 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001503620477 1071912103 /nfs/dbraw/zinc/91/21/03/1071912103.db2.gz BGEPYXDUYWNKLX-HXUWFJFHSA-N 1 2 463.604 1.544 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(C(C)(C)C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503621063 1071913801 /nfs/dbraw/zinc/91/38/01/1071913801.db2.gz MICHQCLYPUDLQI-LJQANCHMSA-N 1 2 464.636 1.462 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(C(C)(C)C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503621063 1071913809 /nfs/dbraw/zinc/91/38/09/1071913809.db2.gz MICHQCLYPUDLQI-LJQANCHMSA-N 1 2 464.636 1.462 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1OCCC1(C)C ZINC001503621759 1071917845 /nfs/dbraw/zinc/91/78/45/1071917845.db2.gz SQHRHVLQPNSJQY-GOSISDBHSA-N 1 2 462.620 1.853 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001503621715 1071917953 /nfs/dbraw/zinc/91/79/53/1071917953.db2.gz RMJAYILLTUGCKY-QGZVFWFLSA-N 1 2 466.583 1.192 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001503621707 1071918116 /nfs/dbraw/zinc/91/81/16/1071918116.db2.gz RIGPWJOMPVUSJJ-UYAOXDASSA-N 1 2 460.554 1.381 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001503621871 1071918731 /nfs/dbraw/zinc/91/87/31/1071918731.db2.gz KGJOVBPANAFOSL-UHFFFAOYSA-N 1 2 469.011 1.449 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(C(C)(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503621062 1071914111 /nfs/dbraw/zinc/91/41/11/1071914111.db2.gz MICHQCLYPUDLQI-IBGZPJMESA-N 1 2 464.636 1.462 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(C(C)(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503621062 1071914123 /nfs/dbraw/zinc/91/41/23/1071914123.db2.gz MICHQCLYPUDLQI-IBGZPJMESA-N 1 2 464.636 1.462 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001503622595 1071922574 /nfs/dbraw/zinc/92/25/74/1071922574.db2.gz PAUCYPJFPQACNR-FQEVSTJZSA-N 1 2 491.662 1.981 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001503622751 1071923585 /nfs/dbraw/zinc/92/35/85/1071923585.db2.gz UUNYLINFFPUKHT-UHFFFAOYSA-N 1 2 472.619 1.703 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc(Cc2ccncc2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001503622788 1071924237 /nfs/dbraw/zinc/92/42/37/1071924237.db2.gz RMJJRRYAFNFAJB-UHFFFAOYSA-N 1 2 466.571 1.483 20 0 JDADLO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001504927977 1071925319 /nfs/dbraw/zinc/92/53/19/1071925319.db2.gz WOYVSKZMTSZLMN-HXUWFJFHSA-N 1 2 472.590 1.181 20 0 JDADLO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001504927977 1071925324 /nfs/dbraw/zinc/92/53/24/1071925324.db2.gz WOYVSKZMTSZLMN-HXUWFJFHSA-N 1 2 472.590 1.181 20 0 JDADLO CN(CCS(C)(=O)=O)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503633454 1071941564 /nfs/dbraw/zinc/94/15/64/1071941564.db2.gz DOFIHWQONXAKHZ-UHFFFAOYSA-N 1 2 457.560 1.101 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001504934914 1071954487 /nfs/dbraw/zinc/95/44/87/1071954487.db2.gz VZKSJRXGGTXXPV-UAFMIMERSA-N 1 2 464.611 1.218 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001504934914 1071954509 /nfs/dbraw/zinc/95/45/09/1071954509.db2.gz VZKSJRXGGTXXPV-UAFMIMERSA-N 1 2 464.611 1.218 20 0 JDADLO CN(CCS(C)(=O)=O)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503638259 1071955747 /nfs/dbraw/zinc/95/57/47/1071955747.db2.gz GVRHQDULMIQOQM-UHFFFAOYSA-N 1 2 462.620 1.772 20 0 JDADLO CN(CCS(C)(=O)=O)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1=CCCOC1 ZINC001503638624 1071956292 /nfs/dbraw/zinc/95/62/92/1071956292.db2.gz KLRMSBMJGZRHIP-UHFFFAOYSA-N 1 2 488.658 1.470 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504948809 1071992199 /nfs/dbraw/zinc/99/21/99/1071992199.db2.gz DKLYFVHEADNBGG-YZZKKUAISA-N 1 2 460.579 1.896 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001504957867 1072002904 /nfs/dbraw/zinc/00/29/04/1072002904.db2.gz NFGNLNNLSLXIRF-KRWDZBQOSA-N 1 2 451.568 1.256 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001504958552 1072003412 /nfs/dbraw/zinc/00/34/12/1072003412.db2.gz OFGUZXNBGFGRER-MJGOQNOKSA-N 1 2 457.579 1.747 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001504961733 1072007325 /nfs/dbraw/zinc/00/73/25/1072007325.db2.gz ZKYFLYZMPXEYIT-MJGOQNOKSA-N 1 2 457.579 1.747 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001504969157 1072018017 /nfs/dbraw/zinc/01/80/17/1072018017.db2.gz BMNUUBQZYXULLM-SQNIBIBYSA-N 1 2 466.608 1.708 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001504969509 1072018355 /nfs/dbraw/zinc/01/83/55/1072018355.db2.gz DSCDTEPBOBALDG-GOSISDBHSA-N 1 2 464.611 1.219 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001504969509 1072018370 /nfs/dbraw/zinc/01/83/70/1072018370.db2.gz DSCDTEPBOBALDG-GOSISDBHSA-N 1 2 464.611 1.219 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504969885 1072019676 /nfs/dbraw/zinc/01/96/76/1072019676.db2.gz HWLWYLINJQTWEZ-INIZCTEOSA-N 1 2 486.577 1.032 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC[C@](C)(OC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504971468 1072022641 /nfs/dbraw/zinc/02/26/41/1072022641.db2.gz CGASMWXMKYXWAA-GCJKJVERSA-N 1 2 452.600 1.172 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCc3ccc(O)cc3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504970707 1072021493 /nfs/dbraw/zinc/02/14/93/1072021493.db2.gz DESCFYRAVMDCDI-SFHVURJKSA-N 1 2 472.590 1.435 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001504979626 1072029573 /nfs/dbraw/zinc/02/95/73/1072029573.db2.gz MMOUTVWLWMPQGV-XQFWAAQXSA-N 1 2 496.678 1.315 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503693407 1072030692 /nfs/dbraw/zinc/03/06/92/1072030692.db2.gz KZSZSVNLYPCCEP-UHFFFAOYSA-N 1 2 482.427 1.587 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1Cc1c[nH+]ccc1OC ZINC001504982452 1072032099 /nfs/dbraw/zinc/03/20/99/1072032099.db2.gz ICAVGBBUSIPFQS-KRWDZBQOSA-N 1 2 458.563 1.903 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504983233 1072033282 /nfs/dbraw/zinc/03/32/82/1072033282.db2.gz KEZCKFBSWWQJOA-QZTJIDSGSA-N 1 2 478.560 1.797 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCc1cn2ccccc2[nH+]1 ZINC001504985940 1072036188 /nfs/dbraw/zinc/03/61/88/1072036188.db2.gz BORIKMCHUFDBEV-ROUUACIJSA-N 1 2 455.563 1.950 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001503700589 1072041533 /nfs/dbraw/zinc/04/15/33/1072041533.db2.gz HGSPSLWIWLGTIK-JOCHJYFZSA-N 1 2 498.676 1.267 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001503700590 1072041565 /nfs/dbraw/zinc/04/15/65/1072041565.db2.gz HGSPSLWIWLGTIK-QFIPXVFZSA-N 1 2 498.676 1.267 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C)nc1 ZINC001504988031 1072041911 /nfs/dbraw/zinc/04/19/11/1072041911.db2.gz MDJKACGINWJXMF-NHCUHLMSSA-N 1 2 485.633 1.887 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503701822 1072042705 /nfs/dbraw/zinc/04/27/05/1072042705.db2.gz QDHDZTCHMAYOBJ-LJQANCHMSA-N 1 2 482.633 1.169 20 0 JDADLO CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001503702378 1072043631 /nfs/dbraw/zinc/04/36/31/1072043631.db2.gz DFSOLQOJNISAHC-KRWDZBQOSA-N 1 2 452.563 1.528 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504991087 1072051239 /nfs/dbraw/zinc/05/12/39/1072051239.db2.gz YPFCVDSNYLXZQR-RCCFBDPRSA-N 1 2 478.560 1.796 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504991087 1072051246 /nfs/dbraw/zinc/05/12/46/1072051246.db2.gz YPFCVDSNYLXZQR-RCCFBDPRSA-N 1 2 478.560 1.796 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504991084 1072051347 /nfs/dbraw/zinc/05/13/47/1072051347.db2.gz YPFCVDSNYLXZQR-KSZLIROESA-N 1 2 478.560 1.796 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504991084 1072051356 /nfs/dbraw/zinc/05/13/56/1072051356.db2.gz YPFCVDSNYLXZQR-KSZLIROESA-N 1 2 478.560 1.796 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504992067 1072055615 /nfs/dbraw/zinc/05/56/15/1072055615.db2.gz XKUQDJSJOPJAHM-ICSRJNTNSA-N 1 2 487.605 1.339 20 0 JDADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503712307 1072052523 /nfs/dbraw/zinc/05/25/23/1072052523.db2.gz HMVCMTHWIZEJFD-KRWDZBQOSA-N 1 2 464.574 1.747 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@H]1COCCO1 ZINC001504993893 1072061167 /nfs/dbraw/zinc/06/11/67/1072061167.db2.gz FTMZNXNYFUDXIA-NQIIRXRSSA-N 1 2 463.554 1.879 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1cccc(C(N)=O)c1 ZINC001504994399 1072061909 /nfs/dbraw/zinc/06/19/09/1072061909.db2.gz OAFBMPMKXGSZSO-QGZVFWFLSA-N 1 2 480.573 1.574 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001504995859 1072066323 /nfs/dbraw/zinc/06/63/23/1072066323.db2.gz VYRWZSAQCHNMLC-ROUUACIJSA-N 1 2 457.579 1.638 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001504997567 1072071528 /nfs/dbraw/zinc/07/15/28/1072071528.db2.gz YIWDDMDLBOFZET-AABGKKOBSA-N 1 2 485.651 1.128 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001505005406 1072086321 /nfs/dbraw/zinc/08/63/21/1072086321.db2.gz BHZNRTSSLKGMHW-GBESFXJTSA-N 1 2 464.611 1.170 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001505005406 1072086332 /nfs/dbraw/zinc/08/63/32/1072086332.db2.gz BHZNRTSSLKGMHW-GBESFXJTSA-N 1 2 464.611 1.170 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@@H](OC)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001505005978 1072086375 /nfs/dbraw/zinc/08/63/75/1072086375.db2.gz DXCYPFPUIOVCQP-OPYAIIAOSA-N 1 2 455.625 1.435 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001505006390 1072086893 /nfs/dbraw/zinc/08/68/93/1072086893.db2.gz HHBROQLDTAPCPX-QYZOEREBSA-N 1 2 482.626 1.826 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505007106 1072087964 /nfs/dbraw/zinc/08/79/64/1072087964.db2.gz SQBXBJAHFWMBHT-GHTZIAJQSA-N 1 2 476.578 1.337 20 0 JDADLO COCCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001505031055 1072123984 /nfs/dbraw/zinc/12/39/84/1072123984.db2.gz GSKGLEPYOIIBOT-KSZLIROESA-N 1 2 483.660 1.786 20 0 JDADLO COCCOCCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001505050367 1072147603 /nfs/dbraw/zinc/14/76/03/1072147603.db2.gz PVFQPCVNPLSGCA-IBGZPJMESA-N 1 2 459.595 1.080 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001505058876 1072160873 /nfs/dbraw/zinc/16/08/73/1072160873.db2.gz SNUCBJBYCNKFPU-QMMLZNLJSA-N 1 2 472.590 1.458 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001505058876 1072160877 /nfs/dbraw/zinc/16/08/77/1072160877.db2.gz SNUCBJBYCNKFPU-QMMLZNLJSA-N 1 2 472.590 1.458 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001505058877 1072160973 /nfs/dbraw/zinc/16/09/73/1072160973.db2.gz SNUCBJBYCNKFPU-YYWHXJBOSA-N 1 2 472.590 1.458 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001505058877 1072160983 /nfs/dbraw/zinc/16/09/83/1072160983.db2.gz SNUCBJBYCNKFPU-YYWHXJBOSA-N 1 2 472.590 1.458 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001505054766 1072155777 /nfs/dbraw/zinc/15/57/77/1072155777.db2.gz JGTQBMXDXYQCEM-LNLFQRSKSA-N 1 2 464.592 1.523 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(=O)OC)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001505068858 1072174162 /nfs/dbraw/zinc/17/41/62/1072174162.db2.gz QVXDBPZTQVPZHF-BZSNNMDCSA-N 1 2 451.568 1.112 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(=O)OC)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001505068858 1072174166 /nfs/dbraw/zinc/17/41/66/1072174166.db2.gz QVXDBPZTQVPZHF-BZSNNMDCSA-N 1 2 451.568 1.112 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC(=O)NCC(F)(F)F ZINC001505070610 1072177640 /nfs/dbraw/zinc/17/76/40/1072177640.db2.gz IZRRUVQMKZJDTG-YJBOKZPZSA-N 1 2 497.522 1.704 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001505073582 1072184626 /nfs/dbraw/zinc/18/46/26/1072184626.db2.gz ZXTFUXQTOYFQBQ-ULQDDVLXSA-N 1 2 477.528 1.616 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001505072760 1072182597 /nfs/dbraw/zinc/18/25/97/1072182597.db2.gz UBOQMUFJCRABSF-IKGGRYGDSA-N 1 2 477.528 1.616 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001505072760 1072182602 /nfs/dbraw/zinc/18/26/02/1072182602.db2.gz UBOQMUFJCRABSF-IKGGRYGDSA-N 1 2 477.528 1.616 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001505077790 1072192077 /nfs/dbraw/zinc/19/20/77/1072192077.db2.gz YPALUSSCRZFDGO-ZJOUEHCJSA-N 1 2 492.646 1.915 20 0 JDADLO CON(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001505093111 1072231499 /nfs/dbraw/zinc/23/14/99/1072231499.db2.gz YLGKQMVMUQHBKA-UHFFFAOYSA-N 1 2 458.544 1.626 20 0 JDADLO CO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001505099806 1072234853 /nfs/dbraw/zinc/23/48/53/1072234853.db2.gz RNNKAPRIAVWXKA-JJRVBVJISA-N 1 2 472.562 1.695 20 0 JDADLO CON(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505101191 1072235850 /nfs/dbraw/zinc/23/58/50/1072235850.db2.gz XZFPLUYIJVSTLB-KRWDZBQOSA-N 1 2 451.572 1.512 20 0 JDADLO CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1OC ZINC001505115616 1072256571 /nfs/dbraw/zinc/25/65/71/1072256571.db2.gz OQOGZKCWAQTJHS-FFZOFVMBSA-N 1 2 489.602 1.031 20 0 JDADLO CO[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1OC ZINC001505119089 1072262447 /nfs/dbraw/zinc/26/24/47/1072262447.db2.gz KUVWVITXDFCGLY-YSGRDPCXSA-N 1 2 451.518 1.718 20 0 JDADLO CS(=O)(=O)[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)C1 ZINC001505122783 1072274944 /nfs/dbraw/zinc/27/49/44/1072274944.db2.gz ABHGMIGWJWRRQT-IAGOWNOFSA-N 1 2 461.592 1.530 20 0 JDADLO CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001505121615 1072270899 /nfs/dbraw/zinc/27/08/99/1072270899.db2.gz JHCYKECRSHUEGN-HXUWFJFHSA-N 1 2 495.671 1.848 20 0 JDADLO CS(=O)(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCSCC2)CC1 ZINC001505128094 1072290433 /nfs/dbraw/zinc/29/04/33/1072290433.db2.gz YLKVZHDLIHCBNR-UHFFFAOYSA-N 1 2 450.634 1.326 20 0 JDADLO CS(=O)(=O)CCOCCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001505136282 1072321232 /nfs/dbraw/zinc/32/12/32/1072321232.db2.gz BOIIVWCDVZTBBU-IBGZPJMESA-N 1 2 498.049 1.819 20 0 JDADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC001464727847 1067638663 /nfs/dbraw/zinc/63/86/63/1067638663.db2.gz MBVDKGUGRKDVAK-LJQANCHMSA-N 1 2 451.589 1.068 20 0 JDADLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC001464727847 1067638678 /nfs/dbraw/zinc/63/86/78/1067638678.db2.gz MBVDKGUGRKDVAK-LJQANCHMSA-N 1 2 451.589 1.068 20 0 JDADLO COc1ccc(CC(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)cc1O ZINC001464746550 1067646287 /nfs/dbraw/zinc/64/62/87/1067646287.db2.gz JHZAVPVRORCYAZ-UHFFFAOYSA-N 1 2 455.555 1.845 20 0 JDADLO Cc1occc1-c1cc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n(CCO)n1 ZINC001464785182 1067657369 /nfs/dbraw/zinc/65/73/69/1067657369.db2.gz NXSGBUMECXDSHC-UHFFFAOYSA-N 1 2 452.515 1.906 20 0 JDADLO CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001464847916 1067675417 /nfs/dbraw/zinc/67/54/17/1067675417.db2.gz DBSSYFWEBRVMMM-SFHVURJKSA-N 1 2 451.932 1.558 20 0 JDADLO CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001464852376 1067676729 /nfs/dbraw/zinc/67/67/29/1067676729.db2.gz CLBYJQXAUAJJFF-UHFFFAOYSA-N 1 2 455.519 1.903 20 0 JDADLO CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001464870096 1067679008 /nfs/dbraw/zinc/67/90/08/1067679008.db2.gz OLLRANVGSSTIGY-HXUWFJFHSA-N 1 2 459.572 1.768 20 0 JDADLO CC(C)N1C(=S)N=NC1C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001464884708 1067684388 /nfs/dbraw/zinc/68/43/88/1067684388.db2.gz OZDCOGOHLJVGPR-QGZVFWFLSA-N 1 2 450.609 1.034 20 0 JDADLO COc1ccc(-c2cc(C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)nn2C)cc1OC ZINC001464892674 1067688052 /nfs/dbraw/zinc/68/80/52/1067688052.db2.gz JDYVNWHGAGINQE-UHFFFAOYSA-N 1 2 455.559 1.875 20 0 JDADLO COc1ccc(-c2cc(C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)nn2C)cc1OC ZINC001464892674 1067688060 /nfs/dbraw/zinc/68/80/60/1067688060.db2.gz JDYVNWHGAGINQE-UHFFFAOYSA-N 1 2 455.559 1.875 20 0 JDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001464898865 1067690703 /nfs/dbraw/zinc/69/07/03/1067690703.db2.gz XVEKXSIXASGHEB-UHFFFAOYSA-N 1 2 454.612 1.805 20 0 JDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001464898865 1067690709 /nfs/dbraw/zinc/69/07/09/1067690709.db2.gz XVEKXSIXASGHEB-UHFFFAOYSA-N 1 2 454.612 1.805 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC001464904834 1067694427 /nfs/dbraw/zinc/69/44/27/1067694427.db2.gz LNZMWJQCLIPMIE-INIZCTEOSA-N 1 2 459.362 1.156 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC001464904872 1067694550 /nfs/dbraw/zinc/69/45/50/1067694550.db2.gz LRYAMHGLZDEISE-HXUWFJFHSA-N 1 2 451.589 1.803 20 0 JDADLO CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001464904461 1067694709 /nfs/dbraw/zinc/69/47/09/1067694709.db2.gz JKTSLAFHYIJGPG-LJQANCHMSA-N 1 2 456.584 1.419 20 0 JDADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001464922333 1067702330 /nfs/dbraw/zinc/70/23/30/1067702330.db2.gz GCIXCCMQDDJFAZ-HNNXBMFYSA-N 1 2 452.483 1.445 20 0 JDADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001464922333 1067702353 /nfs/dbraw/zinc/70/23/53/1067702353.db2.gz GCIXCCMQDDJFAZ-HNNXBMFYSA-N 1 2 452.483 1.445 20 0 JDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001464924688 1067702682 /nfs/dbraw/zinc/70/26/82/1067702682.db2.gz SQILVVRSDMWPHI-INIZCTEOSA-N 1 2 455.581 1.610 20 0 JDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001464924688 1067702701 /nfs/dbraw/zinc/70/27/01/1067702701.db2.gz SQILVVRSDMWPHI-INIZCTEOSA-N 1 2 455.581 1.610 20 0 JDADLO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC001464973257 1067718299 /nfs/dbraw/zinc/71/82/99/1067718299.db2.gz PVRBHUCLTCYYSD-UHFFFAOYSA-N 1 2 452.577 1.704 20 0 JDADLO C[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@H](C)[NH+]1CCOCC1 ZINC001464977818 1067718497 /nfs/dbraw/zinc/71/84/97/1067718497.db2.gz ZXQNOIORKNFPPM-CABCVRRESA-N 1 2 451.365 1.745 20 0 JDADLO COc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1S(=O)(=O)N1CCCCC1 ZINC001464994118 1067722144 /nfs/dbraw/zinc/72/21/44/1067722144.db2.gz QHWQBWWVXCEHCM-HDICACEKSA-N 1 2 452.577 1.855 20 0 JDADLO COc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1S(=O)(=O)N1CCCCC1 ZINC001464994118 1067722154 /nfs/dbraw/zinc/72/21/54/1067722154.db2.gz QHWQBWWVXCEHCM-HDICACEKSA-N 1 2 452.577 1.855 20 0 JDADLO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001465000081 1067723941 /nfs/dbraw/zinc/72/39/41/1067723941.db2.gz BBTDCPISVKUKSF-VQIMIIECSA-N 1 2 455.625 1.872 20 0 JDADLO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001465000081 1067723956 /nfs/dbraw/zinc/72/39/56/1067723956.db2.gz BBTDCPISVKUKSF-VQIMIIECSA-N 1 2 455.625 1.872 20 0 JDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)CC1 ZINC001465005107 1067727038 /nfs/dbraw/zinc/72/70/38/1067727038.db2.gz NQWGTAZBOUYLDB-XDHUDOTRSA-N 1 2 458.559 1.896 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001465207981 1067761374 /nfs/dbraw/zinc/76/13/74/1067761374.db2.gz URGNMAFHYRBEKJ-VQIMIIECSA-N 1 2 453.609 1.626 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001465207981 1067761393 /nfs/dbraw/zinc/76/13/93/1067761393.db2.gz URGNMAFHYRBEKJ-VQIMIIECSA-N 1 2 453.609 1.626 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](C)Cn3cc[nH+]c3)CC2)cc1OC ZINC001465315031 1067778353 /nfs/dbraw/zinc/77/83/53/1067778353.db2.gz XIRBDLKDGYESPL-INIZCTEOSA-N 1 2 450.561 1.754 20 0 JDADLO COc1ccc(-c2nc(C)sc2CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001465379104 1067790253 /nfs/dbraw/zinc/79/02/53/1067790253.db2.gz GOTMKWOHVXBOJY-SFHVURJKSA-N 1 2 458.584 1.719 20 0 JDADLO Cc1cc(Br)ccc1SCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465378661 1067790288 /nfs/dbraw/zinc/79/02/88/1067790288.db2.gz ZRTUQFBEAMXZRP-MRXNPFEDSA-N 1 2 456.406 1.899 20 0 JDADLO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001465378142 1067790447 /nfs/dbraw/zinc/79/04/47/1067790447.db2.gz RICSQEBENHPMOE-QGZVFWFLSA-N 1 2 454.365 1.899 20 0 JDADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379291 1067790890 /nfs/dbraw/zinc/79/08/90/1067790890.db2.gz MIEQLQCOXWHLKA-GDBMZVCRSA-N 1 2 456.406 1.979 20 0 JDADLO O=C([C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC001465397088 1067794991 /nfs/dbraw/zinc/79/49/91/1067794991.db2.gz ZKEXEPVSDOLKFR-QGZVFWFLSA-N 1 2 450.465 1.490 20 0 JDADLO CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1c(F)cccc1F ZINC001465397894 1067795272 /nfs/dbraw/zinc/79/52/72/1067795272.db2.gz CIHQCXGJASRFSH-SFHVURJKSA-N 1 2 450.490 1.967 20 0 JDADLO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Oc1ccc(Br)cc1 ZINC001465417395 1067797146 /nfs/dbraw/zinc/79/71/46/1067797146.db2.gz XNORDYFCHFJOMG-HOTGVXAUSA-N 1 2 454.365 1.513 20 0 JDADLO C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Oc1ccc(Br)cc1 ZINC001465417394 1067797350 /nfs/dbraw/zinc/79/73/50/1067797350.db2.gz XNORDYFCHFJOMG-CVEARBPZSA-N 1 2 454.365 1.513 20 0 JDADLO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Oc1ccc(Br)cc1 ZINC001465417397 1067797567 /nfs/dbraw/zinc/79/75/67/1067797567.db2.gz XNORDYFCHFJOMG-JKSUJKDBSA-N 1 2 454.365 1.513 20 0 JDADLO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001465474158 1067803942 /nfs/dbraw/zinc/80/39/42/1067803942.db2.gz FETZBCSWOKWPLH-UHFFFAOYSA-N 1 2 454.471 1.472 20 0 JDADLO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC001465528264 1067807915 /nfs/dbraw/zinc/80/79/15/1067807915.db2.gz NNUSGZYBKVUXER-NSHGMRRFSA-N 1 2 451.589 1.421 20 0 JDADLO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC001465528794 1067808177 /nfs/dbraw/zinc/80/81/77/1067808177.db2.gz YYUSGQIDJCWUFG-QVKFZJNVSA-N 1 2 452.914 1.569 20 0 JDADLO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC001465528796 1067808191 /nfs/dbraw/zinc/80/81/91/1067808191.db2.gz YYUSGQIDJCWUFG-YCRPNKLZSA-N 1 2 452.914 1.569 20 0 JDADLO C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001465599747 1067813817 /nfs/dbraw/zinc/81/38/17/1067813817.db2.gz HTTGBFGBPGDVLL-CEXWTWQISA-N 1 2 452.596 1.319 20 0 JDADLO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001465599748 1067813846 /nfs/dbraw/zinc/81/38/46/1067813846.db2.gz HTTGBFGBPGDVLL-GUDVDZBRSA-N 1 2 452.596 1.319 20 0 JDADLO 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C[N@H+]1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781623 1067829494 /nfs/dbraw/zinc/82/94/94/1067829494.db2.gz AUIPIZXFKZMMIN-SJORKVTESA-N 1 2 456.584 1.680 20 0 JDADLO C[N@@H+]1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781622 1067829584 /nfs/dbraw/zinc/82/95/84/1067829584.db2.gz AUIPIZXFKZMMIN-IRXDYDNUSA-N 1 2 456.584 1.680 20 0 JDADLO C[N@H+]1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781622 1067829589 /nfs/dbraw/zinc/82/95/89/1067829589.db2.gz AUIPIZXFKZMMIN-IRXDYDNUSA-N 1 2 456.584 1.680 20 0 JDADLO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001465782457 1067829814 /nfs/dbraw/zinc/82/98/14/1067829814.db2.gz WXBPHQNFGQMIOS-HNNXBMFYSA-N 1 2 457.535 1.157 20 0 JDADLO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001465782457 1067829817 /nfs/dbraw/zinc/82/98/17/1067829817.db2.gz WXBPHQNFGQMIOS-HNNXBMFYSA-N 1 2 457.535 1.157 20 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COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC001466487480 1067888629 /nfs/dbraw/zinc/88/86/29/1067888629.db2.gz IGEBNKCLFXNSKX-INIZCTEOSA-N 1 2 457.531 1.892 20 0 JDADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CNS(=O)(=O)c2ccccc2F)c2ccc(Cl)cc2)C1 ZINC001466561292 1067892811 /nfs/dbraw/zinc/89/28/11/1067892811.db2.gz BYEMFCPTVHLNJZ-PXNSSMCTSA-N 1 2 455.939 1.946 20 0 JDADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CNS(=O)(=O)c2ccccc2F)c2ccc(Cl)cc2)C1 ZINC001466561292 1067892815 /nfs/dbraw/zinc/89/28/15/1067892815.db2.gz BYEMFCPTVHLNJZ-PXNSSMCTSA-N 1 2 455.939 1.946 20 0 JDADLO CCOC(=O)CN1c2ccc(NC(=O)N[C@@H](CC)C[NH+]3CCOCC3)cc2C(F)(F)C1=O ZINC001466644982 1067896998 /nfs/dbraw/zinc/89/69/98/1067896998.db2.gz VFNPTHVBPCWJRI-AWEZNQCLSA-N 1 2 454.474 1.920 20 0 JDADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001466791806 1067921768 /nfs/dbraw/zinc/92/17/68/1067921768.db2.gz AAEXROUOHMQVMR-RBUKOAKNSA-N 1 2 452.596 1.415 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001466825293 1067927325 /nfs/dbraw/zinc/92/73/25/1067927325.db2.gz UCGFIVQJSGXTBK-NRFANRHFSA-N 1 2 454.593 1.501 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001466825293 1067927349 /nfs/dbraw/zinc/92/73/49/1067927349.db2.gz UCGFIVQJSGXTBK-NRFANRHFSA-N 1 2 454.593 1.501 20 0 JDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001466827132 1067927993 /nfs/dbraw/zinc/92/79/93/1067927993.db2.gz HVWFFOHXFINAIP-AWEZNQCLSA-N 1 2 455.378 1.942 20 0 JDADLO CCOC1CC(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)([NH+]2CCOCC2)C1 ZINC001466834245 1067930176 /nfs/dbraw/zinc/93/01/76/1067930176.db2.gz ZXEHSCGFBQWKNY-UHFFFAOYSA-N 1 2 454.593 1.637 20 0 JDADLO COc1cc(C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)sc1S(N)(=O)=O ZINC001466952383 1067953235 /nfs/dbraw/zinc/95/32/35/1067953235.db2.gz ZCQYGWVRVDXCMF-UHFFFAOYSA-N 1 2 452.558 1.321 20 0 JDADLO CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001466952667 1067953600 /nfs/dbraw/zinc/95/36/00/1067953600.db2.gz CXISBHOYMGCCDH-UHFFFAOYSA-N 1 2 458.584 1.830 20 0 JDADLO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001546159748 1067966265 /nfs/dbraw/zinc/96/62/65/1067966265.db2.gz VEQUFUSFYQVRTQ-UXHICEINSA-N 1 2 476.647 1.905 20 0 JDADLO CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001546159750 1067966387 /nfs/dbraw/zinc/96/63/87/1067966387.db2.gz VEQUFUSFYQVRTQ-WOJBJXKFSA-N 1 2 476.647 1.905 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Nc3cnc4ccnn4c3)cc2)CC1 ZINC001467083767 1067967317 /nfs/dbraw/zinc/96/73/17/1067967317.db2.gz XNPJJXKZEQETHZ-UHFFFAOYSA-N 1 2 451.531 1.636 20 0 JDADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001467318405 1068002059 /nfs/dbraw/zinc/00/20/59/1068002059.db2.gz VLFHLMPIEIGNGF-GJZGRUSLSA-N 1 2 450.586 1.419 20 0 JDADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001467337459 1068003972 /nfs/dbraw/zinc/00/39/72/1068003972.db2.gz CWWLAAAPPITYTD-LJQANCHMSA-N 1 2 455.563 1.663 20 0 JDADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001467337458 1068004187 /nfs/dbraw/zinc/00/41/87/1068004187.db2.gz CWWLAAAPPITYTD-IBGZPJMESA-N 1 2 455.563 1.663 20 0 JDADLO CN1CC[NH+](Cc2ccc(C(=O)NCCNS(=O)(=O)c3ccc(F)cc3F)cc2)CC1 ZINC001467382988 1068010246 /nfs/dbraw/zinc/01/02/46/1068010246.db2.gz MIGFEIXKCHMKNT-UHFFFAOYSA-N 1 2 452.527 1.421 20 0 JDADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC001467470191 1068020114 /nfs/dbraw/zinc/02/01/14/1068020114.db2.gz GRISVCXBYZJBRC-CQSZACIVSA-N 1 2 455.353 1.894 20 0 JDADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC001467470191 1068020130 /nfs/dbraw/zinc/02/01/30/1068020130.db2.gz GRISVCXBYZJBRC-CQSZACIVSA-N 1 2 455.353 1.894 20 0 JDADLO COc1cccc(Cn2cccc(NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)c2=O)n1 ZINC001467530099 1068027713 /nfs/dbraw/zinc/02/77/13/1068027713.db2.gz WIACYIYCPPIXHI-JOCHJYFZSA-N 1 2 459.572 1.630 20 0 JDADLO NC(=O)c1cc(F)ccc1N1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001467583971 1068032239 /nfs/dbraw/zinc/03/22/39/1068032239.db2.gz FYNJEBCDJUYXGD-FQEVSTJZSA-N 1 2 455.534 1.657 20 0 JDADLO NC(=O)c1cc(F)ccc1N1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001467583971 1068032259 /nfs/dbraw/zinc/03/22/59/1068032259.db2.gz FYNJEBCDJUYXGD-FQEVSTJZSA-N 1 2 455.534 1.657 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(CCO)CCCCC1 ZINC001467646492 1068042852 /nfs/dbraw/zinc/04/28/52/1068042852.db2.gz HQNSDWGQACGLIT-UHFFFAOYSA-N 1 2 453.609 1.166 20 0 JDADLO C[C@@](CO)(NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC001467647706 1068044792 /nfs/dbraw/zinc/04/47/92/1068044792.db2.gz VVWCZEATBGSEGB-NRFANRHFSA-N 1 2 453.609 1.164 20 0 JDADLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001467670398 1068049691 /nfs/dbraw/zinc/04/96/91/1068049691.db2.gz UEMMZYZARDGMFB-DOTOQJQBSA-N 1 2 455.386 1.869 20 0 JDADLO CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001467668960 1068049778 /nfs/dbraw/zinc/04/97/78/1068049778.db2.gz WBFPEOHWOMDZSB-GTJUCTONSA-N 1 2 458.588 1.059 20 0 JDADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC001467680810 1068051112 /nfs/dbraw/zinc/05/11/12/1068051112.db2.gz OOPABQQHMJZVQB-DOTOQJQBSA-N 1 2 459.996 1.590 20 0 JDADLO CS(=O)(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C(F)(F)F ZINC001467726546 1068058153 /nfs/dbraw/zinc/05/81/53/1068058153.db2.gz YZYMBOAHSFFPGS-QZTJIDSGSA-N 1 2 462.538 1.816 20 0 JDADLO O=C(N[C@H]1CSc2ccc(Br)cc21)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001467736211 1068059106 /nfs/dbraw/zinc/05/91/06/1068059106.db2.gz XJIDUUOQNPPTCC-BBRMVZONSA-N 1 2 454.390 1.893 20 0 JDADLO CC(=O)Nc1cccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC001467811419 1068068592 /nfs/dbraw/zinc/06/85/92/1068068592.db2.gz HXQVJXVTANMTBX-FQEVSTJZSA-N 1 2 453.547 1.740 20 0 JDADLO CC(=O)Nc1cccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC001467811419 1068068610 /nfs/dbraw/zinc/06/86/10/1068068610.db2.gz HXQVJXVTANMTBX-FQEVSTJZSA-N 1 2 453.547 1.740 20 0 JDADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001467879101 1068083519 /nfs/dbraw/zinc/08/35/19/1068083519.db2.gz IULTUMLVLYZNNB-ROUUACIJSA-N 1 2 458.625 1.202 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3COCCN3CC(F)(F)F)C2)CC1 ZINC001467880044 1068083750 /nfs/dbraw/zinc/08/37/50/1068083750.db2.gz OJTHXKJAJNEZOO-HZPDHXFCSA-N 1 2 450.502 1.403 20 0 JDADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)CC3CC3)c1F)C2 ZINC001467891178 1068085587 /nfs/dbraw/zinc/08/55/87/1068085587.db2.gz KVHJIHOECAPDME-CQSZACIVSA-N 1 2 453.511 1.933 20 0 JDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cnccc2C(F)(F)F)CC3)CC1 ZINC001467900917 1068087725 /nfs/dbraw/zinc/08/77/25/1068087725.db2.gz KSOIHWAOZSPUAM-AWEZNQCLSA-N 1 2 450.465 1.677 20 0 JDADLO Cc1ccc([C@H](C)[C@@H](O)C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467900920 1068088189 /nfs/dbraw/zinc/08/81/89/1068088189.db2.gz KYKXTUOYNNAYNI-SFYKDHMMSA-N 1 2 453.587 1.422 20 0 JDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCCOCc2ccccc2)CC3)CC1 ZINC001467901250 1068088470 /nfs/dbraw/zinc/08/84/70/1068088470.db2.gz OCUZTVWICZNEAS-OAQYLSRUSA-N 1 2 453.587 1.946 20 0 JDADLO Cc1c(Cl)cccc1OCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001467901931 1068089633 /nfs/dbraw/zinc/08/96/33/1068089633.db2.gz ZCXXPUYUXZNLAM-KRWDZBQOSA-N 1 2 459.978 1.990 20 0 JDADLO COc1cc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc(OC)c1C ZINC001467901887 1068089783 /nfs/dbraw/zinc/08/97/83/1068089783.db2.gz XHWMAZDVSUFCCP-QGZVFWFLSA-N 1 2 455.559 1.589 20 0 JDADLO CC[C@@](O)(CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1ccccc1 ZINC001467901911 1068089839 /nfs/dbraw/zinc/08/98/39/1068089839.db2.gz YOLMYLASKJGZOG-UQBPGWFLSA-N 1 2 453.587 1.637 20 0 JDADLO Cn1ccnc1[C@@H](O)C1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC001467904247 1068090329 /nfs/dbraw/zinc/09/03/29/1068090329.db2.gz IOJDYFZUTHQNSL-QFIPXVFZSA-N 1 2 454.575 1.978 20 0 JDADLO CC(C)CN1C[C@@H]2CN(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)CCN2C1=O ZINC001467904488 1068090596 /nfs/dbraw/zinc/09/05/96/1068090596.db2.gz KEXUOOOQGKWQPD-NRFANRHFSA-N 1 2 456.591 1.877 20 0 JDADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 ZINC001467928405 1068095540 /nfs/dbraw/zinc/09/55/40/1068095540.db2.gz ACPFRUJUMBGRTN-WMZOPIPTSA-N 1 2 458.563 1.732 20 0 JDADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001467929126 1068095772 /nfs/dbraw/zinc/09/57/72/1068095772.db2.gz GFMZQZIYSIMHMO-ZIAGYGMSSA-N 1 2 451.467 1.185 20 0 JDADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001467929124 1068096203 /nfs/dbraw/zinc/09/62/03/1068096203.db2.gz GFMZQZIYSIMHMO-UONOGXRCSA-N 1 2 451.467 1.185 20 0 JDADLO O=C(CN1CCS(=O)(=O)CC1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001467954705 1068116379 /nfs/dbraw/zinc/11/63/79/1068116379.db2.gz KJUYNSHJJGQZPC-UHFFFAOYSA-N 1 2 455.378 1.405 20 0 JDADLO COC(=O)c1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1OC ZINC001467960137 1068116568 /nfs/dbraw/zinc/11/65/68/1068116568.db2.gz PGWOXFKVHIYCIS-MRXNPFEDSA-N 1 2 450.536 1.832 20 0 JDADLO COC(=O)c1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1OC ZINC001467960137 1068116614 /nfs/dbraw/zinc/11/66/14/1068116614.db2.gz PGWOXFKVHIYCIS-MRXNPFEDSA-N 1 2 450.536 1.832 20 0 JDADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001467969558 1068124737 /nfs/dbraw/zinc/12/47/37/1068124737.db2.gz WRNQFXSKULUSQS-UHFFFAOYSA-N 1 2 455.437 1.343 20 0 JDADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC001468035471 1068149016 /nfs/dbraw/zinc/14/90/16/1068149016.db2.gz FVMZQQQQTHAQDI-UHFFFAOYSA-N 1 2 451.568 1.346 20 0 JDADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1 ZINC001468185118 1068198450 /nfs/dbraw/zinc/19/84/50/1068198450.db2.gz FHGZTGHHVWIJLL-NQIIRXRSSA-N 1 2 459.616 1.771 20 0 JDADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC001468185118 1068198500 /nfs/dbraw/zinc/19/85/00/1068198500.db2.gz FHGZTGHHVWIJLL-NQIIRXRSSA-N 1 2 459.616 1.771 20 0 JDADLO COc1cc(OC)cc(N2CC[C@@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)c1 ZINC001468261872 1068216115 /nfs/dbraw/zinc/21/61/15/1068216115.db2.gz SCWNGBATPFHXIU-VGOFRKELSA-N 1 2 450.605 1.790 20 0 JDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCN(CCc2cnccn2)CC1 ZINC001468287137 1068224636 /nfs/dbraw/zinc/22/46/36/1068224636.db2.gz QPLZVKVJNSEHKW-UHFFFAOYSA-N 1 2 454.575 1.258 20 0 JDADLO 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/nfs/dbraw/zinc/23/84/51/1069238451.db2.gz FAUCCVVXSRXBQO-UHFFFAOYSA-N 1 2 458.300 1.790 20 0 JDADLO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001500364881 1069240913 /nfs/dbraw/zinc/24/09/13/1069240913.db2.gz GBQKBAWVTKUCSL-QUCCMNQESA-N 1 2 475.638 1.425 20 0 JDADLO COc1cc(C[NH+]2CCN(Cc3ccc(S(N)(=O)=O)cc3F)CC2)cc(OC)c1OC ZINC001474309688 1069241936 /nfs/dbraw/zinc/24/19/36/1069241936.db2.gz GIRJVZQMFBONTO-UHFFFAOYSA-N 1 2 453.536 1.817 20 0 JDADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001474335176 1069242289 /nfs/dbraw/zinc/24/22/89/1069242289.db2.gz KYNACHNFWYUKNR-HZPDHXFCSA-N 1 2 454.534 1.991 20 0 JDADLO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001500389553 1069243439 /nfs/dbraw/zinc/24/34/39/1069243439.db2.gz NHNCAESYYCQHDD-FQEVSTJZSA-N 1 2 493.653 1.987 20 0 JDADLO CCOC(=O)Cn1cc(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)c(-c2cccnc2)n1 ZINC001474406782 1069244516 /nfs/dbraw/zinc/24/45/16/1069244516.db2.gz NWLXJOSLJDQODA-UHFFFAOYSA-N 1 2 454.575 1.638 20 0 JDADLO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC001474619786 1069248229 /nfs/dbraw/zinc/24/82/29/1069248229.db2.gz IWULQOPHNCPPGP-CABCVRRESA-N 1 2 450.351 1.601 20 0 JDADLO C[NH+](C)[C@H](CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccco1 ZINC001474772490 1069252061 /nfs/dbraw/zinc/25/20/61/1069252061.db2.gz PUJRMTZTILLIGG-RBUKOAKNSA-N 1 2 451.545 1.839 20 0 JDADLO Cc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)c(C)c1C ZINC001474787733 1069255134 /nfs/dbraw/zinc/25/51/34/1069255134.db2.gz NSNAVFOSWGEOOL-UHFFFAOYSA-N 1 2 454.618 1.762 20 0 JDADLO CCCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001500734864 1069305664 /nfs/dbraw/zinc/30/56/64/1069305664.db2.gz HLHYPYHZPYEISI-UHFFFAOYSA-N 1 2 490.678 1.947 20 0 JDADLO CSC[C@@H]1CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505224383 1072426499 /nfs/dbraw/zinc/42/64/99/1072426499.db2.gz OOKJIMDSEJPAEM-REWPJTCUSA-N 1 2 480.679 1.815 20 0 JDADLO CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001505263325 1072437973 /nfs/dbraw/zinc/43/79/73/1072437973.db2.gz MEIZLUISFPWRQL-MRXNPFEDSA-N 1 2 450.634 1.957 20 0 JDADLO C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1O ZINC001505272663 1072443717 /nfs/dbraw/zinc/44/37/17/1072443717.db2.gz UWPRMFXABSKQOY-NCOADZHNSA-N 1 2 453.634 1.752 20 0 JDADLO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCN1S(C)(=O)=O ZINC001505287152 1072466861 /nfs/dbraw/zinc/46/68/61/1072466861.db2.gz LUAQZPRSKDCHDQ-BXWFABGCSA-N 1 2 498.600 1.833 20 0 JDADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC001505287098 1072466925 /nfs/dbraw/zinc/46/69/25/1072466925.db2.gz LDBAAQFTHCDKKG-KSZLIROESA-N 1 2 479.607 1.122 20 0 JDADLO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001505290526 1072477004 /nfs/dbraw/zinc/47/70/04/1072477004.db2.gz XTDJBDBSQCQXRU-BGYRXZFFSA-N 1 2 457.623 1.996 20 0 JDADLO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001505290526 1072477010 /nfs/dbraw/zinc/47/70/10/1072477010.db2.gz XTDJBDBSQCQXRU-BGYRXZFFSA-N 1 2 457.623 1.996 20 0 JDADLO NC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2cccc[nH+]2)CC1 ZINC001505334398 1072508272 /nfs/dbraw/zinc/50/82/72/1072508272.db2.gz CUXAATRPOALBSC-UHFFFAOYSA-N 1 2 468.587 1.869 20 0 JDADLO O=C(C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001505356272 1072564922 /nfs/dbraw/zinc/56/49/22/1072564922.db2.gz WMTZEHUCVHCILU-OAHLLOKOSA-N 1 2 463.526 1.624 20 0 JDADLO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001508194411 1072957739 /nfs/dbraw/zinc/95/77/39/1072957739.db2.gz JGVIOQBAYFNQMF-VQIMIIECSA-N 1 2 461.636 1.659 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001508218021 1072980504 /nfs/dbraw/zinc/98/05/04/1072980504.db2.gz YSKKQQCYOFDSIG-AUSIDOKSSA-N 1 2 464.611 1.098 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001508218021 1072980514 /nfs/dbraw/zinc/98/05/14/1072980514.db2.gz YSKKQQCYOFDSIG-AUSIDOKSSA-N 1 2 464.611 1.098 20 0 JDADLO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC4CCCC4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001508231895 1072997608 /nfs/dbraw/zinc/99/76/08/1072997608.db2.gz JQNYGTAOKVZLLB-GHTZIAJQSA-N 1 2 480.679 1.434 20 0 JDADLO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC4CCCC4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001508231895 1072997631 /nfs/dbraw/zinc/99/76/31/1072997631.db2.gz JQNYGTAOKVZLLB-GHTZIAJQSA-N 1 2 480.679 1.434 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC001508232961 1072999911 /nfs/dbraw/zinc/99/99/11/1072999911.db2.gz AOSQRORKKBJSAL-DLBZAZTESA-N 1 2 486.602 1.179 20 0 JDADLO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)C)n3CC3(CS(C)(=O)=O)CC3)C[C@@H]2C)CC1 ZINC001508234724 1073004953 /nfs/dbraw/zinc/00/49/53/1073004953.db2.gz VNBBEPGEJAOJAJ-ICSRJNTNSA-N 1 2 480.679 1.605 20 0 JDADLO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CC3(CS(C)(=O)=O)CC3)C[C@@H]2C)CC1 ZINC001508234724 1073004966 /nfs/dbraw/zinc/00/49/66/1073004966.db2.gz VNBBEPGEJAOJAJ-ICSRJNTNSA-N 1 2 480.679 1.605 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)[nH+]2)[C@H](C)C1 ZINC001508238236 1073011764 /nfs/dbraw/zinc/01/17/64/1073011764.db2.gz SMFUUOXGJYUEBX-IAGOWNOFSA-N 1 2 463.608 1.282 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)[nH+]2)[C@@H](C)C1 ZINC001508238232 1073011983 /nfs/dbraw/zinc/01/19/83/1073011983.db2.gz SMFUUOXGJYUEBX-DLBZAZTESA-N 1 2 463.608 1.282 20 0 JDADLO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccnc4)n3CC[S@@](=O)C(C)(C)C)C[C@@H]2C)CC1 ZINC001508270880 1073038444 /nfs/dbraw/zinc/03/84/44/1073038444.db2.gz LVWMPEANRXANIQ-MDLJVCPPSA-N 1 2 487.674 1.876 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001508271231 1073038700 /nfs/dbraw/zinc/03/87/00/1073038700.db2.gz BTJSZNYNMOFGDE-UHFFFAOYSA-N 1 2 466.590 1.700 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001508272196 1073040242 /nfs/dbraw/zinc/04/02/42/1073040242.db2.gz FSNMACJGFBBFIL-UHFFFAOYSA-N 1 2 495.672 1.922 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001508272413 1073040265 /nfs/dbraw/zinc/04/02/65/1073040265.db2.gz HJZROFZSONMKMO-KHCICDEESA-N 1 2 475.638 1.063 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001508272405 1073040555 /nfs/dbraw/zinc/04/05/55/1073040555.db2.gz HJZROFZSONMKMO-IECBHUPTSA-N 1 2 475.638 1.063 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N2CCCOCC2)CC1 ZINC001508272882 1073040929 /nfs/dbraw/zinc/04/09/29/1073040929.db2.gz IOAAFZIXJXAQGF-UHFFFAOYSA-N 1 2 456.591 1.865 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(C)CCOc2ccccc2)CC1 ZINC001508273159 1073041529 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/nfs/dbraw/zinc/05/19/14/1073051914.db2.gz HLLKIRPTZUDWKQ-NRFANRHFSA-N 1 2 475.638 1.379 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC001508278319 1073053226 /nfs/dbraw/zinc/05/32/26/1073053226.db2.gz HYWJVJYFVWWUSU-NRFANRHFSA-N 1 2 485.633 1.999 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001508278415 1073053710 /nfs/dbraw/zinc/05/37/10/1073053710.db2.gz KOHVOLYDKKFTQW-NRFANRHFSA-N 1 2 458.611 1.671 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001508278625 1073055010 /nfs/dbraw/zinc/05/50/10/1073055010.db2.gz ITNYJUVRJAZANM-JOCHJYFZSA-N 1 2 483.617 1.817 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001508278632 1073055127 /nfs/dbraw/zinc/05/51/27/1073055127.db2.gz ITNYJUVRJAZANM-QFIPXVFZSA-N 1 2 483.617 1.817 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001508279005 1073055733 /nfs/dbraw/zinc/05/57/33/1073055733.db2.gz WSAAOVCGMMZBGC-MSOLQXFVSA-N 1 2 460.554 1.946 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCc3ccccc32)CC1 ZINC001508279039 1073056104 /nfs/dbraw/zinc/05/61/04/1073056104.db2.gz WWTCCQLWVGPKLB-UWJYYQICSA-N 1 2 489.646 1.176 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001508279027 1073056142 /nfs/dbraw/zinc/05/61/42/1073056142.db2.gz WVMBNSKSXSVMSG-PZJWPPBQSA-N 1 2 497.644 1.866 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001508279072 1073056234 /nfs/dbraw/zinc/05/62/34/1073056234.db2.gz OZYRECKLTKZJSH-UHFFFAOYSA-N 1 2 459.639 1.795 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001508279025 1073056410 /nfs/dbraw/zinc/05/64/10/1073056410.db2.gz WVMBNSKSXSVMSG-CTNGQTDRSA-N 1 2 497.644 1.866 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)CCc2cnccn2)CC1 ZINC001508279137 1073056757 /nfs/dbraw/zinc/05/67/57/1073056757.db2.gz QAKBFKCBYDLXNW-UHFFFAOYSA-N 1 2 454.604 1.563 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001508279535 1073057388 /nfs/dbraw/zinc/05/73/88/1073057388.db2.gz ZCLSDBUTPIDOKB-NRFANRHFSA-N 1 2 497.644 1.868 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001508279637 1073057898 /nfs/dbraw/zinc/05/78/98/1073057898.db2.gz UACOSBCNQQKEIA-UXHICEINSA-N 1 2 475.638 1.077 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 ZINC001508279975 1073059103 /nfs/dbraw/zinc/05/91/03/1073059103.db2.gz USVDOHUBDHAJBX-SFTDATJTSA-N 1 2 475.638 1.425 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(Cc2cccs2)C(C)C)CC1 ZINC001508280430 1073060075 /nfs/dbraw/zinc/06/00/75/1073060075.db2.gz VAZDZKPQDIJEMY-LJQANCHMSA-N 1 2 459.620 1.870 20 0 JDADLO CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001508300260 1073068951 /nfs/dbraw/zinc/06/89/51/1073068951.db2.gz LXFOVIPXRJLTBE-IBGZPJMESA-N 1 2 460.604 1.717 20 0 JDADLO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001508326298 1073083287 /nfs/dbraw/zinc/08/32/87/1073083287.db2.gz GZYDYIDHQVJRDP-HXUWFJFHSA-N 1 2 484.605 1.387 20 0 JDADLO CC(=O)NC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001508332730 1073091363 /nfs/dbraw/zinc/09/13/63/1073091363.db2.gz JMBCJXILHNLHIL-MRXNPFEDSA-N 1 2 486.602 1.227 20 0 JDADLO CC(=O)NC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001508343289 1073098323 /nfs/dbraw/zinc/09/83/23/1073098323.db2.gz UGFTTZOQEMLKAI-KRWDZBQOSA-N 1 2 460.554 1.822 20 0 JDADLO CC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001508342025 1073098433 /nfs/dbraw/zinc/09/84/33/1073098433.db2.gz NBMNVMYWSKALNC-UHFFFAOYSA-N 1 2 483.617 1.435 20 0 JDADLO CC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001508345058 1073099649 /nfs/dbraw/zinc/09/96/49/1073099649.db2.gz WRZLHMSMKGZFPJ-UHFFFAOYSA-N 1 2 488.036 1.791 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC001508372019 1073145915 /nfs/dbraw/zinc/14/59/15/1073145915.db2.gz BXQOJRRQAHPHEL-FCHUYYIVSA-N 1 2 456.591 1.644 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC001508372019 1073145927 /nfs/dbraw/zinc/14/59/27/1073145927.db2.gz BXQOJRRQAHPHEL-FCHUYYIVSA-N 1 2 456.591 1.644 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC001508376075 1073162443 /nfs/dbraw/zinc/16/24/43/1073162443.db2.gz MTYLZDZDVFZJLB-FQEVSTJZSA-N 1 2 471.606 1.488 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001508380986 1073175089 /nfs/dbraw/zinc/17/50/89/1073175089.db2.gz FWILKWOYRXUSOB-PZJWPPBQSA-N 1 2 488.658 1.941 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001508383353 1073183620 /nfs/dbraw/zinc/18/36/20/1073183620.db2.gz KTWDYFUSPTYXOE-OFNKIYASSA-N 1 2 486.617 1.536 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001508383351 1073183870 /nfs/dbraw/zinc/18/38/70/1073183870.db2.gz KTWDYFUSPTYXOE-NFBKMPQASA-N 1 2 486.617 1.536 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001508386723 1073192789 /nfs/dbraw/zinc/19/27/89/1073192789.db2.gz WGOCSFRVFODENW-UGKGYDQZSA-N 1 2 472.590 1.228 20 0 JDADLO C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCCC2)[nH+]c1)S(C)(=O)=O ZINC001508432219 1073227704 /nfs/dbraw/zinc/22/77/04/1073227704.db2.gz GUTUZAFULTZKSK-DLBZAZTESA-N 1 2 472.619 1.980 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C3CCCC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001508432079 1073228635 /nfs/dbraw/zinc/22/86/35/1073228635.db2.gz HOWDRCZQJCPDCE-LJQANCHMSA-N 1 2 496.678 1.130 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCCOC(F)F)CC1 ZINC001508432681 1073229582 /nfs/dbraw/zinc/22/95/82/1073229582.db2.gz JEPPDBMWVCCQMN-QGZVFWFLSA-N 1 2 483.564 1.163 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCOC(C)(C)C)CC1 ZINC001508433025 1073230013 /nfs/dbraw/zinc/23/00/13/1073230013.db2.gz KRALHARKSMPDPO-SFHVURJKSA-N 1 2 456.595 1.683 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCC(C)(C)O)CC1 ZINC001508433489 1073231225 /nfs/dbraw/zinc/23/12/25/1073231225.db2.gz NJQRFVWNBKVAMF-LJQANCHMSA-N 1 2 455.607 1.558 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N(C)C)CC1 ZINC001508434782 1073233659 /nfs/dbraw/zinc/23/36/59/1073233659.db2.gz UFFSTBVTQAPZKF-GOSISDBHSA-N 1 2 473.647 1.542 20 0 JDADLO CC(C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508436577 1073235597 /nfs/dbraw/zinc/23/55/97/1073235597.db2.gz WGTVZIYEEAOQHA-MBSDFSHPSA-N 1 2 458.611 1.219 20 0 JDADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N(C)C)CC1 ZINC001508436630 1073236037 /nfs/dbraw/zinc/23/60/37/1073236037.db2.gz WWMWSDSORPBMAX-INIZCTEOSA-N 1 2 474.009 1.866 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508438825 1073239780 /nfs/dbraw/zinc/23/97/80/1073239780.db2.gz CQEWVBQBUMUPAZ-QWFCFKBJSA-N 1 2 492.646 1.710 20 0 JDADLO C[C@H]([C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2cc[nH+]c2)c1)S(C)(=O)=O ZINC001508439984 1073242258 /nfs/dbraw/zinc/24/22/58/1073242258.db2.gz OCGZPVXTYHUMPI-RBUKOAKNSA-N 1 2 499.641 1.951 20 0 JDADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001508439977 1073242301 /nfs/dbraw/zinc/24/23/01/1073242301.db2.gz OCGZPVXTYHUMPI-OALUTQOASA-N 1 2 499.641 1.951 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CC=CCC1 ZINC001508440412 1073242808 /nfs/dbraw/zinc/24/28/08/1073242808.db2.gz DUQMBOOHZNJQKH-HZPDHXFCSA-N 1 2 464.592 1.526 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CC=CCC1 ZINC001508440412 1073242824 /nfs/dbraw/zinc/24/28/24/1073242824.db2.gz DUQMBOOHZNJQKH-HZPDHXFCSA-N 1 2 464.592 1.526 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001508618641 1073287107 /nfs/dbraw/zinc/28/71/07/1073287107.db2.gz GGRDHPVMNOZRBF-UHFFFAOYSA-N 1 2 454.641 1.648 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCS(C)(=O)=O)CC1 ZINC001508621615 1073288963 /nfs/dbraw/zinc/28/89/63/1073288963.db2.gz CEIORBPPLQZZKA-UHFFFAOYSA-N 1 2 452.581 1.361 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001508623212 1073290127 /nfs/dbraw/zinc/29/01/27/1073290127.db2.gz LKWUBKJYUUQQDZ-QFIPXVFZSA-N 1 2 482.050 1.992 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)CC1 ZINC001508623732 1073290438 /nfs/dbraw/zinc/29/04/38/1073290438.db2.gz PMQWULMKSPHOIM-GOSISDBHSA-N 1 2 468.668 1.212 20 0 JDADLO CC(C)(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001508632764 1073296704 /nfs/dbraw/zinc/29/67/04/1073296704.db2.gz WWVFUKFJTXYZII-MRXNPFEDSA-N 1 2 452.625 1.160 20 0 JDADLO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001508651286 1073314411 /nfs/dbraw/zinc/31/44/11/1073314411.db2.gz UPCJVVFBXFKMRB-ROUUACIJSA-N 1 2 480.635 1.546 20 0 JDADLO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001508651286 1073314416 /nfs/dbraw/zinc/31/44/16/1073314416.db2.gz UPCJVVFBXFKMRB-ROUUACIJSA-N 1 2 480.635 1.546 20 0 JDADLO CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001508667145 1073323578 /nfs/dbraw/zinc/32/35/78/1073323578.db2.gz IMFKTFNZDDJQHJ-RBUKOAKNSA-N 1 2 494.637 1.970 20 0 JDADLO CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001508667145 1073323585 /nfs/dbraw/zinc/32/35/85/1073323585.db2.gz IMFKTFNZDDJQHJ-RBUKOAKNSA-N 1 2 494.637 1.970 20 0 JDADLO CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001508701681 1073343506 /nfs/dbraw/zinc/34/35/06/1073343506.db2.gz VWGWUDRYGYDLMP-TYHYVREOSA-N 1 2 494.706 1.854 20 0 JDADLO CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001508701681 1073343520 /nfs/dbraw/zinc/34/35/20/1073343520.db2.gz VWGWUDRYGYDLMP-TYHYVREOSA-N 1 2 494.706 1.854 20 0 JDADLO CC(C)C(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001508754840 1073357680 /nfs/dbraw/zinc/35/76/80/1073357680.db2.gz BZWQTPSPPLFXMP-OAQYLSRUSA-N 1 2 489.665 1.566 20 0 JDADLO CC(C)C(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001508777723 1073372301 /nfs/dbraw/zinc/37/23/01/1073372301.db2.gz MMRFPVVSWPPNQT-UHFFFAOYSA-N 1 2 498.632 1.777 20 0 JDADLO CC(C)C(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001508777723 1073372315 /nfs/dbraw/zinc/37/23/15/1073372315.db2.gz MMRFPVVSWPPNQT-UHFFFAOYSA-N 1 2 498.632 1.777 20 0 JDADLO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)CC1 ZINC001508791318 1073377713 /nfs/dbraw/zinc/37/77/13/1073377713.db2.gz MTLFIJIRFAGOID-GOSISDBHSA-N 1 2 489.646 1.818 20 0 JDADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001508794744 1073381834 /nfs/dbraw/zinc/38/18/34/1073381834.db2.gz NLDFQELKHNCENR-IFMALSPDSA-N 1 2 469.634 1.973 20 0 JDADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001508794744 1073381838 /nfs/dbraw/zinc/38/18/38/1073381838.db2.gz NLDFQELKHNCENR-IFMALSPDSA-N 1 2 469.634 1.973 20 0 JDADLO CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001508802504 1073385972 /nfs/dbraw/zinc/38/59/72/1073385972.db2.gz JEVGPROMTWGHPM-QGZVFWFLSA-N 1 2 452.625 1.017 20 0 JDADLO CC(C)C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001508802501 1073386301 /nfs/dbraw/zinc/38/63/01/1073386301.db2.gz JEVGPROMTWGHPM-KRWDZBQOSA-N 1 2 452.625 1.017 20 0 JDADLO CC(C)C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001508803501 1073387171 /nfs/dbraw/zinc/38/71/71/1073387171.db2.gz MYJZHKPUNFPSKB-KRWDZBQOSA-N 1 2 454.641 1.263 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001508810840 1073390699 /nfs/dbraw/zinc/39/06/99/1073390699.db2.gz IHPHKJLKYNHVKA-HXUWFJFHSA-N 1 2 499.664 1.381 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001508810840 1073390704 /nfs/dbraw/zinc/39/07/04/1073390704.db2.gz IHPHKJLKYNHVKA-HXUWFJFHSA-N 1 2 499.664 1.381 20 0 JDADLO CC(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508820036 1073396879 /nfs/dbraw/zinc/39/68/79/1073396879.db2.gz CVHNJNWGNBPSAI-HXUWFJFHSA-N 1 2 499.635 1.913 20 0 JDADLO CC(C)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001508838278 1073409293 /nfs/dbraw/zinc/40/92/93/1073409293.db2.gz NBGXNOMWIGJEHO-GOSISDBHSA-N 1 2 472.656 1.062 20 0 JDADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001508908686 1073447147 /nfs/dbraw/zinc/44/71/47/1073447147.db2.gz RTSFQZSYCSDWTF-GOSISDBHSA-N 1 2 497.687 1.912 20 0 JDADLO CC(C)c1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001508939373 1073449277 /nfs/dbraw/zinc/44/92/77/1073449277.db2.gz MLCYNYDQBPLLPY-GOSISDBHSA-N 1 2 475.638 1.063 20 0 JDADLO CC(C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001509005830 1073473846 /nfs/dbraw/zinc/47/38/46/1073473846.db2.gz YWHAPVSTGNKQOM-TZIWHRDSSA-N 1 2 455.607 1.471 20 0 JDADLO CC(C)CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001509123417 1073510191 /nfs/dbraw/zinc/51/01/91/1073510191.db2.gz QPOXTEWQYLYCKR-LJQANCHMSA-N 1 2 484.667 1.206 20 0 JDADLO CC(C)Cc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001509139248 1073513045 /nfs/dbraw/zinc/51/30/45/1073513045.db2.gz ZFHAXQFFWLFMQD-QFIPXVFZSA-N 1 2 470.618 1.845 20 0 JDADLO CC(C)Cc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001509137236 1073513107 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/nfs/dbraw/zinc/61/01/19/1073610119.db2.gz JKOAYTJYVQHLSN-QFIPXVFZSA-N 1 2 481.594 1.324 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC2CCOCC2)CC1 ZINC001509434067 1073615941 /nfs/dbraw/zinc/61/59/41/1073615941.db2.gz YSQSDEZYIWWDOI-NRFANRHFSA-N 1 2 483.679 1.792 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509436161 1073618230 /nfs/dbraw/zinc/61/82/30/1073618230.db2.gz PWQJAVNGAZFCBR-QZTJIDSGSA-N 1 2 483.038 1.974 20 0 JDADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509436161 1073618234 /nfs/dbraw/zinc/61/82/34/1073618234.db2.gz PWQJAVNGAZFCBR-QZTJIDSGSA-N 1 2 483.038 1.974 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001509443350 1073625386 /nfs/dbraw/zinc/62/53/86/1073625386.db2.gz NOIGRGYHIQLTRV-UFYCRDLUSA-N 1 2 469.652 1.542 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001509443350 1073625402 /nfs/dbraw/zinc/62/54/02/1073625402.db2.gz NOIGRGYHIQLTRV-UFYCRDLUSA-N 1 2 469.652 1.542 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001509443371 1073626362 /nfs/dbraw/zinc/62/63/62/1073626362.db2.gz NXEWKUZICSOCQP-ICSRJNTNSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001509443371 1073626367 /nfs/dbraw/zinc/62/63/67/1073626367.db2.gz NXEWKUZICSOCQP-ICSRJNTNSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001509443374 1073626438 /nfs/dbraw/zinc/62/64/38/1073626438.db2.gz NXEWKUZICSOCQP-UYAOXDASSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001509443374 1073626446 /nfs/dbraw/zinc/62/64/46/1073626446.db2.gz NXEWKUZICSOCQP-UYAOXDASSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509443397 1073626472 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/nfs/dbraw/zinc/68/99/76/1073689976.db2.gz CNOPGIBCOLAHQH-NRFANRHFSA-N 1 2 469.558 1.227 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001509570639 1073690693 /nfs/dbraw/zinc/69/06/93/1073690693.db2.gz CLBLFXWDUYMHHP-UHFFFAOYSA-N 1 2 474.631 1.660 20 0 JDADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(-c4ccccn4)n3CCC(=O)NC(C)(C)C)CC2)C1 ZINC001509579889 1073700899 /nfs/dbraw/zinc/70/08/99/1073700899.db2.gz LMOPHHALBJINAO-OAQYLSRUSA-N 1 2 498.676 1.876 20 0 JDADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(-c4cnccn4)n3C[C@@](C)(O)C(C)C)CC2)C1 ZINC001509579806 1073701007 /nfs/dbraw/zinc/70/10/07/1073701007.db2.gz LIEQPOJGPRSYGO-HYBUGGRVSA-N 1 2 472.638 1.373 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1([S@](C)=O)CC1 ZINC001509593454 1073721608 /nfs/dbraw/zinc/72/16/08/1073721608.db2.gz YEWXGHVQIHPDRN-HKBQPEDESA-N 1 2 454.641 1.122 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001509602221 1073726166 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JESFZNROAOUOFJ-KRWDZBQOSA-N 1 2 454.579 1.517 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001509660721 1073755023 /nfs/dbraw/zinc/75/50/23/1073755023.db2.gz KRVXGAYZTBRMMD-WOJBJXKFSA-N 1 2 458.611 1.848 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001509660713 1073755044 /nfs/dbraw/zinc/75/50/44/1073755044.db2.gz KRVXGAYZTBRMMD-PMACEKPBSA-N 1 2 458.611 1.848 20 0 JDADLO CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc21 ZINC000004034970 194371312 /nfs/dbraw/zinc/37/13/12/194371312.db2.gz SKJDRRNMVWGRRS-UHFFFAOYSA-N 1 2 457.556 1.008 20 0 JDADLO COc1ccc(COC[C@@H](O)C[NH+]2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1OC ZINC000025562179 563020439 /nfs/dbraw/zinc/02/04/39/563020439.db2.gz LWESJOFALLOJTM-KRWDZBQOSA-N 1 2 486.537 1.866 20 0 JDADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c1 ZINC001164639888 719276046 /nfs/dbraw/zinc/27/60/46/719276046.db2.gz LAKVQYKLZYJCBZ-UHFFFAOYSA-N 1 2 451.999 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COC(=O)c1nc2cnccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164821185 720372563 /nfs/dbraw/zinc/37/25/63/720372563.db2.gz ZXBCAJVWWCWMPO-UHFFFAOYSA-N 1 2 481.582 1.890 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4C(C)(C)C(=O)N5)CC3)C2=O)cs1 ZINC001164821154 720377501 /nfs/dbraw/zinc/37/75/01/720377501.db2.gz YDZMXIUOKPADDY-UHFFFAOYSA-N 1 2 455.588 1.784 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4C(C)(C)C(=O)N5)CC3)C2=O)cs1 ZINC001164821154 720377512 /nfs/dbraw/zinc/37/75/12/720377512.db2.gz YDZMXIUOKPADDY-UHFFFAOYSA-N 1 2 455.588 1.784 20 0 JDADLO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164819970 720379375 /nfs/dbraw/zinc/37/93/75/720379375.db2.gz KAPRMVWHHUPJSX-UHFFFAOYSA-N 1 2 478.644 1.458 20 0 JDADLO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164819970 720379380 /nfs/dbraw/zinc/37/93/80/720379380.db2.gz KAPRMVWHHUPJSX-UHFFFAOYSA-N 1 2 478.644 1.458 20 0 JDADLO CCOC(=O)/C=C/c1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164823030 720431570 /nfs/dbraw/zinc/43/15/70/720431570.db2.gz GXPCTIPAPAPBES-ROUKRRSUSA-N 1 2 455.559 1.844 20 0 JDADLO CCOC(=O)c1nc2ccccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825812 720433203 /nfs/dbraw/zinc/43/32/03/720433203.db2.gz UZMTYKXWJHTHDD-GOSISDBHSA-N 1 2 480.569 1.993 20 0 JDADLO COC(=O)c1ccc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164822456 720437070 /nfs/dbraw/zinc/43/70/70/720437070.db2.gz FHUFMIJIVGPHRB-SFHVURJKSA-N 1 2 466.542 1.603 20 0 JDADLO COc1cc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2cc1OC ZINC001164825588 720437779 /nfs/dbraw/zinc/43/77/79/720437779.db2.gz SIWQWXBUIFTKEY-QGZVFWFLSA-N 1 2 468.558 1.833 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ccsc3c(N3CCOCC3)n1)C2 ZINC001164821905 720438139 /nfs/dbraw/zinc/43/81/39/720438139.db2.gz AOQYHEKWRHWQMO-SFHVURJKSA-N 1 2 499.641 1.714 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1SCC3)C2 ZINC001164823419 720445272 /nfs/dbraw/zinc/44/52/72/720445272.db2.gz JOYNKCPCOMAFMB-AWEZNQCLSA-N 1 2 450.996 1.964 20 0 JDADLO CCOC(=O)c1cc2ccnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2[nH]1 ZINC001164822360 720447359 /nfs/dbraw/zinc/44/73/59/720447359.db2.gz DDUKNJSEFMQKSL-SFHVURJKSA-N 1 2 468.558 1.926 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(NC(=O)C(C)(C)C)nn1)C2 ZINC001164825100 720451530 /nfs/dbraw/zinc/45/15/30/720451530.db2.gz PZVIAFWGIXSNOH-KRWDZBQOSA-N 1 2 457.579 1.647 20 0 JDADLO CCOC(=O)c1cnc(C2CC2)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164825823 720452062 /nfs/dbraw/zinc/45/20/62/720452062.db2.gz UZQLVPGFIRBEQS-GOSISDBHSA-N 1 2 470.574 1.717 20 0 JDADLO CCOC(=O)c1ccc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164825087 720452981 /nfs/dbraw/zinc/45/29/81/720452981.db2.gz PYKNHHZZMIFHIF-IBGZPJMESA-N 1 2 480.569 1.993 20 0 JDADLO CCOC(=O)Cc1c(Cl)ncnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164821942 720455056 /nfs/dbraw/zinc/45/50/56/720455056.db2.gz AZEBPRWMIXHHIE-MRXNPFEDSA-N 1 2 478.981 1.422 20 0 JDADLO COc1nc(-c2ccccc2)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830199 720459000 /nfs/dbraw/zinc/45/90/00/720459000.db2.gz JHINRSSTJOGZMC-LJQANCHMSA-N 1 2 465.558 1.733 20 0 JDADLO COC(=O)c1cc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)[nH]1 ZINC001164828855 720460455 /nfs/dbraw/zinc/46/04/55/720460455.db2.gz BDYWGSLFXJNHJO-CQSZACIVSA-N 1 2 489.964 1.584 20 0 JDADLO COC(=O)C1CCN(c2nccnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)CC1 ZINC001164831205 720461558 /nfs/dbraw/zinc/46/15/58/720461558.db2.gz NPBNRWXKHBBNMJ-HXUWFJFHSA-N 1 2 499.616 1.052 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1S(=O)(=O)N1CCCC1)C2 ZINC001164829633 720461938 /nfs/dbraw/zinc/46/19/38/720461938.db2.gz GIRYLFGPDTYBSO-LJQANCHMSA-N 1 2 490.630 1.052 20 0 JDADLO COC(=O)C1CCN(c2nccnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)CC1 ZINC001164831204 720462613 /nfs/dbraw/zinc/46/26/13/720462613.db2.gz NPBNRWXKHBBNMJ-FQEVSTJZSA-N 1 2 499.616 1.052 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(-c3cccnc3F)n1)C2 ZINC001164830193 720463791 /nfs/dbraw/zinc/46/37/91/720463791.db2.gz JHDZIGQZWXDWKY-QGZVFWFLSA-N 1 2 453.522 1.864 20 0 JDADLO COC(=O)c1cc2c[nH]c(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)cc-2n1 ZINC001164831192 720467227 /nfs/dbraw/zinc/46/72/27/720467227.db2.gz NJYQEGWNBJDVCB-KRWDZBQOSA-N 1 2 454.531 1.536 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1S(C)(=O)=O)C2 ZINC001164832282 720468473 /nfs/dbraw/zinc/46/84/73/720468473.db2.gz SOPSUVAQHQQHSN-OAHLLOKOSA-N 1 2 469.995 1.325 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1S(C)(=O)=O)C2 ZINC001164832281 720468850 /nfs/dbraw/zinc/46/88/50/720468850.db2.gz SOPSUVAQHQQHSN-HNNXBMFYSA-N 1 2 469.995 1.325 20 0 JDADLO Cc1nc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1C ZINC001164830273 720469781 /nfs/dbraw/zinc/46/97/81/720469781.db2.gz KDTXCUFFSZSEFM-HNNXBMFYSA-N 1 2 460.970 1.511 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(C(N)=O)cc3ccccc31)C2 ZINC001164830562 720473267 /nfs/dbraw/zinc/47/32/67/720473267.db2.gz KDYOBQSYLRZLMI-GOSISDBHSA-N 1 2 450.543 1.520 20 0 JDADLO COCCOC(=O)c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164832732 720480143 /nfs/dbraw/zinc/48/01/43/720480143.db2.gz KQEFALHUIIYPSY-IBGZPJMESA-N 1 2 459.547 1.071 20 0 JDADLO COC(=O)c1nc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)n1 ZINC001164834500 720482554 /nfs/dbraw/zinc/48/25/54/720482554.db2.gz SRSWBHFEZIMSNO-ZDUSSCGKSA-N 1 2 485.372 1.756 20 0 JDADLO CCNC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831457 720483852 /nfs/dbraw/zinc/48/38/52/720483852.db2.gz GAOQELQHBZWXHC-HNNXBMFYSA-N 1 2 463.970 1.066 20 0 JDADLO CCOC(=O)[C@H]1CCc2nnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)cc2C1 ZINC001164834075 720484106 /nfs/dbraw/zinc/48/41/06/720484106.db2.gz RHVZATYEVHPMSG-AZUAARDMSA-N 1 2 484.601 1.331 20 0 JDADLO CN(C)c1cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc(Cl)n1 ZINC001164855354 720896548 /nfs/dbraw/zinc/89/65/48/720896548.db2.gz BHPIALYDXFVCSO-UHFFFAOYSA-N 1 2 450.881 1.953 20 0 JDADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164798081 721597800 /nfs/dbraw/zinc/59/78/00/721597800.db2.gz IVDCBHUTHKWAQY-PTUXOGIPSA-N 1 2 457.538 1.459 20 0 JDADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164798081 721597802 /nfs/dbraw/zinc/59/78/02/721597802.db2.gz IVDCBHUTHKWAQY-PTUXOGIPSA-N 1 2 457.538 1.459 20 0 JDADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@@H]12)c1cnccn1 ZINC001164798083 721597820 /nfs/dbraw/zinc/59/78/20/721597820.db2.gz IVDCBHUTHKWAQY-WWPVKYPJSA-N 1 2 457.538 1.459 20 0 JDADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@@H]12)c1cnccn1 ZINC001164798083 721597821 /nfs/dbraw/zinc/59/78/21/721597821.db2.gz IVDCBHUTHKWAQY-WWPVKYPJSA-N 1 2 457.538 1.459 20 0 JDADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)c1 ZINC001165014965 721766172 /nfs/dbraw/zinc/76/61/72/721766172.db2.gz KQCSNPRGMTVECW-UHFFFAOYSA-N 1 2 493.902 1.989 20 0 JDADLO CCOC(=O)c1nnc(SC)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912022 721775981 /nfs/dbraw/zinc/77/59/81/721775981.db2.gz JHYRZUDIKTWLMO-OAQYLSRUSA-N 1 2 460.560 1.273 20 0 JDADLO CCOC(=O)c1nnc(SC)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912022 721775986 /nfs/dbraw/zinc/77/59/86/721775986.db2.gz JHYRZUDIKTWLMO-OAQYLSRUSA-N 1 2 460.560 1.273 20 0 JDADLO c1nc2c(nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2N2CCOCC2)s1 ZINC001164910661 721776155 /nfs/dbraw/zinc/77/61/55/721776155.db2.gz BYXDUCWPMKLKFO-HSZRJFAPSA-N 1 2 483.598 1.426 20 0 JDADLO c1nc2c(nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2N2CCOCC2)s1 ZINC001164910661 721776157 /nfs/dbraw/zinc/77/61/57/721776157.db2.gz BYXDUCWPMKLKFO-HSZRJFAPSA-N 1 2 483.598 1.426 20 0 JDADLO CCOC(=O)Cc1nc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164911136 721779553 /nfs/dbraw/zinc/77/95/53/721779553.db2.gz FNHZLZRCZLXYJP-QFIPXVFZSA-N 1 2 461.950 1.738 20 0 JDADLO CCOC(=O)Cc1nc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164911136 721779562 /nfs/dbraw/zinc/77/95/62/721779562.db2.gz FNHZLZRCZLXYJP-QFIPXVFZSA-N 1 2 461.950 1.738 20 0 JDADLO CCOC(=O)Cc1nc(Cl)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164911133 721780165 /nfs/dbraw/zinc/78/01/65/721780165.db2.gz FNHZLZRCZLXYJP-JOCHJYFZSA-N 1 2 461.950 1.738 20 0 JDADLO CCOC(=O)Cc1nc(Cl)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164911133 721780167 /nfs/dbraw/zinc/78/01/67/721780167.db2.gz FNHZLZRCZLXYJP-JOCHJYFZSA-N 1 2 461.950 1.738 20 0 JDADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915554 721783857 /nfs/dbraw/zinc/78/38/57/721783857.db2.gz LBWYIMYITYHZBU-JOCHJYFZSA-N 1 2 461.950 1.738 20 0 JDADLO 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CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCNC(=O)C2CC2)CC1 ZINC001501781127 1069667599 /nfs/dbraw/zinc/66/75/99/1069667599.db2.gz XLQJXKYIYFGQJM-UHFFFAOYSA-N 1 2 467.618 1.770 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501783355 1069670880 /nfs/dbraw/zinc/67/08/80/1069670880.db2.gz KFTVNXCGAMWNMC-QGZVFWFLSA-N 1 2 457.554 1.353 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001501783335 1069671188 /nfs/dbraw/zinc/67/11/88/1069671188.db2.gz JJNJLQLEBMYHJX-IBGZPJMESA-N 1 2 468.606 1.245 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCc2nccs2)CC1 ZINC001501783316 1069671291 /nfs/dbraw/zinc/67/12/91/1069671291.db2.gz IVBHYIRCUSXUIF-UHFFFAOYSA-N 1 2 469.619 1.815 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccco2)CC1 ZINC001501783281 1069671643 /nfs/dbraw/zinc/67/16/43/1069671643.db2.gz HYFUCRHZFLJFEK-UHFFFAOYSA-N 1 2 482.589 1.297 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001501783350 1069671771 /nfs/dbraw/zinc/67/17/71/1069671771.db2.gz KDMOMPMMOAVQNN-XMMPIXPASA-N 1 2 470.622 1.667 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001501783523 1069672619 /nfs/dbraw/zinc/67/26/19/1069672619.db2.gz MGYFKPJBGHETRB-DENIHFKCSA-N 1 2 472.638 1.730 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001501783525 1069673031 /nfs/dbraw/zinc/67/30/31/1069673031.db2.gz MGYFKPJBGHETRB-SIKLNZKXSA-N 1 2 472.638 1.730 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)SC)CC1 ZINC001501783378 1069673351 /nfs/dbraw/zinc/67/33/51/1069673351.db2.gz LCUATZHPEFSWPI-MRXNPFEDSA-N 1 2 477.635 1.748 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001501783493 1069673490 /nfs/dbraw/zinc/67/34/90/1069673490.db2.gz LMDXAWLXROQKGW-IBGZPJMESA-N 1 2 458.611 1.787 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001501783526 1069673543 /nfs/dbraw/zinc/67/35/43/1069673543.db2.gz MGYFKPJBGHETRB-UGKGYDQZSA-N 1 2 472.638 1.730 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCCCO2)CC1 ZINC001501783547 1069674546 /nfs/dbraw/zinc/67/45/46/1069674546.db2.gz NFFDMBNIGLTUAH-FQEVSTJZSA-N 1 2 458.611 1.628 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2ccco2)CC1 ZINC001501783689 1069675160 /nfs/dbraw/zinc/67/51/60/1069675160.db2.gz OPQXYRMFYPPOER-UHFFFAOYSA-N 1 2 468.562 1.287 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001501784010 1069677644 /nfs/dbraw/zinc/67/76/44/1069677644.db2.gz SZZSLCICAWQDKY-ACDBMABISA-N 1 2 470.622 1.929 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001501784290 1069681573 /nfs/dbraw/zinc/68/15/73/1069681573.db2.gz ZVWPXVFKWFSSES-IBGZPJMESA-N 1 2 458.611 1.484 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001501784016 1069678259 /nfs/dbraw/zinc/67/82/59/1069678259.db2.gz SZZSLCICAWQDKY-RTBURBONSA-N 1 2 470.622 1.929 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC2(COC)CCC2)CC1 ZINC001501784076 1069679409 /nfs/dbraw/zinc/67/94/09/1069679409.db2.gz VZTGNNMDRBVRAG-UHFFFAOYSA-N 1 2 456.595 1.542 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001501791306 1069709691 /nfs/dbraw/zinc/70/96/91/1069709691.db2.gz GIEHODQYSRWKHG-VQTJNVASSA-N 1 2 463.627 1.477 20 0 JDADLO COC(=O)c1cc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1Br ZINC001476424817 1069712070 /nfs/dbraw/zinc/71/20/70/1069712070.db2.gz XQKACXADWPJDLN-IBGZPJMESA-N 1 2 456.337 1.973 20 0 JDADLO COC(=O)c1cc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1Br ZINC001476424817 1069712116 /nfs/dbraw/zinc/71/21/16/1069712116.db2.gz XQKACXADWPJDLN-IBGZPJMESA-N 1 2 456.337 1.973 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001501792398 1069714765 /nfs/dbraw/zinc/71/47/65/1069714765.db2.gz PISGQWKAXOOSSK-HXUWFJFHSA-N 1 2 470.622 1.568 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001501792398 1069714790 /nfs/dbraw/zinc/71/47/90/1069714790.db2.gz PISGQWKAXOOSSK-HXUWFJFHSA-N 1 2 470.622 1.568 20 0 JDADLO COc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC001476512625 1069733023 /nfs/dbraw/zinc/73/30/23/1069733023.db2.gz IPVNLILZKSVDPX-AEFFLSMTSA-N 1 2 452.577 1.807 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)c[nH+]1 ZINC001501840291 1069743199 /nfs/dbraw/zinc/74/31/99/1069743199.db2.gz CUQZSXXKEHDFDR-PMACEKPBSA-N 1 2 457.579 1.413 20 0 JDADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)c[nH+]1 ZINC001501830340 1069740894 /nfs/dbraw/zinc/74/08/94/1069740894.db2.gz LBWCINKRQCYANL-HSZRJFAPSA-N 1 2 470.578 1.737 20 0 JDADLO CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)NC)CC2)c[nH+]1 ZINC001501839083 1069743334 /nfs/dbraw/zinc/74/33/34/1069743334.db2.gz PQVGOTHCNTZRMS-UHFFFAOYSA-N 1 2 452.567 1.430 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)C)c[nH+]1 ZINC001501840841 1069744942 /nfs/dbraw/zinc/74/49/42/1069744942.db2.gz QZSVJPUEPJDXKU-LJQANCHMSA-N 1 2 479.651 1.993 20 0 JDADLO CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001501840927 1069745673 /nfs/dbraw/zinc/74/56/73/1069745673.db2.gz SYEPFKZVSQIXJI-GOSISDBHSA-N 1 2 465.624 1.747 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(=O)NC)C2)c[nH+]1 ZINC001501841098 1069745918 /nfs/dbraw/zinc/74/59/18/1069745918.db2.gz XLHVZBQMIQFUNR-MBSDFSHPSA-N 1 2 489.646 1.432 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(=O)NC)C2)c[nH+]1 ZINC001501841097 1069746054 /nfs/dbraw/zinc/74/60/54/1069746054.db2.gz XLHVZBQMIQFUNR-JPYJTQIMSA-N 1 2 489.646 1.432 20 0 JDADLO C[C@H](NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001476606967 1069753686 /nfs/dbraw/zinc/75/36/86/1069753686.db2.gz FEHOBXDTFBYGNU-YOEHRIQHSA-N 1 2 454.417 1.352 20 0 JDADLO C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001476606965 1069754768 /nfs/dbraw/zinc/75/47/68/1069754768.db2.gz FEHOBXDTFBYGNU-RHSMWYFYSA-N 1 2 454.417 1.352 20 0 JDADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3c[nH]nc3I)cc2)CC1 ZINC001546211658 1069757130 /nfs/dbraw/zinc/75/71/30/1069757130.db2.gz DYSAOCHTPRUTRK-UHFFFAOYSA-N 1 2 453.284 1.931 20 0 JDADLO COC[C@H](CO)NC(=O)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001476714144 1069766435 /nfs/dbraw/zinc/76/64/35/1069766435.db2.gz QSPWOZPWDUNRBL-KRWDZBQOSA-N 1 2 452.552 1.747 20 0 JDADLO CCOC1CC(CNC(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)([NH+]2CCOCC2)C1 ZINC001476801786 1069776919 /nfs/dbraw/zinc/77/69/19/1069776919.db2.gz VBZTUHBCKGTKJR-PHBIXPCASA-N 1 2 459.547 1.475 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc4c(c3)n(C)c(=O)n(C)c4=O)C2)c1 ZINC001477106728 1069801749 /nfs/dbraw/zinc/80/17/49/1069801749.db2.gz WFRVTOJMSLHUJT-LJQANCHMSA-N 1 2 451.527 1.568 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc4c(c3)n(C)c(=O)n(C)c4=O)C2)c1 ZINC001477106728 1069801750 /nfs/dbraw/zinc/80/17/50/1069801750.db2.gz WFRVTOJMSLHUJT-LJQANCHMSA-N 1 2 451.527 1.568 20 0 JDADLO CCOC(=O)c1ccc(N2CC(NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)nc1 ZINC001477240891 1069806197 /nfs/dbraw/zinc/80/61/97/1069806197.db2.gz BUZIXAYLDKFWSV-OAQYLSRUSA-N 1 2 453.543 1.647 20 0 JDADLO CCOC(=O)c1ccc(N2CC(NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)nc1 ZINC001477240891 1069806198 /nfs/dbraw/zinc/80/61/98/1069806198.db2.gz BUZIXAYLDKFWSV-OAQYLSRUSA-N 1 2 453.543 1.647 20 0 JDADLO COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC001477243207 1069807502 /nfs/dbraw/zinc/80/75/02/1069807502.db2.gz PVVXBVKVFXALFO-LJQANCHMSA-N 1 2 452.983 1.992 20 0 JDADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001546215595 1069807832 /nfs/dbraw/zinc/80/78/32/1069807832.db2.gz MUIMOMFIPKWOCI-SANMLTNESA-N 1 2 481.645 1.976 20 0 JDADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CC(=O)N(C)CC)cc1 ZINC001546215928 1069813328 /nfs/dbraw/zinc/81/33/28/1069813328.db2.gz YJXMAWCFQZLQNK-UHFFFAOYSA-N 1 2 467.618 1.730 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1OCCc2ccccc21 ZINC001477275095 1069809989 /nfs/dbraw/zinc/80/99/89/1069809989.db2.gz JXUGNCDWUYLLBN-FQEVSTJZSA-N 1 2 459.572 1.147 20 0 JDADLO CO[C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC001477275261 1069810009 /nfs/dbraw/zinc/81/00/09/1069810009.db2.gz PWQZWAARILZYMD-IBGZPJMESA-N 1 2 453.609 1.428 20 0 JDADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2cnccc2o1 ZINC001477275285 1069810016 /nfs/dbraw/zinc/81/00/16/1069810016.db2.gz QOMMSINCGFBNON-MRXNPFEDSA-N 1 2 458.544 1.735 20 0 JDADLO CC1(C)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1[C@H]1CCCO1 ZINC001477275703 1069810261 /nfs/dbraw/zinc/81/02/61/1069810261.db2.gz YNIHVJASAHMCLW-IEBWSBKVSA-N 1 2 451.593 1.132 20 0 JDADLO CN(C)S(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1 ZINC001477418235 1069822064 /nfs/dbraw/zinc/82/20/64/1069822064.db2.gz APFFZRMQJSQCBT-NRFANRHFSA-N 1 2 459.616 1.552 20 0 JDADLO CN(C)S(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC001477418235 1069822065 /nfs/dbraw/zinc/82/20/65/1069822065.db2.gz APFFZRMQJSQCBT-NRFANRHFSA-N 1 2 459.616 1.552 20 0 JDADLO CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001502059291 1069819992 /nfs/dbraw/zinc/81/99/92/1069819992.db2.gz DPWOZVQZPJNMIA-GOSISDBHSA-N 1 2 458.592 1.450 20 0 JDADLO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001477412548 1069821140 /nfs/dbraw/zinc/82/11/40/1069821140.db2.gz YPIYAOHPSKHDLL-QFBILLFUSA-N 1 2 451.593 1.107 20 0 JDADLO CCN(C[C@@H]1CCCO1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001502112273 1069824762 /nfs/dbraw/zinc/82/47/62/1069824762.db2.gz FNODTMLJZCZVBE-KSZLIROESA-N 1 2 465.624 1.976 20 0 JDADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC001477443706 1069824756 /nfs/dbraw/zinc/82/47/56/1069824756.db2.gz QDXXWFJOFNTATH-QFIPXVFZSA-N 1 2 452.555 1.998 20 0 JDADLO CCN(C[C@H]1CCCO1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001502115053 1069825328 /nfs/dbraw/zinc/82/53/28/1069825328.db2.gz BNKRFNCFNRBBFN-ZJSXRUAMSA-N 1 2 478.638 1.488 20 0 JDADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)O ZINC001502143881 1069828614 /nfs/dbraw/zinc/82/86/14/1069828614.db2.gz NVJIBONNQMTEAQ-QGZVFWFLSA-N 1 2 479.651 1.797 20 0 JDADLO CCN(C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)C1)CC(F)(F)F ZINC001502150873 1069829398 /nfs/dbraw/zinc/82/93/98/1069829398.db2.gz HFQHIGOKCASKHM-FGTMMUONSA-N 1 2 487.571 1.660 20 0 JDADLO 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1 2 459.012 1.683 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC3CCN(c4cccnn4)CC3)C2)CC1 ZINC001478433874 1069996330 /nfs/dbraw/zinc/99/63/30/1069996330.db2.gz XEELPBCMNYEDDR-IBGZPJMESA-N 1 2 459.595 1.782 20 0 JDADLO O=C(NCCS(=O)(=O)CCc1ccccc1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001478518824 1070010977 /nfs/dbraw/zinc/01/09/77/1070010977.db2.gz VHZOXYIZPZMXQH-DHIUTWEWSA-N 1 2 459.612 1.826 20 0 JDADLO O=C(NCCS(=O)(=O)CCc1ccccc1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001478518824 1070010996 /nfs/dbraw/zinc/01/09/96/1070010996.db2.gz VHZOXYIZPZMXQH-DHIUTWEWSA-N 1 2 459.612 1.826 20 0 JDADLO COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CC[NH+](Cc4cccs4)CC3)C2)cc1 ZINC001478598278 1070025980 /nfs/dbraw/zinc/02/59/80/1070025980.db2.gz NJXBNVKBYSTCFN-UHFFFAOYSA-N 1 2 450.586 1.657 20 0 JDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC001478609065 1070029787 /nfs/dbraw/zinc/02/97/87/1070029787.db2.gz MTIKMRDJSIORLX-OLZOCXBDSA-N 1 2 453.392 1.680 20 0 JDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC001478609065 1070029807 /nfs/dbraw/zinc/02/98/07/1070029807.db2.gz MTIKMRDJSIORLX-OLZOCXBDSA-N 1 2 453.392 1.680 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(CC)C(=O)C2)c[nH+]1 ZINC001502301245 1070046226 /nfs/dbraw/zinc/04/62/26/1070046226.db2.gz AUTSEZHQZZQLFC-KRWDZBQOSA-N 1 2 492.650 1.236 20 0 JDADLO CCN1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001502302519 1070050176 /nfs/dbraw/zinc/05/01/76/1070050176.db2.gz MVDBBIDACJOTOV-WMZHIEFXSA-N 1 2 464.611 1.098 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)C2)c1 ZINC001478860516 1070060323 /nfs/dbraw/zinc/06/03/23/1070060323.db2.gz AWEKERVNBMTPCH-PMACEKPBSA-N 1 2 459.568 1.730 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)C2)c1 ZINC001478860516 1070060342 /nfs/dbraw/zinc/06/03/42/1070060342.db2.gz AWEKERVNBMTPCH-PMACEKPBSA-N 1 2 459.568 1.730 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)c1 ZINC001478860519 1070060459 /nfs/dbraw/zinc/06/04/59/1070060459.db2.gz AWEKERVNBMTPCH-WOJBJXKFSA-N 1 2 459.568 1.730 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)c1 ZINC001478860519 1070060477 /nfs/dbraw/zinc/06/04/77/1070060477.db2.gz AWEKERVNBMTPCH-WOJBJXKFSA-N 1 2 459.568 1.730 20 0 JDADLO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001479135030 1070091540 /nfs/dbraw/zinc/09/15/40/1070091540.db2.gz RQLJMVLFQOEEAN-WJOKGBTCSA-N 1 2 459.609 1.278 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001479137808 1070092723 /nfs/dbraw/zinc/09/27/23/1070092723.db2.gz GMSDPVUKZFHFNX-HXUWFJFHSA-N 1 2 450.580 1.724 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001479137808 1070092742 /nfs/dbraw/zinc/09/27/42/1070092742.db2.gz GMSDPVUKZFHFNX-HXUWFJFHSA-N 1 2 450.580 1.724 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001479137803 1070092958 /nfs/dbraw/zinc/09/29/58/1070092958.db2.gz GMSDPVUKZFHFNX-FQEVSTJZSA-N 1 2 450.580 1.724 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001479137803 1070092970 /nfs/dbraw/zinc/09/29/70/1070092970.db2.gz GMSDPVUKZFHFNX-FQEVSTJZSA-N 1 2 450.580 1.724 20 0 JDADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502314894 1070096607 /nfs/dbraw/zinc/09/66/07/1070096607.db2.gz CSPZTENDYXKNPS-OAQYLSRUSA-N 1 2 469.634 1.826 20 0 JDADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502315368 1070100775 /nfs/dbraw/zinc/10/07/75/1070100775.db2.gz MMSVAMSSXUKREI-NHCUHLMSSA-N 1 2 469.634 1.893 20 0 JDADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502315513 1070102916 /nfs/dbraw/zinc/10/29/16/1070102916.db2.gz PHTGLOYQFDCZDJ-GMAHTHKFSA-N 1 2 499.660 1.451 20 0 JDADLO COC(=O)c1cnc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001479334184 1070128722 /nfs/dbraw/zinc/12/87/22/1070128722.db2.gz CQJZWDBPCVEAIZ-CQSZACIVSA-N 1 2 453.565 1.766 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001502319626 1070134835 /nfs/dbraw/zinc/13/48/35/1070134835.db2.gz SAWRZMPZMWMHDY-WFXMLNOXSA-N 1 2 455.625 1.284 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001502319626 1070134848 /nfs/dbraw/zinc/13/48/48/1070134848.db2.gz SAWRZMPZMWMHDY-WFXMLNOXSA-N 1 2 455.625 1.284 20 0 JDADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001479391383 1070140924 /nfs/dbraw/zinc/14/09/24/1070140924.db2.gz CZDYKOIYMQEAMU-IBGZPJMESA-N 1 2 454.365 1.891 20 0 JDADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001479391383 1070140946 /nfs/dbraw/zinc/14/09/46/1070140946.db2.gz CZDYKOIYMQEAMU-IBGZPJMESA-N 1 2 454.365 1.891 20 0 JDADLO CCO[C@H](C)c1nc(CN2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)cs1 ZINC001479392457 1070143230 /nfs/dbraw/zinc/14/32/30/1070143230.db2.gz OYGSWUYJDPPADV-QGZVFWFLSA-N 1 2 453.609 1.517 20 0 JDADLO CCO[C@H](C)c1nc(CN2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)cs1 ZINC001479392457 1070143244 /nfs/dbraw/zinc/14/32/44/1070143244.db2.gz OYGSWUYJDPPADV-QGZVFWFLSA-N 1 2 453.609 1.517 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)C[C@H]1C ZINC001502326990 1070150062 /nfs/dbraw/zinc/15/00/62/1070150062.db2.gz GRHXBJNLMJZPOU-IAGOWNOFSA-N 1 2 478.594 1.280 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)C[C@H]1C ZINC001502326990 1070150067 /nfs/dbraw/zinc/15/00/67/1070150067.db2.gz GRHXBJNLMJZPOU-IAGOWNOFSA-N 1 2 478.594 1.280 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001502328119 1070160132 /nfs/dbraw/zinc/16/01/32/1070160132.db2.gz ZKVQLLNYVAWMIF-DOTOQJQBSA-N 1 2 464.592 1.171 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001502328119 1070160146 /nfs/dbraw/zinc/16/01/46/1070160146.db2.gz ZKVQLLNYVAWMIF-DOTOQJQBSA-N 1 2 464.592 1.171 20 0 JDADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCN(C)c3ccccc3)C2)CC1 ZINC001502332771 1070172515 /nfs/dbraw/zinc/17/25/15/1070172515.db2.gz ROXWMOTZVRFBRZ-JOCHJYFZSA-N 1 2 468.650 1.769 20 0 JDADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC3(COC)CCC3)C2)CC1 ZINC001502332585 1070171601 /nfs/dbraw/zinc/17/16/01/1070171601.db2.gz NQDQWNWEMWWTIR-FQEVSTJZSA-N 1 2 461.655 1.839 20 0 JDADLO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502331875 1070168014 /nfs/dbraw/zinc/16/80/14/1070168014.db2.gz YRNDIDJAJGMWJF-WMZHIEFXSA-N 1 2 477.631 1.554 20 0 JDADLO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502331875 1070168029 /nfs/dbraw/zinc/16/80/29/1070168029.db2.gz YRNDIDJAJGMWJF-WMZHIEFXSA-N 1 2 477.631 1.554 20 0 JDADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCOc3ncccc3Cl)C2)CC1 ZINC001502332149 1070169944 /nfs/dbraw/zinc/16/99/44/1070169944.db2.gz DZZDZTXHDDZYJD-GOSISDBHSA-N 1 2 491.040 1.760 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)CC2CC2)C[C@@H]1C ZINC001502332744 1070173000 /nfs/dbraw/zinc/17/30/00/1070173000.db2.gz RGBOSKJHYVJHBA-WDSOQIARSA-N 1 2 455.625 1.357 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)CC2CC2)C[C@@H]1C ZINC001502332744 1070173018 /nfs/dbraw/zinc/17/30/18/1070173018.db2.gz RGBOSKJHYVJHBA-WDSOQIARSA-N 1 2 455.625 1.357 20 0 JDADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001502332840 1070173317 /nfs/dbraw/zinc/17/33/17/1070173317.db2.gz TXDYKGQTPXBKGS-MOPGFXCFSA-N 1 2 492.669 1.546 20 0 JDADLO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001493076914 1070200545 /nfs/dbraw/zinc/20/05/45/1070200545.db2.gz CKDJALUDULECOC-LJQANCHMSA-N 1 2 474.610 1.849 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H]3CCCCO3)CC2)on1 ZINC001493154025 1070218655 /nfs/dbraw/zinc/21/86/55/1070218655.db2.gz XCOGZDQFACOWJA-SJORKVTESA-N 1 2 467.596 1.076 20 0 JDADLO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001493168062 1070227170 /nfs/dbraw/zinc/22/71/70/1070227170.db2.gz AHYWLNTZUWAFQV-QFBILLFUSA-N 1 2 486.598 1.911 20 0 JDADLO C[C@H]1C[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001493341018 1070295002 /nfs/dbraw/zinc/29/50/02/1070295002.db2.gz NAHHTEGGMAMVCK-ZWKOTPCHSA-N 1 2 462.620 1.853 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001502377546 1070322531 /nfs/dbraw/zinc/32/25/31/1070322531.db2.gz KVJMATNCBXLXBG-QGZVFWFLSA-N 1 2 468.606 1.292 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001502377544 1070322745 /nfs/dbraw/zinc/32/27/45/1070322745.db2.gz KVJMATNCBXLXBG-KRWDZBQOSA-N 1 2 468.606 1.292 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001502377772 1070322791 /nfs/dbraw/zinc/32/27/91/1070322791.db2.gz NISHMTPYVMBBST-UHFFFAOYSA-N 1 2 472.638 1.436 20 0 JDADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC(=O)N(C)C)CC1 ZINC001493648538 1070324610 /nfs/dbraw/zinc/32/46/10/1070324610.db2.gz JGKJKPKOBPUHFH-LJQANCHMSA-N 1 2 468.606 1.341 20 0 JDADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)C)CC1 ZINC001493651562 1070325114 /nfs/dbraw/zinc/32/51/14/1070325114.db2.gz UPLWTNHGEXDDIW-QGZVFWFLSA-N 1 2 489.024 1.605 20 0 JDADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCCCCO)CC1 ZINC001493650880 1070325176 /nfs/dbraw/zinc/32/51/76/1070325176.db2.gz RDUHTXCFYCQQSV-HXUWFJFHSA-N 1 2 470.622 1.811 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001502386561 1070331662 /nfs/dbraw/zinc/33/16/62/1070331662.db2.gz YNZPRSHJAZOWJJ-UHFFFAOYSA-N 1 2 463.590 1.851 20 0 JDADLO CCNC(=O)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC001502414510 1070352708 /nfs/dbraw/zinc/35/27/08/1070352708.db2.gz NLYNUHZEVBAGGA-FXAWDEMLSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC001502414510 1070352730 /nfs/dbraw/zinc/35/27/30/1070352730.db2.gz NLYNUHZEVBAGGA-FXAWDEMLSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC001502419000 1070358469 /nfs/dbraw/zinc/35/84/69/1070358469.db2.gz HJMFHCPTCHPKHR-YLJYHZDGSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC001502419000 1070358490 /nfs/dbraw/zinc/35/84/90/1070358490.db2.gz HJMFHCPTCHPKHR-YLJYHZDGSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC001502418999 1070358714 /nfs/dbraw/zinc/35/87/14/1070358714.db2.gz HJMFHCPTCHPKHR-XLIONFOSSA-N 1 2 474.631 1.509 20 0 JDADLO CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC001502418999 1070358733 /nfs/dbraw/zinc/35/87/33/1070358733.db2.gz HJMFHCPTCHPKHR-XLIONFOSSA-N 1 2 474.631 1.509 20 0 JDADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001493855116 1070363283 /nfs/dbraw/zinc/36/32/83/1070363283.db2.gz UZQXFGRDQIMIQN-CEXWTWQISA-N 1 2 491.637 1.643 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001502422659 1070364653 /nfs/dbraw/zinc/36/46/53/1070364653.db2.gz GNDWKVPBPVIHIU-GOSISDBHSA-N 1 2 470.626 1.160 20 0 JDADLO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)[C@H]1C ZINC001493972494 1070373881 /nfs/dbraw/zinc/37/38/81/1070373881.db2.gz KCIJDNZBTVDXHD-SQNIBIBYSA-N 1 2 463.608 1.743 20 0 JDADLO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C[C@@H](C)O1 ZINC001494097797 1070393678 /nfs/dbraw/zinc/39/36/78/1070393678.db2.gz WTEMRZVUMFICGB-IAGOWNOFSA-N 1 2 477.635 1.636 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001502436088 1070399503 /nfs/dbraw/zinc/39/95/03/1070399503.db2.gz PWDDOGYKRDJXIY-UHFFFAOYSA-N 1 2 492.628 1.933 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494127298 1070415080 /nfs/dbraw/zinc/41/50/80/1070415080.db2.gz HKYWCWJVZRRWJB-HOTGVXAUSA-N 1 2 463.608 1.403 20 0 JDADLO CCNC(=O)N1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001502441641 1070418422 /nfs/dbraw/zinc/41/84/22/1070418422.db2.gz MMUVDOZLZJBKFU-QHCPKHFHSA-N 1 2 472.594 1.291 20 0 JDADLO C[C@H]1CN(c2ccc(Cn3c(-c4cnccn4)nnc3N(C)CC(=O)NC(C)(C)C)c[nH+]2)CCO1 ZINC001494129686 1070418866 /nfs/dbraw/zinc/41/88/66/1070418866.db2.gz PGTOYWRPWPGBCP-KRWDZBQOSA-N 1 2 479.589 1.754 20 0 JDADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494134941 1070423161 /nfs/dbraw/zinc/42/31/61/1070423161.db2.gz BTHPZPOHKAAZJB-DLBZAZTESA-N 1 2 462.620 1.768 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494134776 1070423427 /nfs/dbraw/zinc/42/34/27/1070423427.db2.gz ANNOJPZRMMXYIF-ROUUACIJSA-N 1 2 464.574 1.632 20 0 JDADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494134946 1070423481 /nfs/dbraw/zinc/42/34/81/1070423481.db2.gz BTHPZPOHKAAZJB-IRXDYDNUSA-N 1 2 462.620 1.768 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494135324 1070425243 /nfs/dbraw/zinc/42/52/43/1070425243.db2.gz DNDGVYOWNGFCEJ-QZTJIDSGSA-N 1 2 464.574 1.632 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001502456532 1070466368 /nfs/dbraw/zinc/46/63/68/1070466368.db2.gz DXWMRAVAKZIICQ-LJQANCHMSA-N 1 2 471.606 1.450 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001494189987 1070461573 /nfs/dbraw/zinc/46/15/73/1070461573.db2.gz GJQDCDHQIQNSAX-ROUUACIJSA-N 1 2 477.635 1.937 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502459088 1070472520 /nfs/dbraw/zinc/47/25/20/1070472520.db2.gz NGIKTWIUTRKFOM-FQEVSTJZSA-N 1 2 471.606 1.472 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502459088 1070472542 /nfs/dbraw/zinc/47/25/42/1070472542.db2.gz NGIKTWIUTRKFOM-FQEVSTJZSA-N 1 2 471.606 1.472 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(COCC)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1 ZINC001502461067 1070480609 /nfs/dbraw/zinc/48/06/09/1070480609.db2.gz JSGDITSJGLTYPL-GOSISDBHSA-N 1 2 472.594 1.335 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001502466178 1070509833 /nfs/dbraw/zinc/50/98/33/1070509833.db2.gz MRRJJFLIPFMIIS-PKOBYXMFSA-N 1 2 477.635 1.590 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C)n2C[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC001502466819 1070516013 /nfs/dbraw/zinc/51/60/13/1070516013.db2.gz XTDDWOUHWUXBFY-IRXDYDNUSA-N 1 2 454.622 1.240 20 0 JDADLO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)CCCO1 ZINC001494362862 1070568271 /nfs/dbraw/zinc/56/82/71/1070568271.db2.gz INNHSTIXRFOILF-ROUUACIJSA-N 1 2 479.607 1.123 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001502480867 1070577575 /nfs/dbraw/zinc/57/75/75/1070577575.db2.gz XTBIZTBHFMPFDP-FPOVZHCZSA-N 1 2 476.647 1.416 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001502480867 1070577588 /nfs/dbraw/zinc/57/75/88/1070577588.db2.gz XTBIZTBHFMPFDP-FPOVZHCZSA-N 1 2 476.647 1.416 20 0 JDADLO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001494464302 1070592343 /nfs/dbraw/zinc/59/23/43/1070592343.db2.gz IKPFYNJQCWVJSU-QRVBRYPASA-N 1 2 491.637 1.471 20 0 JDADLO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001494464302 1070592367 /nfs/dbraw/zinc/59/23/67/1070592367.db2.gz IKPFYNJQCWVJSU-QRVBRYPASA-N 1 2 491.637 1.471 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502492116 1070605885 /nfs/dbraw/zinc/60/58/85/1070605885.db2.gz NLPDZFHZXIAVNB-QZTJIDSGSA-N 1 2 454.572 1.001 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502492116 1070605899 /nfs/dbraw/zinc/60/58/99/1070605899.db2.gz NLPDZFHZXIAVNB-QZTJIDSGSA-N 1 2 454.572 1.001 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001502509715 1070630253 /nfs/dbraw/zinc/63/02/53/1070630253.db2.gz SIDAXISFXUCQNB-OALUTQOASA-N 1 2 480.610 1.391 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001502525692 1070644521 /nfs/dbraw/zinc/64/45/21/1070644521.db2.gz XWUOKKWSKXUDRP-YCRNBWNJSA-N 1 2 480.610 1.366 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001502525690 1070644637 /nfs/dbraw/zinc/64/46/37/1070644637.db2.gz XWUOKKWSKXUDRP-DNVFCKCGSA-N 1 2 480.610 1.366 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 ZINC001494600979 1070649889 /nfs/dbraw/zinc/64/98/89/1070649889.db2.gz BJOWHQHYZASOJJ-ROUUACIJSA-N 1 2 477.610 1.397 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 ZINC001494600979 1070649892 /nfs/dbraw/zinc/64/98/92/1070649892.db2.gz BJOWHQHYZASOJJ-ROUUACIJSA-N 1 2 477.610 1.397 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCN(C)c1ccccc1 ZINC001494601022 1070649939 /nfs/dbraw/zinc/64/99/39/1070649939.db2.gz BXBSWSRXHGGGAB-HXUWFJFHSA-N 1 2 455.607 1.694 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCN(C)c1ccccc1 ZINC001494601022 1070649944 /nfs/dbraw/zinc/64/99/44/1070649944.db2.gz BXBSWSRXHGGGAB-HXUWFJFHSA-N 1 2 455.607 1.694 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001494601671 1070650910 /nfs/dbraw/zinc/65/09/10/1070650910.db2.gz IZLRYKUEQPHONV-MOPGFXCFSA-N 1 2 491.637 1.567 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001494601671 1070650917 /nfs/dbraw/zinc/65/09/17/1070650917.db2.gz IZLRYKUEQPHONV-MOPGFXCFSA-N 1 2 491.637 1.567 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494601968 1070651719 /nfs/dbraw/zinc/65/17/19/1070651719.db2.gz CNTNHMSTJJVYQX-DOTOQJQBSA-N 1 2 474.528 1.398 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494601968 1070651724 /nfs/dbraw/zinc/65/17/24/1070651724.db2.gz CNTNHMSTJJVYQX-DOTOQJQBSA-N 1 2 474.528 1.398 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001494602239 1070651752 /nfs/dbraw/zinc/65/17/52/1070651752.db2.gz MCVLEFKKZBVZAT-IBGZPJMESA-N 1 2 492.646 1.138 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001494602239 1070651758 /nfs/dbraw/zinc/65/17/58/1070651758.db2.gz MCVLEFKKZBVZAT-IBGZPJMESA-N 1 2 492.646 1.138 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C ZINC001494603628 1070655984 /nfs/dbraw/zinc/65/59/84/1070655984.db2.gz TUDBHZDHCOJVPF-QGZVFWFLSA-N 1 2 471.606 1.838 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494602589 1070652994 /nfs/dbraw/zinc/65/29/94/1070652994.db2.gz FXVMGWVAUSOJKR-QGZVFWFLSA-N 1 2 495.550 1.880 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494602589 1070653002 /nfs/dbraw/zinc/65/30/02/1070653002.db2.gz FXVMGWVAUSOJKR-QGZVFWFLSA-N 1 2 495.550 1.880 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C ZINC001494603628 1070656000 /nfs/dbraw/zinc/65/60/00/1070656000.db2.gz TUDBHZDHCOJVPF-QGZVFWFLSA-N 1 2 471.606 1.838 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001494603337 1070654162 /nfs/dbraw/zinc/65/41/62/1070654162.db2.gz JDHZKCONOCKDGG-QZTJIDSGSA-N 1 2 464.611 1.996 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001494603337 1070654174 /nfs/dbraw/zinc/65/41/74/1070654174.db2.gz JDHZKCONOCKDGG-QZTJIDSGSA-N 1 2 464.611 1.996 20 0 JDADLO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001502533679 1070656627 /nfs/dbraw/zinc/65/66/27/1070656627.db2.gz QPPKUPFPRDVKQD-ICSRJNTNSA-N 1 2 457.579 1.700 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494604400 1070657495 /nfs/dbraw/zinc/65/74/95/1070657495.db2.gz NXNZQZYAPYNUBQ-MRXNPFEDSA-N 1 2 478.544 1.339 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494604400 1070657504 /nfs/dbraw/zinc/65/75/04/1070657504.db2.gz NXNZQZYAPYNUBQ-MRXNPFEDSA-N 1 2 478.544 1.339 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001494605376 1070659734 /nfs/dbraw/zinc/65/97/34/1070659734.db2.gz WQCYNRIRLOYIPL-LJQANCHMSA-N 1 2 455.607 1.679 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001494605376 1070659744 /nfs/dbraw/zinc/65/97/44/1070659744.db2.gz WQCYNRIRLOYIPL-LJQANCHMSA-N 1 2 455.607 1.679 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001494605277 1070660175 /nfs/dbraw/zinc/66/01/75/1070660175.db2.gz UWIQJYDTDOQOSR-IXDOHACOSA-N 1 2 474.528 1.745 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001494605277 1070660185 /nfs/dbraw/zinc/66/01/85/1070660185.db2.gz UWIQJYDTDOQOSR-IXDOHACOSA-N 1 2 474.528 1.745 20 0 JDADLO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001494700037 1070711477 /nfs/dbraw/zinc/71/14/77/1070711477.db2.gz XDKUMWHBQDOPOL-SFHVURJKSA-N 1 2 484.605 1.531 20 0 JDADLO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001494700037 1070711479 /nfs/dbraw/zinc/71/14/79/1070711479.db2.gz XDKUMWHBQDOPOL-SFHVURJKSA-N 1 2 484.605 1.531 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CC(=O)NC(C)C)n2CCc2cn3ccccc3[nH+]2)CCOC1 ZINC001502624304 1070704564 /nfs/dbraw/zinc/70/45/64/1070704564.db2.gz AEJDTBNCKNBFQE-QHCPKHFHSA-N 1 2 455.563 1.781 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502625303 1070709189 /nfs/dbraw/zinc/70/91/89/1070709189.db2.gz QZNLSJSJOLDEAD-HSZRJFAPSA-N 1 2 459.595 1.790 20 0 JDADLO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001494700035 1070711182 /nfs/dbraw/zinc/71/11/82/1070711182.db2.gz XDKUMWHBQDOPOL-GOSISDBHSA-N 1 2 484.605 1.531 20 0 JDADLO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001494700035 1070711201 /nfs/dbraw/zinc/71/12/01/1070711201.db2.gz XDKUMWHBQDOPOL-GOSISDBHSA-N 1 2 484.605 1.531 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CCC(=O)NC(C)(C)C)CCOC1 ZINC001502654140 1070725841 /nfs/dbraw/zinc/72/58/41/1070725841.db2.gz BLFDDURJWBAEPN-QFIPXVFZSA-N 1 2 452.600 1.003 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCOC1 ZINC001502655420 1070729711 /nfs/dbraw/zinc/72/97/11/1070729711.db2.gz UPGSODNOCBROAS-NQIIRXRSSA-N 1 2 490.571 1.583 20 0 JDADLO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001494756585 1070733000 /nfs/dbraw/zinc/73/30/00/1070733000.db2.gz GIXSSIOJAPNXIE-NRSPTQNISA-N 1 2 494.706 1.995 20 0 JDADLO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001494756585 1070733016 /nfs/dbraw/zinc/73/30/16/1070733016.db2.gz GIXSSIOJAPNXIE-NRSPTQNISA-N 1 2 494.706 1.995 20 0 JDADLO CCO[C@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502668160 1070748483 /nfs/dbraw/zinc/74/84/83/1070748483.db2.gz CFDMTDADOCSDEB-OAQYLSRUSA-N 1 2 486.539 1.793 20 0 JDADLO CC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001494798931 1070748624 /nfs/dbraw/zinc/74/86/24/1070748624.db2.gz XJFKYTIREQQHMU-NTKDMRAZSA-N 1 2 455.607 1.942 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(C)(COC)CC3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502672252 1070756121 /nfs/dbraw/zinc/75/61/21/1070756121.db2.gz KOUCSSCTOQVOKI-WMZHIEFXSA-N 1 2 451.612 1.904 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(C)(COC)CC3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502672253 1070756527 /nfs/dbraw/zinc/75/65/27/1070756527.db2.gz KOUCSSCTOQVOKI-XXBNENTESA-N 1 2 451.612 1.904 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(CC(=O)NC)CC3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502678891 1070766142 /nfs/dbraw/zinc/76/61/42/1070766142.db2.gz UQBJPNXMJRYZRW-JPYJTQIMSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(N(C)C(C)=O)CC3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001502682138 1070775870 /nfs/dbraw/zinc/77/58/70/1070775870.db2.gz VBHQKUFUVWJWPV-XMMPIXPASA-N 1 2 478.638 1.488 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001494916201 1070773297 /nfs/dbraw/zinc/77/32/97/1070773297.db2.gz JKTKUSPQRXXMHJ-SPEDKVCISA-N 1 2 469.652 1.278 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502682892 1070778018 /nfs/dbraw/zinc/77/80/18/1070778018.db2.gz HKAKLWXYLQDCBU-VWLOTQADSA-N 1 2 492.665 1.782 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502682892 1070778033 /nfs/dbraw/zinc/77/80/33/1070778033.db2.gz HKAKLWXYLQDCBU-VWLOTQADSA-N 1 2 492.665 1.782 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001494936153 1070778918 /nfs/dbraw/zinc/77/89/18/1070778918.db2.gz VQDMFHIGFKNRGS-WZOHSFFVSA-N 1 2 489.665 1.331 20 0 JDADLO CC[C@H](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)OC ZINC001495004074 1070788368 /nfs/dbraw/zinc/78/83/68/1070788368.db2.gz FRWAUGJOVYFETN-LRSLUSHPSA-N 1 2 491.681 1.522 20 0 JDADLO CC[C@H](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)OC ZINC001495004070 1070788448 /nfs/dbraw/zinc/78/84/48/1070788448.db2.gz FRWAUGJOVYFETN-CBPXPLCBSA-N 1 2 491.681 1.522 20 0 JDADLO CC[C@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495068290 1070797356 /nfs/dbraw/zinc/79/73/56/1070797356.db2.gz YVIUPSZGLOHUGI-PZJWPPBQSA-N 1 2 469.638 1.851 20 0 JDADLO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001495448478 1070803871 /nfs/dbraw/zinc/80/38/71/1070803871.db2.gz ACKBYNMPDCAPBI-KRWDZBQOSA-N 1 2 454.641 1.422 20 0 JDADLO COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC001504049874 1070806373 /nfs/dbraw/zinc/80/63/73/1070806373.db2.gz VUNABLYDMSGSOV-KRWDZBQOSA-N 1 2 463.608 1.569 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001495586544 1070807946 /nfs/dbraw/zinc/80/79/46/1070807946.db2.gz CHNHVUKDKUPGPK-NVXWUHKLSA-N 1 2 452.567 1.833 20 0 JDADLO CCO[C@]1(c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502699883 1070810303 /nfs/dbraw/zinc/81/03/03/1070810303.db2.gz MEOJHCDSOACTOT-WMZHIEFXSA-N 1 2 492.646 1.843 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502699884 1070810326 /nfs/dbraw/zinc/81/03/26/1070810326.db2.gz MEOJHCDSOACTOT-XXBNENTESA-N 1 2 492.646 1.843 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCCC[C@@H](COC)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502702258 1070810805 /nfs/dbraw/zinc/81/08/05/1070810805.db2.gz VNAYOGIQCHVXIZ-QPPBQGQZSA-N 1 2 478.638 1.347 20 0 JDADLO CCO[C@]1(c2nnc(N3CCCC[C@H](SC)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502704971 1070811295 /nfs/dbraw/zinc/81/12/95/1070811295.db2.gz NANXWZRTYCNNEY-NZQKXSOJSA-N 1 2 480.679 1.816 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCCC[C@@H](SC)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502704972 1070811331 /nfs/dbraw/zinc/81/13/31/1070811331.db2.gz NANXWZRTYCNNEY-OFNKIYASSA-N 1 2 480.679 1.816 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495691000 1070814732 /nfs/dbraw/zinc/81/47/32/1070814732.db2.gz QXALMVWSGNEUDC-FQEVSTJZSA-N 1 2 474.654 1.684 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001495693657 1070815218 /nfs/dbraw/zinc/81/52/18/1070815218.db2.gz GXJCZCFCEUUGOU-FQEVSTJZSA-N 1 2 470.622 1.670 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495768040 1070819526 /nfs/dbraw/zinc/81/95/26/1070819526.db2.gz WPSPQKQFKJFXDC-GOSISDBHSA-N 1 2 455.611 1.381 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495768041 1070819710 /nfs/dbraw/zinc/81/97/10/1070819710.db2.gz WPSPQKQFKJFXDC-SFHVURJKSA-N 1 2 455.611 1.381 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001495803957 1070822391 /nfs/dbraw/zinc/82/23/91/1070822391.db2.gz MRWZLLUVKQXNCR-UYAOXDASSA-N 1 2 472.638 1.759 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCC(=O)N[C@H](C)CC)CCOC1 ZINC001502719356 1070827884 /nfs/dbraw/zinc/82/78/84/1070827884.db2.gz YJFCCLAVSOAASN-DVECYGJZSA-N 1 2 471.606 1.957 20 0 JDADLO COc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)cc(OC)c1 ZINC001504091193 1070827910 /nfs/dbraw/zinc/82/79/10/1070827910.db2.gz MHAMQGYBKNYRQB-UZLBHIALSA-N 1 2 458.563 1.604 20 0 JDADLO COc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)cc(OC)c1 ZINC001504091193 1070827912 /nfs/dbraw/zinc/82/79/12/1070827912.db2.gz MHAMQGYBKNYRQB-UZLBHIALSA-N 1 2 458.563 1.604 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001495844668 1070823036 /nfs/dbraw/zinc/82/30/36/1070823036.db2.gz KOXYAPVOHBFTBJ-SFHVURJKSA-N 1 2 457.579 1.367 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001495845252 1070823065 /nfs/dbraw/zinc/82/30/65/1070823065.db2.gz MXMRRGOAGRUYNO-SFHVURJKSA-N 1 2 457.579 1.367 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001495845251 1070823136 /nfs/dbraw/zinc/82/31/36/1070823136.db2.gz MXMRRGOAGRUYNO-GOSISDBHSA-N 1 2 457.579 1.367 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2C[C@H](C)OC)CCOC1 ZINC001502714980 1070823453 /nfs/dbraw/zinc/82/34/53/1070823453.db2.gz SMUAZMNAAJSIMW-YCRNBWNJSA-N 1 2 464.611 1.098 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001495849370 1070824039 /nfs/dbraw/zinc/82/40/39/1070824039.db2.gz GLICZOPPWNWVRK-DLBZAZTESA-N 1 2 477.639 1.374 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001495849370 1070824045 /nfs/dbraw/zinc/82/40/45/1070824045.db2.gz GLICZOPPWNWVRK-DLBZAZTESA-N 1 2 477.639 1.374 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 ZINC001502721314 1070828974 /nfs/dbraw/zinc/82/89/74/1070828974.db2.gz FLNNPZLGPYPBQS-UTKZUKDTSA-N 1 2 455.625 1.285 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 ZINC001502721314 1070828982 /nfs/dbraw/zinc/82/89/82/1070828982.db2.gz FLNNPZLGPYPBQS-UTKZUKDTSA-N 1 2 455.625 1.285 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502721593 1070829644 /nfs/dbraw/zinc/82/96/44/1070829644.db2.gz HNZLECIRYNTFBD-DBXWQHBBSA-N 1 2 490.571 1.724 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502721593 1070829645 /nfs/dbraw/zinc/82/96/45/1070829645.db2.gz HNZLECIRYNTFBD-DBXWQHBBSA-N 1 2 490.571 1.724 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502721594 1070829709 /nfs/dbraw/zinc/82/97/09/1070829709.db2.gz HNZLECIRYNTFBD-LVCYWYKZSA-N 1 2 490.571 1.724 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502721594 1070829711 /nfs/dbraw/zinc/82/97/11/1070829711.db2.gz HNZLECIRYNTFBD-LVCYWYKZSA-N 1 2 490.571 1.724 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 ZINC001502722649 1070830897 /nfs/dbraw/zinc/83/08/97/1070830897.db2.gz NKCJYFINLLIDFT-DENIHFKCSA-N 1 2 469.652 1.676 20 0 JDADLO COc1cc(Cl)ccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1CCS(=O)(=O)N(C)C ZINC001504103154 1070833858 /nfs/dbraw/zinc/83/38/58/1070833858.db2.gz PKWNFEKRCOKZBC-UHFFFAOYSA-N 1 2 487.026 1.267 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001496215723 1070836796 /nfs/dbraw/zinc/83/67/96/1070836796.db2.gz XHNWFCZWMQOODP-INIZCTEOSA-N 1 2 456.595 1.745 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[NH+](Cc4cc(F)ccc4OC)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001502726381 1070837067 /nfs/dbraw/zinc/83/70/67/1070837067.db2.gz UQJSZRSLNRZPEP-DEOSSOPVSA-N 1 2 490.580 1.488 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001496219209 1070837125 /nfs/dbraw/zinc/83/71/25/1070837125.db2.gz AOEJDTLJCUOEHC-HOTGVXAUSA-N 1 2 492.650 1.217 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001496224469 1070837857 /nfs/dbraw/zinc/83/78/57/1070837857.db2.gz VEGXFZGTJBDBFU-LJQANCHMSA-N 1 2 485.637 1.660 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001496224469 1070837858 /nfs/dbraw/zinc/83/78/58/1070837858.db2.gz VEGXFZGTJBDBFU-LJQANCHMSA-N 1 2 485.637 1.660 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502729980 1070840921 /nfs/dbraw/zinc/84/09/21/1070840921.db2.gz UWARRHNUECCZBC-TXPKVOOTSA-N 1 2 463.501 1.418 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001496259112 1070842069 /nfs/dbraw/zinc/84/20/69/1070842069.db2.gz SFKARAQIMIGLTG-HBMCJLEFSA-N 1 2 489.665 1.610 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001496238241 1070839312 /nfs/dbraw/zinc/83/93/12/1070839312.db2.gz QHHFMLFOJNRFQP-QGZVFWFLSA-N 1 2 458.563 1.747 20 0 JDADLO COc1cc(OC)cc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCCS(C)(=O)=O)c1 ZINC001504132387 1070849673 /nfs/dbraw/zinc/84/96/73/1070849673.db2.gz WWOVKTJQQDBBGO-UHFFFAOYSA-N 1 2 463.604 1.929 20 0 JDADLO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCOCC1 ZINC001496650977 1070855219 /nfs/dbraw/zinc/85/52/19/1070855219.db2.gz MFOBLKNBCGDMCQ-IBGZPJMESA-N 1 2 465.624 1.050 20 0 JDADLO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001496651468 1070855599 /nfs/dbraw/zinc/85/55/99/1070855599.db2.gz RSKCMMSBKFWKNV-UYAOXDASSA-N 1 2 477.635 1.495 20 0 JDADLO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001496658327 1070855986 /nfs/dbraw/zinc/85/59/86/1070855986.db2.gz BYWYAPKNYIBJQQ-MSYCTHLASA-N 1 2 496.678 1.019 20 0 JDADLO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001496657882 1070856050 /nfs/dbraw/zinc/85/60/50/1070856050.db2.gz BJKFJLCKDQWZPJ-MHTWAQMVSA-N 1 2 499.678 1.167 20 0 JDADLO CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001496657881 1070856077 /nfs/dbraw/zinc/85/60/77/1070856077.db2.gz BJKFJLCKDQWZPJ-JSXRDJHFSA-N 1 2 499.678 1.167 20 0 JDADLO COc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(O)CCOCC2)cc1OC ZINC001504167635 1070862020 /nfs/dbraw/zinc/86/20/20/1070862020.db2.gz BOCZFERUEJWJRR-UHFFFAOYSA-N 1 2 461.563 1.272 20 0 JDADLO CCOc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001502833549 1070865452 /nfs/dbraw/zinc/86/54/52/1070865452.db2.gz MMWLKSLSLVMRTH-HXUWFJFHSA-N 1 2 499.616 1.437 20 0 JDADLO COc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC(=O)N(C)C)c(OC)c1 ZINC001504181707 1070866932 /nfs/dbraw/zinc/86/69/32/1070866932.db2.gz DMLIWGLMSKWMEG-LJQANCHMSA-N 1 2 485.633 1.655 20 0 JDADLO COc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC(=O)N(C)C)c(OC)c1 ZINC001504181703 1070867031 /nfs/dbraw/zinc/86/70/31/1070867031.db2.gz DMLIWGLMSKWMEG-IBGZPJMESA-N 1 2 485.633 1.655 20 0 JDADLO COc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2CCNS(C)(=O)=O)cc1 ZINC001504182784 1070867519 /nfs/dbraw/zinc/86/75/19/1070867519.db2.gz LGBALQPCUFCUOL-FQEVSTJZSA-N 1 2 491.662 1.108 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@H]1C)CC2 ZINC001502872626 1070871838 /nfs/dbraw/zinc/87/18/38/1070871838.db2.gz MLPFKHDCHWLQSL-QZTJIDSGSA-N 1 2 492.646 1.570 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@H]1C)CC2 ZINC001502872626 1070871855 /nfs/dbraw/zinc/87/18/55/1070871855.db2.gz MLPFKHDCHWLQSL-QZTJIDSGSA-N 1 2 492.646 1.570 20 0 JDADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001502867953 1070870030 /nfs/dbraw/zinc/87/00/30/1070870030.db2.gz LRYIBQKRCMDLTD-LJQANCHMSA-N 1 2 499.616 1.259 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001504202623 1070883358 /nfs/dbraw/zinc/88/33/58/1070883358.db2.gz YCJSGMIBORGMNI-LJQANCHMSA-N 1 2 483.617 1.565 20 0 JDADLO COc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001504206180 1070885504 /nfs/dbraw/zinc/88/55/04/1070885504.db2.gz WRRKRTNZEZUNCD-OAQYLSRUSA-N 1 2 465.558 1.804 20 0 JDADLO CCOC1CC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC=C(C)C2)([NH+]2CCOCC2)C1 ZINC001502936954 1070892899 /nfs/dbraw/zinc/89/28/99/1070892899.db2.gz ARMYSHHZOZWPNZ-PGFLUOATSA-N 1 2 482.651 1.315 20 0 JDADLO CCOC1CC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC(F)(F)F)([NH+]2CCOCC2)C1 ZINC001502938242 1070894612 /nfs/dbraw/zinc/89/46/12/1070894612.db2.gz KMKODFIUBWZCCC-KSTDHSDQSA-N 1 2 498.572 1.157 20 0 JDADLO CCOC1CC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCCCCC2)([NH+]2CCOCC2)C1 ZINC001502939591 1070895316 /nfs/dbraw/zinc/89/53/16/1070895316.db2.gz YCZCPPAMADHTNB-RZFJCUDFSA-N 1 2 498.694 1.929 20 0 JDADLO COc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)cc1O ZINC001504247774 1070922376 /nfs/dbraw/zinc/92/23/76/1070922376.db2.gz JFBQIIOWWCEXRT-UHFFFAOYSA-N 1 2 460.579 1.878 20 0 JDADLO COc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)cc1O ZINC001504247774 1070922395 /nfs/dbraw/zinc/92/23/95/1070922395.db2.gz JFBQIIOWWCEXRT-UHFFFAOYSA-N 1 2 460.579 1.878 20 0 JDADLO CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001502984688 1070938385 /nfs/dbraw/zinc/93/83/85/1070938385.db2.gz XZWOVBDBUCMTQC-MRXNPFEDSA-N 1 2 480.639 1.376 20 0 JDADLO COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001504256922 1070936023 /nfs/dbraw/zinc/93/60/23/1070936023.db2.gz OUUVPULBFWWNJC-HXUWFJFHSA-N 1 2 472.590 1.600 20 0 JDADLO COc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)c(OC)c1 ZINC001504258796 1070941060 /nfs/dbraw/zinc/94/10/60/1070941060.db2.gz JADRDIUASPNDTI-GOSISDBHSA-N 1 2 472.590 1.775 20 0 JDADLO CCOCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001502989133 1070942936 /nfs/dbraw/zinc/94/29/36/1070942936.db2.gz MSNYCECELIAAIE-RTWAWAEBSA-N 1 2 491.681 1.523 20 0 JDADLO CCOCc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001503000013 1070957997 /nfs/dbraw/zinc/95/79/97/1070957997.db2.gz DZHKOPKIRWNMRD-QGZVFWFLSA-N 1 2 478.619 1.524 20 0 JDADLO CCOCc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503035753 1070998840 /nfs/dbraw/zinc/99/88/40/1070998840.db2.gz XBIGMHMJKSBRBK-KSZLIROESA-N 1 2 452.600 1.885 20 0 JDADLO CCOCc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503035753 1070998885 /nfs/dbraw/zinc/99/88/85/1070998885.db2.gz XBIGMHMJKSBRBK-KSZLIROESA-N 1 2 452.600 1.885 20 0 JDADLO CCOCc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503035749 1070999187 /nfs/dbraw/zinc/99/91/87/1070999187.db2.gz XBIGMHMJKSBRBK-BZSNNMDCSA-N 1 2 452.600 1.885 20 0 JDADLO CCOCc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503035749 1070999244 /nfs/dbraw/zinc/99/92/44/1070999244.db2.gz XBIGMHMJKSBRBK-BZSNNMDCSA-N 1 2 452.600 1.885 20 0 JDADLO CCOCc1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001503037223 1071000464 /nfs/dbraw/zinc/00/04/64/1071000464.db2.gz SLRSVUIUHYBBMU-NQIIRXRSSA-N 1 2 471.606 1.788 20 0 JDADLO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503039682 1071001513 /nfs/dbraw/zinc/00/15/13/1071001513.db2.gz UYIRVGQTFYEKAP-UYAOXDASSA-N 1 2 488.633 1.911 20 0 JDADLO CCOCc1nnc(N2CCC(C(=O)NC)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001503043087 1071005276 /nfs/dbraw/zinc/00/52/76/1071005276.db2.gz ZHDNSARTPBRFTK-QGZVFWFLSA-N 1 2 457.579 1.445 20 0 JDADLO COc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)cc1Cl ZINC001504278422 1071006504 /nfs/dbraw/zinc/00/65/04/1071006504.db2.gz DFIWTALGFNDWIG-UHFFFAOYSA-N 1 2 462.982 1.879 20 0 JDADLO CCOCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503048565 1071007625 /nfs/dbraw/zinc/00/76/25/1071007625.db2.gz KDEDTIVNNIUSDI-JOZVDFOLSA-N 1 2 451.612 1.946 20 0 JDADLO CCOCc1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503049673 1071008059 /nfs/dbraw/zinc/00/80/59/1071008059.db2.gz HCADRBMBGRQUOI-UHFFFAOYSA-N 1 2 458.611 1.579 20 0 JDADLO CCOCc1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503048567 1071008318 /nfs/dbraw/zinc/00/83/18/1071008318.db2.gz KDEDTIVNNIUSDI-LHKABPNQSA-N 1 2 451.612 1.946 20 0 JDADLO CCOCc1nnc(N2CCC(CCC(N)=O)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001503055714 1071011036 /nfs/dbraw/zinc/01/10/36/1071011036.db2.gz JKTPUDZIWDESCZ-GOSISDBHSA-N 1 2 471.606 1.965 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CCO[C@@H]3C)CC2)cc1F ZINC001504285739 1071012143 /nfs/dbraw/zinc/01/21/43/1071012143.db2.gz KIHGGMVCNSAVHT-OSPHWJPCSA-N 1 2 490.580 1.426 20 0 JDADLO CCOCc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503057817 1071013187 /nfs/dbraw/zinc/01/31/87/1071013187.db2.gz NBHPWLMZGNQHTF-UHFFFAOYSA-N 1 2 476.544 1.820 20 0 JDADLO CCOCc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001503057817 1071013210 /nfs/dbraw/zinc/01/32/10/1071013210.db2.gz NBHPWLMZGNQHTF-UHFFFAOYSA-N 1 2 476.544 1.820 20 0 JDADLO CCOCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001503057729 1071013366 /nfs/dbraw/zinc/01/33/66/1071013366.db2.gz FYPNYARHPGJVSE-UHFFFAOYSA-N 1 2 475.619 1.955 20 0 JDADLO CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001503058269 1071013705 /nfs/dbraw/zinc/01/37/05/1071013705.db2.gz QJTILXZVLLHYFI-UHFFFAOYSA-N 1 2 491.593 1.953 20 0 JDADLO CCOCc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503058664 1071013892 /nfs/dbraw/zinc/01/38/92/1071013892.db2.gz SKXVACQBVGOUHA-QZTJIDSGSA-N 1 2 452.600 1.886 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)OC)CC1 ZINC001504293528 1071020490 /nfs/dbraw/zinc/02/04/90/1071020490.db2.gz WMSKODGGZNKZPJ-INIZCTEOSA-N 1 2 498.625 1.783 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503074763 1071027063 /nfs/dbraw/zinc/02/70/63/1071027063.db2.gz AAGXTCTYGZUMEK-RTWAWAEBSA-N 1 2 456.591 1.678 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503074763 1071027074 /nfs/dbraw/zinc/02/70/74/1071027074.db2.gz AAGXTCTYGZUMEK-RTWAWAEBSA-N 1 2 456.591 1.678 20 0 JDADLO COc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001504305995 1071033764 /nfs/dbraw/zinc/03/37/64/1071033764.db2.gz HSGZQODGUWWNCB-SBUREZEXSA-N 1 2 458.563 1.288 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503086574 1071034229 /nfs/dbraw/zinc/03/42/29/1071034229.db2.gz PTTGNDUAPGTYSQ-QGZVFWFLSA-N 1 2 462.517 1.526 20 0 JDADLO CCOCc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503090618 1071035439 /nfs/dbraw/zinc/03/54/39/1071035439.db2.gz BCDJYSDCIOELAJ-HXUWFJFHSA-N 1 2 488.608 1.956 20 0 JDADLO CCOCc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503090618 1071035449 /nfs/dbraw/zinc/03/54/49/1071035449.db2.gz BCDJYSDCIOELAJ-HXUWFJFHSA-N 1 2 488.608 1.956 20 0 JDADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503096275 1071038660 /nfs/dbraw/zinc/03/86/60/1071038660.db2.gz PIHDGDMTDDZCBE-NRFANRHFSA-N 1 2 492.646 1.187 20 0 JDADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503096275 1071038675 /nfs/dbraw/zinc/03/86/75/1071038675.db2.gz PIHDGDMTDDZCBE-NRFANRHFSA-N 1 2 492.646 1.187 20 0 JDADLO CCOCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001503096367 1071039664 /nfs/dbraw/zinc/03/96/64/1071039664.db2.gz VIUOIAOKEQIGLT-GOSISDBHSA-N 1 2 457.583 1.374 20 0 JDADLO CCOCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001503096367 1071039669 /nfs/dbraw/zinc/03/96/69/1071039669.db2.gz VIUOIAOKEQIGLT-GOSISDBHSA-N 1 2 457.583 1.374 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001503097232 1071040105 /nfs/dbraw/zinc/04/01/05/1071040105.db2.gz ZVJWHDYMANKTSJ-SFTDATJTSA-N 1 2 456.591 1.898 20 0 JDADLO COc1ccc(OCc2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCCS(C)(=O)=O)cc1 ZINC001504310837 1071040643 /nfs/dbraw/zinc/04/06/43/1071040643.db2.gz BMYKWTPVVYSEDS-UHFFFAOYSA-N 1 2 493.630 1.601 20 0 JDADLO COc1ccc(OCc2nnc(N3CCS(=O)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001504314671 1071045768 /nfs/dbraw/zinc/04/57/68/1071045768.db2.gz JFMNMQZXQKIRRL-UHFFFAOYSA-N 1 2 456.572 1.944 20 0 JDADLO COc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504316090 1071047474 /nfs/dbraw/zinc/04/74/74/1071047474.db2.gz YZJFVEOHWQDJDU-GOSISDBHSA-N 1 2 474.631 1.972 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503100440 1071050381 /nfs/dbraw/zinc/05/03/81/1071050381.db2.gz DMZRSRMHKPHIIU-ZWKOTPCHSA-N 1 2 452.600 1.981 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503101248 1071051823 /nfs/dbraw/zinc/05/18/23/1071051823.db2.gz CGZZDXXMYWMYPM-FQEVSTJZSA-N 1 2 458.563 1.604 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503101248 1071051834 /nfs/dbraw/zinc/05/18/34/1071051834.db2.gz CGZZDXXMYWMYPM-FQEVSTJZSA-N 1 2 458.563 1.604 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001503106441 1071057716 /nfs/dbraw/zinc/05/77/16/1071057716.db2.gz AGOKTMDSUSYYDX-JPYJTQIMSA-N 1 2 476.647 1.917 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001503106445 1071057755 /nfs/dbraw/zinc/05/77/55/1071057755.db2.gz AGOKTMDSUSYYDX-WZONZLPQSA-N 1 2 476.647 1.917 20 0 JDADLO CCOCc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503109142 1071062545 /nfs/dbraw/zinc/06/25/45/1071062545.db2.gz ONDIFRIBYCKGQC-UHFFFAOYSA-N 1 2 461.590 1.096 20 0 JDADLO CCOCc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503109142 1071062559 /nfs/dbraw/zinc/06/25/59/1071062559.db2.gz ONDIFRIBYCKGQC-UHFFFAOYSA-N 1 2 461.590 1.096 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001503107968 1071060350 /nfs/dbraw/zinc/06/03/50/1071060350.db2.gz RUEVRIWKVKQTCS-GOSISDBHSA-N 1 2 484.605 1.486 20 0 JDADLO COc1cccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCn2cccn2)[NH+](C)C)c1 ZINC001504326152 1071060737 /nfs/dbraw/zinc/06/07/37/1071060737.db2.gz UMNHLZXGEUWSAQ-FPOVZHCZSA-N 1 2 487.630 1.825 20 0 JDADLO COc1cccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)c1 ZINC001504326346 1071060926 /nfs/dbraw/zinc/06/09/26/1071060926.db2.gz WRPVSXQHCFHQEC-IHPCNDPISA-N 1 2 463.604 1.717 20 0 JDADLO CCOCc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503113343 1071072861 /nfs/dbraw/zinc/07/28/61/1071072861.db2.gz WMNYFNJSQLBRFT-HXUWFJFHSA-N 1 2 471.606 1.296 20 0 JDADLO CCOCc1nnc(N2CCN(Cc3c(CC)nn(C)c3Cl)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503113974 1071074502 /nfs/dbraw/zinc/07/45/02/1071074502.db2.gz QNGHUYGWFNYQQD-GOSISDBHSA-N 1 2 495.072 1.807 20 0 JDADLO CCOCc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001503114442 1071075154 /nfs/dbraw/zinc/07/51/54/1071075154.db2.gz WQHATGQKBYENNO-UHFFFAOYSA-N 1 2 473.597 1.440 20 0 JDADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@@]1(C)CCCO1 ZINC001503115194 1071076292 /nfs/dbraw/zinc/07/62/92/1071076292.db2.gz KKFOPSAVYXMFSB-NZQKXSOJSA-N 1 2 450.628 1.615 20 0 JDADLO COc1cccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001504348469 1071078938 /nfs/dbraw/zinc/07/89/38/1071078938.db2.gz GPMZPUHOGYAHHJ-UEXGIBASSA-N 1 2 492.646 1.959 20 0 JDADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001503116041 1071079531 /nfs/dbraw/zinc/07/95/31/1071079531.db2.gz YVEJDFBXEQUHJR-QHAWAJNXSA-N 1 2 450.628 1.471 20 0 JDADLO COc1cccc(CC(=O)N2CCN(c3nnc(C(C)C)n3CC[NH+]3CCN(C(C)=O)CC3)CC2)c1 ZINC001504353031 1071084307 /nfs/dbraw/zinc/08/43/07/1071084307.db2.gz RLDZDODJPOAPTR-UHFFFAOYSA-N 1 2 497.644 1.466 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503122223 1071088339 /nfs/dbraw/zinc/08/83/39/1071088339.db2.gz CKQFJRWUQQSBJG-ZWKOTPCHSA-N 1 2 468.599 1.265 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503122223 1071088351 /nfs/dbraw/zinc/08/83/51/1071088351.db2.gz CKQFJRWUQQSBJG-ZWKOTPCHSA-N 1 2 468.599 1.265 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001503122717 1071088466 /nfs/dbraw/zinc/08/84/66/1071088466.db2.gz FKNKVVXSOAYFIY-APWZRJJASA-N 1 2 466.533 1.737 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503122218 1071088496 /nfs/dbraw/zinc/08/84/96/1071088496.db2.gz CKQFJRWUQQSBJG-MSOLQXFVSA-N 1 2 468.599 1.265 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503122218 1071088510 /nfs/dbraw/zinc/08/85/10/1071088510.db2.gz CKQFJRWUQQSBJG-MSOLQXFVSA-N 1 2 468.599 1.265 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503124117 1071089680 /nfs/dbraw/zinc/08/96/80/1071089680.db2.gz LDVDEWZMLZDLJQ-ROUUACIJSA-N 1 2 468.599 1.265 20 0 JDADLO COc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[NH+]3CCOCC3)CC2)c1 ZINC001504361962 1071093298 /nfs/dbraw/zinc/09/32/98/1071093298.db2.gz FUUBILREYYCVSY-UHFFFAOYSA-N 1 2 485.633 1.862 20 0 JDADLO COc1cccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001504365410 1071097949 /nfs/dbraw/zinc/09/79/49/1071097949.db2.gz QAMGSUQQSOHKAG-SFHVURJKSA-N 1 2 453.547 1.980 20 0 JDADLO CCOC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001503147799 1071102254 /nfs/dbraw/zinc/10/22/54/1071102254.db2.gz GDUOHNGHDAZPHB-GOSISDBHSA-N 1 2 457.579 1.899 20 0 JDADLO CCOC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001503147799 1071102266 /nfs/dbraw/zinc/10/22/66/1071102266.db2.gz GDUOHNGHDAZPHB-GOSISDBHSA-N 1 2 457.579 1.899 20 0 JDADLO CCOC[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001503148023 1071102447 /nfs/dbraw/zinc/10/24/47/1071102447.db2.gz JPCDHIYICBBNRQ-HKUYNNGSSA-N 1 2 493.634 1.031 20 0 JDADLO COc1ccccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504373143 1071108111 /nfs/dbraw/zinc/10/81/11/1071108111.db2.gz DHCXDHIQJYLRDP-UHFFFAOYSA-N 1 2 465.558 1.758 20 0 JDADLO CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503173556 1071119647 /nfs/dbraw/zinc/11/96/47/1071119647.db2.gz KPQRNOMWMREPFL-RTBURBONSA-N 1 2 461.611 1.179 20 0 JDADLO CCOCCCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503172861 1071119752 /nfs/dbraw/zinc/11/97/52/1071119752.db2.gz DALGTCZVPKSQML-IBGZPJMESA-N 1 2 456.595 1.685 20 0 JDADLO COc1ccccc1Cc1nnc(N(C)CC(=O)NC(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001504397615 1071132301 /nfs/dbraw/zinc/13/23/01/1071132301.db2.gz HFSBSBGYQGYMDV-UHFFFAOYSA-N 1 2 456.591 1.703 20 0 JDADLO COc1ccccc1Cc1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504404365 1071138976 /nfs/dbraw/zinc/13/89/76/1071138976.db2.gz ZPEOYGDNRVOAMN-AUSIDOKSSA-N 1 2 470.618 1.903 20 0 JDADLO CCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001503204357 1071149413 /nfs/dbraw/zinc/14/94/13/1071149413.db2.gz PXLXBUXRCKYQOU-UHFFFAOYSA-N 1 2 472.590 1.743 20 0 JDADLO COc1ccccc1CCN(C)c1nnc([C@H]2CCCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504414149 1071166013 /nfs/dbraw/zinc/16/60/13/1071166013.db2.gz XVYDQUHJJKQBRP-JOCHJYFZSA-N 1 2 456.591 1.981 20 0 JDADLO CCOCCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503218491 1071170157 /nfs/dbraw/zinc/17/01/57/1071170157.db2.gz CPCWVGBIHUNUSI-JOCHJYFZSA-N 1 2 459.639 1.799 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503219604 1071173135 /nfs/dbraw/zinc/17/31/35/1071173135.db2.gz FEMSNLZBPVWSSM-ROUUACIJSA-N 1 2 463.608 1.107 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503219604 1071173146 /nfs/dbraw/zinc/17/31/46/1071173146.db2.gz FEMSNLZBPVWSSM-ROUUACIJSA-N 1 2 463.608 1.107 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503219596 1071173856 /nfs/dbraw/zinc/17/38/56/1071173856.db2.gz FDUPKAJEXZOKBS-WMZHIEFXSA-N 1 2 492.646 1.135 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503219596 1071173865 /nfs/dbraw/zinc/17/38/65/1071173865.db2.gz FDUPKAJEXZOKBS-WMZHIEFXSA-N 1 2 492.646 1.135 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1CC ZINC001503222035 1071179394 /nfs/dbraw/zinc/17/93/94/1071179394.db2.gz FHUZHZFXOFVHFI-AABGKKOBSA-N 1 2 469.652 1.686 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1CC ZINC001503222035 1071179404 /nfs/dbraw/zinc/17/94/04/1071179404.db2.gz FHUZHZFXOFVHFI-AABGKKOBSA-N 1 2 469.652 1.686 20 0 JDADLO CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001503222660 1071182483 /nfs/dbraw/zinc/18/24/83/1071182483.db2.gz HUMQCJDTEBNDQF-OALUTQOASA-N 1 2 496.703 1.703 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C[C@@H]1CC ZINC001503222673 1071183777 /nfs/dbraw/zinc/18/37/77/1071183777.db2.gz IEKBIPLRDMTYPO-PXNSSMCTSA-N 1 2 480.610 1.700 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C[C@@H]1CC ZINC001503222673 1071183788 /nfs/dbraw/zinc/18/37/88/1071183788.db2.gz IEKBIPLRDMTYPO-PXNSSMCTSA-N 1 2 480.610 1.700 20 0 JDADLO CCOCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@](C)=O)CCC2)CC1 ZINC001503223066 1071185081 /nfs/dbraw/zinc/18/50/81/1071185081.db2.gz MYQNZSBASFJSGT-YTTGMZPUSA-N 1 2 463.652 1.599 20 0 JDADLO CCOCCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001503223096 1071186365 /nfs/dbraw/zinc/18/63/65/1071186365.db2.gz LOCMLTDQCMTUAH-SFTDATJTSA-N 1 2 450.628 1.299 20 0 JDADLO 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CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C[C@H]1CC ZINC001503223958 1071190990 /nfs/dbraw/zinc/19/09/90/1071190990.db2.gz REAQPNGQZNUZTE-NHCUHLMSSA-N 1 2 483.679 1.934 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C[C@H]1CC ZINC001503223958 1071191009 /nfs/dbraw/zinc/19/10/09/1071191009.db2.gz REAQPNGQZNUZTE-NHCUHLMSSA-N 1 2 483.679 1.934 20 0 JDADLO COc1ccccc1O[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504430957 1071193214 /nfs/dbraw/zinc/19/32/14/1071193214.db2.gz QUPGHTAAEFMRFZ-LJQANCHMSA-N 1 2 472.590 1.759 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cnn(C)c1C ZINC001504433147 1071195871 /nfs/dbraw/zinc/19/58/71/1071195871.db2.gz USTMRDVIMQULED-UHFFFAOYSA-N 1 2 455.563 1.724 20 0 JDADLO COc1ccccc1OCc1nnc(N2C[C@@H](OC)[C@@H](OC)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001504442213 1071213536 /nfs/dbraw/zinc/21/35/36/1071213536.db2.gz ZZLFZAACXYYMPK-SZPZYZBQSA-N 1 2 488.633 1.742 20 0 JDADLO COc1ccccc1OCc1nnc(N2C[C@@H](OC)[C@@H](OC)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001504442213 1071213549 /nfs/dbraw/zinc/21/35/49/1071213549.db2.gz ZZLFZAACXYYMPK-SZPZYZBQSA-N 1 2 488.633 1.742 20 0 JDADLO COc1ccccc1SCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504447573 1071218069 /nfs/dbraw/zinc/21/80/69/1071218069.db2.gz DUYHLQDMTCPUGN-QZTJIDSGSA-N 1 2 474.631 1.967 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 ZINC001504453215 1071223667 /nfs/dbraw/zinc/22/36/67/1071223667.db2.gz HRZJLUPRAKHZQL-INIZCTEOSA-N 1 2 464.592 1.880 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001504453693 1071224491 /nfs/dbraw/zinc/22/44/91/1071224491.db2.gz KPIIADNALGDLFI-QGZVFWFLSA-N 1 2 455.563 1.659 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001504454430 1071226904 /nfs/dbraw/zinc/22/69/04/1071226904.db2.gz QXVKJGRUJKTWNR-OAQYLSRUSA-N 1 2 492.584 1.217 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503238862 1071226918 /nfs/dbraw/zinc/22/69/18/1071226918.db2.gz BDEKNMXZULEIQO-KRWDZBQOSA-N 1 2 473.603 1.813 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001504454458 1071227222 /nfs/dbraw/zinc/22/72/22/1071227222.db2.gz WHYRKNPIYPSGFG-UHFFFAOYSA-N 1 2 499.597 1.316 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001504454849 1071227771 /nfs/dbraw/zinc/22/77/71/1071227771.db2.gz UOBXFNNXHHNIMG-IRXDYDNUSA-N 1 2 494.618 1.362 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001504455044 1071227884 /nfs/dbraw/zinc/22/78/84/1071227884.db2.gz VXFRITJKJQLMRX-RHSMWYFYSA-N 1 2 454.622 1.918 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 ZINC001504455105 1071228668 /nfs/dbraw/zinc/22/86/68/1071228668.db2.gz WYGNMPRHTSVCJY-SBUREZEXSA-N 1 2 486.598 1.747 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504456209 1071231502 /nfs/dbraw/zinc/23/15/02/1071231502.db2.gz RHZRLTMFYPBBOX-UHFFFAOYSA-N 1 2 498.613 1.259 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001504456786 1071232260 /nfs/dbraw/zinc/23/22/60/1071232260.db2.gz HKEDANSCJYJWNA-UHFFFAOYSA-N 1 2 496.597 1.854 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNS(C)(=O)=O ZINC001504456749 1071232328 /nfs/dbraw/zinc/23/23/28/1071232328.db2.gz GNHSUOKUBVUWSD-UHFFFAOYSA-N 1 2 460.516 1.111 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNC(=O)C(C)C ZINC001504456299 1071232378 /nfs/dbraw/zinc/23/23/78/1071232378.db2.gz AHLRXAQXPGLTCJ-UHFFFAOYSA-N 1 2 455.519 1.666 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001504456912 1071233330 /nfs/dbraw/zinc/23/33/30/1071233330.db2.gz ILAHIGXHYJNZPZ-ZDUSSCGKSA-N 1 2 464.452 1.635 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C ZINC001504458477 1071235524 /nfs/dbraw/zinc/23/55/24/1071235524.db2.gz CBXDMGXLZNHLQP-KRWDZBQOSA-N 1 2 452.581 1.545 20 0 JDADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC001504460655 1071239490 /nfs/dbraw/zinc/23/94/90/1071239490.db2.gz UTJBXVAOZOOIPU-MRXNPFEDSA-N 1 2 453.551 1.851 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(C(C)C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001503244182 1071241293 /nfs/dbraw/zinc/24/12/93/1071241293.db2.gz MJTFBHUIPRFQSV-MRXNPFEDSA-N 1 2 450.613 1.773 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSC ZINC001504461591 1071240300 /nfs/dbraw/zinc/24/03/00/1071240300.db2.gz WOPLNIXZJBPYQO-YJBOKZPZSA-N 1 2 484.648 1.641 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(C(C)C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001503244182 1071241306 /nfs/dbraw/zinc/24/13/06/1071241306.db2.gz MJTFBHUIPRFQSV-MRXNPFEDSA-N 1 2 450.613 1.773 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(C(C)C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001503244178 1071241373 /nfs/dbraw/zinc/24/13/73/1071241373.db2.gz MJTFBHUIPRFQSV-INIZCTEOSA-N 1 2 450.613 1.773 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(C(C)C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001503244178 1071241384 /nfs/dbraw/zinc/24/13/84/1071241384.db2.gz MJTFBHUIPRFQSV-INIZCTEOSA-N 1 2 450.613 1.773 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 ZINC001504458816 1071236098 /nfs/dbraw/zinc/23/60/98/1071236098.db2.gz FMMQYVBJNAXYHV-FQEVSTJZSA-N 1 2 490.561 1.838 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 ZINC001504459106 1071236140 /nfs/dbraw/zinc/23/61/40/1071236140.db2.gz KHEGQJVNKIXJHX-HKUYNNGSSA-N 1 2 496.659 1.785 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001504459130 1071236177 /nfs/dbraw/zinc/23/61/77/1071236177.db2.gz KSJWUBLFWGDAMP-INIZCTEOSA-N 1 2 476.603 1.327 20 0 JDADLO 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COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 ZINC001504458832 1071236618 /nfs/dbraw/zinc/23/66/18/1071236618.db2.gz FWEZYJKYTSEDEX-GOSISDBHSA-N 1 2 464.592 1.689 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 ZINC001504459606 1071237249 /nfs/dbraw/zinc/23/72/49/1071237249.db2.gz QKXKPNDBJHMAMY-IBGZPJMESA-N 1 2 492.627 1.803 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001503246449 1071247418 /nfs/dbraw/zinc/24/74/18/1071247418.db2.gz ZFKAHJTUBGIYOE-MRXNPFEDSA-N 1 2 451.597 1.370 20 0 JDADLO CO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC001504478978 1071254585 /nfs/dbraw/zinc/25/45/85/1071254585.db2.gz OCKDZXPDRWDYJR-BRWVUGGUSA-N 1 2 451.597 1.586 20 0 JDADLO CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC001504478981 1071254683 /nfs/dbraw/zinc/25/46/83/1071254683.db2.gz OCKDZXPDRWDYJR-GVDBMIGSSA-N 1 2 451.597 1.586 20 0 JDADLO CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC001504478987 1071255203 /nfs/dbraw/zinc/25/52/03/1071255203.db2.gz OCKDZXPDRWDYJR-YESZJQIVSA-N 1 2 451.597 1.586 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503248954 1071257777 /nfs/dbraw/zinc/25/77/77/1071257777.db2.gz FKTQHNLQTHJVLJ-CALCHBBNSA-N 1 2 453.613 1.049 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503248954 1071257796 /nfs/dbraw/zinc/25/77/96/1071257796.db2.gz FKTQHNLQTHJVLJ-CALCHBBNSA-N 1 2 453.613 1.049 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001503249647 1071260266 /nfs/dbraw/zinc/26/02/66/1071260266.db2.gz CCTITBVMXTXGAC-ROUUACIJSA-N 1 2 478.619 1.920 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1Cc1c[nH+]ccc1OC ZINC001503250345 1071262219 /nfs/dbraw/zinc/26/22/19/1071262219.db2.gz SBCHBZLLHCZINZ-UHFFFAOYSA-N 1 2 483.554 1.917 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001503250816 1071264658 /nfs/dbraw/zinc/26/46/58/1071264658.db2.gz HIDBZXIZEOXHRK-IBGZPJMESA-N 1 2 499.641 1.803 20 0 JDADLO CO[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504490173 1071265362 /nfs/dbraw/zinc/26/53/62/1071265362.db2.gz OFMIRMLHAJSXAN-JOCHJYFZSA-N 1 2 456.591 1.945 20 0 JDADLO CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001503252194 1071270564 /nfs/dbraw/zinc/27/05/64/1071270564.db2.gz KIKJVKBUYNOHFB-UHFFFAOYSA-N 1 2 481.644 1.315 20 0 JDADLO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC001504520124 1071296591 /nfs/dbraw/zinc/29/65/91/1071296591.db2.gz KNLMNWNPKOAUPI-LAUBAEHRSA-N 1 2 458.611 1.165 20 0 JDADLO CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503261250 1071311991 /nfs/dbraw/zinc/31/19/91/1071311991.db2.gz RGOMDPRZXOZKJT-QUCCMNQESA-N 1 2 468.668 1.290 20 0 JDADLO CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503261250 1071312010 /nfs/dbraw/zinc/31/20/10/1071312010.db2.gz RGOMDPRZXOZKJT-QUCCMNQESA-N 1 2 468.668 1.290 20 0 JDADLO CO[C@@H]1COCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504529336 1071313365 /nfs/dbraw/zinc/31/33/65/1071313365.db2.gz ISJZFVOEXNWZSK-IFMALSPDSA-N 1 2 459.591 1.985 20 0 JDADLO COCC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001504534627 1071331820 /nfs/dbraw/zinc/33/18/20/1071331820.db2.gz LWLYWAVIHCXSFY-UHFFFAOYSA-N 1 2 466.590 1.771 20 0 JDADLO COCC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001504535250 1071334617 /nfs/dbraw/zinc/33/46/17/1071334617.db2.gz IHBRUNSBGBXKOB-JOCHJYFZSA-N 1 2 470.618 1.673 20 0 JDADLO COCC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001504535250 1071334635 /nfs/dbraw/zinc/33/46/35/1071334635.db2.gz IHBRUNSBGBXKOB-JOCHJYFZSA-N 1 2 470.618 1.673 20 0 JDADLO COCC(=O)N1CCN(c2nnc(COc3ccccc3OC)n2Cc2c[nH+]ccc2OC)CC1 ZINC001504536978 1071343023 /nfs/dbraw/zinc/34/30/23/1071343023.db2.gz MQWRCTRLZXTKSP-UHFFFAOYSA-N 1 2 482.541 1.613 20 0 JDADLO CCS(=O)(=O)N(C)CCCn1c(-c2cccn2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503269547 1071352208 /nfs/dbraw/zinc/35/22/08/1071352208.db2.gz IBQBRKKAUNXYSE-UHFFFAOYSA-N 1 2 487.634 1.380 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001504541678 1071368304 /nfs/dbraw/zinc/36/83/04/1071368304.db2.gz NQKOQAXTBVVBOC-UHFFFAOYSA-N 1 2 481.605 1.380 20 0 JDADLO COCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504550927 1071375921 /nfs/dbraw/zinc/37/59/21/1071375921.db2.gz VHPINMSJEHVFAN-MSOLQXFVSA-N 1 2 461.611 1.035 20 0 JDADLO COC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504570104 1071392289 /nfs/dbraw/zinc/39/22/89/1071392289.db2.gz LIOHRKZCPKPWCA-CTNGQTDRSA-N 1 2 460.627 1.192 20 0 JDADLO COC[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504584063 1071411865 /nfs/dbraw/zinc/41/18/65/1071411865.db2.gz IDKNISVMGDBPKE-SFTDATJTSA-N 1 2 490.624 1.977 20 0 JDADLO CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503278914 1071409167 /nfs/dbraw/zinc/40/91/67/1071409167.db2.gz YDEZAAYIGLFNET-UHFFFAOYSA-N 1 2 470.603 1.315 20 0 JDADLO COC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001504585350 1071414377 /nfs/dbraw/zinc/41/43/77/1071414377.db2.gz RIBPJZAYJSWUOJ-QUCCMNQESA-N 1 2 473.622 1.514 20 0 JDADLO COC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504588499 1071426064 /nfs/dbraw/zinc/42/60/64/1071426064.db2.gz IVYAGGHQQPMQBX-YADHBBJMSA-N 1 2 487.649 1.541 20 0 JDADLO CCS(=O)(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503281635 1071430225 /nfs/dbraw/zinc/43/02/25/1071430225.db2.gz YONMGNHJLVDOKF-UHFFFAOYSA-N 1 2 486.602 1.318 20 0 JDADLO COC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504590999 1071430919 /nfs/dbraw/zinc/43/09/19/1071430919.db2.gz RTBLWYLUZCKZPM-WOJBJXKFSA-N 1 2 471.606 1.443 20 0 JDADLO COC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504590996 1071431327 /nfs/dbraw/zinc/43/13/27/1071431327.db2.gz RTBLWYLUZCKZPM-PMACEKPBSA-N 1 2 471.606 1.443 20 0 JDADLO CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001503285650 1071468263 /nfs/dbraw/zinc/46/82/63/1071468263.db2.gz MQTJPZNXSOCUAA-WJOKGBTCSA-N 1 2 454.641 1.077 20 0 JDADLO COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504613235 1071472874 /nfs/dbraw/zinc/47/28/74/1071472874.db2.gz VBRHEDVGWSHXID-NJYVYQBISA-N 1 2 468.618 1.388 20 0 JDADLO COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC001504626873 1071485286 /nfs/dbraw/zinc/48/52/86/1071485286.db2.gz AJKPWFNTKHBABB-KRWDZBQOSA-N 1 2 463.608 1.427 20 0 JDADLO CC[S@](=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503289538 1071488082 /nfs/dbraw/zinc/48/80/82/1071488082.db2.gz DPNRXDVKZQIWRZ-VQLRFDHRSA-N 1 2 488.658 1.711 20 0 JDADLO CC[S@](=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503289535 1071488142 /nfs/dbraw/zinc/48/81/42/1071488142.db2.gz DPNRXDVKZQIWRZ-BQCBBYHXSA-N 1 2 488.658 1.711 20 0 JDADLO CC[S@](=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503289536 1071488254 /nfs/dbraw/zinc/48/82/54/1071488254.db2.gz DPNRXDVKZQIWRZ-FIAVQMRSSA-N 1 2 488.658 1.711 20 0 JDADLO CC[S@](=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503289537 1071488403 /nfs/dbraw/zinc/48/84/03/1071488403.db2.gz DPNRXDVKZQIWRZ-MVJGVESJSA-N 1 2 488.658 1.711 20 0 JDADLO COCc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001504638280 1071499905 /nfs/dbraw/zinc/49/99/05/1071499905.db2.gz KVTCQPOTIIIDCM-UHFFFAOYSA-N 1 2 465.558 1.889 20 0 JDADLO CC[S@](=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503294103 1071503609 /nfs/dbraw/zinc/50/36/09/1071503609.db2.gz JQOBUJGKBNQFPW-VVIOETCYSA-N 1 2 473.647 1.406 20 0 JDADLO CC[S@](=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503294100 1071503709 /nfs/dbraw/zinc/50/37/09/1071503709.db2.gz JQOBUJGKBNQFPW-ASGPSWSCSA-N 1 2 473.647 1.406 20 0 JDADLO CC[S@](=O)CCn1c(CC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001503296597 1071510632 /nfs/dbraw/zinc/51/06/32/1071510632.db2.gz KXUUSKXRGYCXOB-XIFFEERXSA-N 1 2 476.651 1.198 20 0 JDADLO CC[S@](=O)CCn1c(CC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001503296597 1071510643 /nfs/dbraw/zinc/51/06/43/1071510643.db2.gz KXUUSKXRGYCXOB-XIFFEERXSA-N 1 2 476.651 1.198 20 0 JDADLO CC[S@@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001503297635 1071514162 /nfs/dbraw/zinc/51/41/62/1071514162.db2.gz POYIIBSJKKEVOS-SIMYLBMUSA-N 1 2 471.693 1.650 20 0 JDADLO CC[S@](=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001503298501 1071515463 /nfs/dbraw/zinc/51/54/63/1071515463.db2.gz VTTLOQYUVGEONB-AGALUIKZSA-N 1 2 463.604 1.716 20 0 JDADLO CC[S@](=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001503298501 1071515472 /nfs/dbraw/zinc/51/54/72/1071515472.db2.gz VTTLOQYUVGEONB-AGALUIKZSA-N 1 2 463.604 1.716 20 0 JDADLO CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001503300059 1071517651 /nfs/dbraw/zinc/51/76/51/1071517651.db2.gz QSNWLVOFTFPXFY-FPYOTAMTSA-N 1 2 474.631 1.637 20 0 JDADLO CC[S@](=O)CCn1c(Cc2csc(C)n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503301545 1071521160 /nfs/dbraw/zinc/52/11/60/1071521160.db2.gz OVHLZVSFBUIKDO-FUJBLVTHSA-N 1 2 454.666 1.948 20 0 JDADLO CC[S@](=O)CCn1c(Cc2csc(C)n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503301545 1071521166 /nfs/dbraw/zinc/52/11/66/1071521166.db2.gz OVHLZVSFBUIKDO-FUJBLVTHSA-N 1 2 454.666 1.948 20 0 JDADLO COC[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001504663937 1071525857 /nfs/dbraw/zinc/52/58/57/1071525857.db2.gz HQZSFRDVVBEDJU-QZTJIDSGSA-N 1 2 470.640 1.006 20 0 JDADLO CC[S@](=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503302320 1071523330 /nfs/dbraw/zinc/52/33/30/1071523330.db2.gz WWBWISYPRSHLFF-VSWMQDILSA-N 1 2 486.686 1.935 20 0 JDADLO COC[C@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001504663935 1071525886 /nfs/dbraw/zinc/52/58/86/1071525886.db2.gz HQZSFRDVVBEDJU-MSOLQXFVSA-N 1 2 470.640 1.006 20 0 JDADLO CC[S@@](=O)CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001503314346 1071537412 /nfs/dbraw/zinc/53/74/12/1071537412.db2.gz QSFAQIDKBWDVFT-JGCGQSQUSA-N 1 2 456.620 1.781 20 0 JDADLO COC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504683642 1071539449 /nfs/dbraw/zinc/53/94/49/1071539449.db2.gz MMLZIMOJVBRMCC-JOCHJYFZSA-N 1 2 470.618 1.927 20 0 JDADLO COC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001504689396 1071545151 /nfs/dbraw/zinc/54/51/51/1071545151.db2.gz XOQJDPJNVVUFHS-OALUTQOASA-N 1 2 457.579 1.755 20 0 JDADLO COC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001504707941 1071557823 /nfs/dbraw/zinc/55/78/23/1071557823.db2.gz DDFBVOFRVNXOST-QZTJIDSGSA-N 1 2 473.578 1.276 20 0 JDADLO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001504707942 1071557912 /nfs/dbraw/zinc/55/79/12/1071557912.db2.gz DDFBVOFRVNXOST-ROUUACIJSA-N 1 2 473.578 1.276 20 0 JDADLO COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)C[C@H](C)O1 ZINC001504710925 1071566458 /nfs/dbraw/zinc/56/64/58/1071566458.db2.gz QQRKSNISNNKLJJ-HKUYNNGSSA-N 1 2 453.547 1.890 20 0 JDADLO COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)C[C@H](C)O1 ZINC001504710941 1071567245 /nfs/dbraw/zinc/56/72/45/1071567245.db2.gz QQRKSNISNNKLJJ-PKOBYXMFSA-N 1 2 453.547 1.890 20 0 JDADLO CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001503362648 1071582799 /nfs/dbraw/zinc/58/27/99/1071582799.db2.gz JHOZLXNARJDZNM-SFHVURJKSA-N 1 2 494.687 1.475 20 0 JDADLO CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503366217 1071592615 /nfs/dbraw/zinc/59/26/15/1071592615.db2.gz XKBWLGQNCCCTNC-UHFFFAOYSA-N 1 2 463.546 1.427 20 0 JDADLO CN(C)C(=O)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503367013 1071594435 /nfs/dbraw/zinc/59/44/35/1071594435.db2.gz ISYYHNFMNCAUGN-HDICACEKSA-N 1 2 479.626 1.296 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001504732517 1071603425 /nfs/dbraw/zinc/60/34/25/1071603425.db2.gz WPOZIHUYSZQXRE-BXWFABGCSA-N 1 2 450.609 1.595 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001504732517 1071603428 /nfs/dbraw/zinc/60/34/28/1071603428.db2.gz WPOZIHUYSZQXRE-BXWFABGCSA-N 1 2 450.609 1.595 20 0 JDADLO CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001503369280 1071599209 /nfs/dbraw/zinc/59/92/09/1071599209.db2.gz DHHMQKYBOFDJSP-SFHVURJKSA-N 1 2 470.603 1.785 20 0 JDADLO COC[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001504730380 1071600575 /nfs/dbraw/zinc/60/05/75/1071600575.db2.gz KHHNQHNNKWHRHN-NZQKXSOJSA-N 1 2 470.618 1.582 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001504732519 1071604253 /nfs/dbraw/zinc/60/42/53/1071604253.db2.gz WPOZIHUYSZQXRE-GJYPPUQNSA-N 1 2 450.609 1.595 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001504732519 1071604262 /nfs/dbraw/zinc/60/42/62/1071604262.db2.gz WPOZIHUYSZQXRE-GJYPPUQNSA-N 1 2 450.609 1.595 20 0 JDADLO CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCOC3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001503378110 1071632195 /nfs/dbraw/zinc/63/21/95/1071632195.db2.gz PGMQVCLIJOFMAR-FQEVSTJZSA-N 1 2 472.590 1.066 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccsc1 ZINC001503379032 1071634242 /nfs/dbraw/zinc/63/42/42/1071634242.db2.gz BQJJUGZMNICNDF-YRNRMSPPSA-N 1 2 466.633 1.246 20 0 JDADLO C[NH+](C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001503379826 1071634998 /nfs/dbraw/zinc/63/49/98/1071634998.db2.gz MZZLZGGFXIEONT-RBUKOAKNSA-N 1 2 483.598 1.852 20 0 JDADLO COCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504752497 1071635983 /nfs/dbraw/zinc/63/59/83/1071635983.db2.gz BHNIGKJAROKVJM-REHUZNOOSA-N 1 2 478.638 1.093 20 0 JDADLO COCC[C@@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504754351 1071640202 /nfs/dbraw/zinc/64/02/02/1071640202.db2.gz FBYKWHNRQQTORI-NZQKXSOJSA-N 1 2 461.563 1.347 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC001503384980 1071642452 /nfs/dbraw/zinc/64/24/52/1071642452.db2.gz YFZILJXDBZSXJC-ZHALLVOQSA-N 1 2 478.594 1.324 20 0 JDADLO COCC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001504755747 1071643258 /nfs/dbraw/zinc/64/32/58/1071643258.db2.gz KOSQSDRABWYEFF-XUZZJYLKSA-N 1 2 491.658 1.332 20 0 JDADLO COCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504756114 1071643931 /nfs/dbraw/zinc/64/39/31/1071643931.db2.gz LVMWLPDSQGZXJE-UTKZUKDTSA-N 1 2 450.609 1.657 20 0 JDADLO CN(C)c1ccc(Cn2c(-c3c[nH]c4ccccc43)nnc2N(C)CCNS(C)(=O)=O)c[nH+]1 ZINC001503391315 1071650914 /nfs/dbraw/zinc/65/09/14/1071650914.db2.gz AHROKAZDDRVWJF-UHFFFAOYSA-N 1 2 468.587 1.921 20 0 JDADLO CN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001503388940 1071647430 /nfs/dbraw/zinc/64/74/30/1071647430.db2.gz UEMDPLHJIGYNEL-HRCADAONSA-N 1 2 452.606 1.217 20 0 JDADLO COCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001504758529 1071650091 /nfs/dbraw/zinc/65/00/91/1071650091.db2.gz USSIUDFNYAPUDF-HSZRJFAPSA-N 1 2 492.024 1.525 20 0 JDADLO CN(C)c1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001503390397 1071650174 /nfs/dbraw/zinc/65/01/74/1071650174.db2.gz LBBKIRYSDKPHLA-GOSISDBHSA-N 1 2 498.613 1.016 20 0 JDADLO CN(C)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(N)=O)CC2)c[nH+]1 ZINC001503390674 1071650216 /nfs/dbraw/zinc/65/02/16/1071650216.db2.gz VIOWJFNQZCDIBB-UHFFFAOYSA-N 1 2 463.546 1.527 20 0 JDADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)c[nH+]1 ZINC001503393270 1071653126 /nfs/dbraw/zinc/65/31/26/1071653126.db2.gz HXDCAKUIJUSOEN-UHFFFAOYSA-N 1 2 484.649 1.357 20 0 JDADLO CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)c[nH+]1 ZINC001503393685 1071653150 /nfs/dbraw/zinc/65/31/50/1071653150.db2.gz OUAFRVIYAYARHI-MRXNPFEDSA-N 1 2 466.512 1.813 20 0 JDADLO CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(C)(C)C)C2)c[nH+]1 ZINC001503394971 1071654474 /nfs/dbraw/zinc/65/44/74/1071654474.db2.gz VGLDRQHYONOGTK-MOPGFXCFSA-N 1 2 491.662 1.993 20 0 JDADLO COCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001504812983 1071685297 /nfs/dbraw/zinc/68/52/97/1071685297.db2.gz JPVJNOPKWOHHMV-HKUYNNGSSA-N 1 2 478.619 1.321 20 0 JDADLO COCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001504814769 1071686936 /nfs/dbraw/zinc/68/69/36/1071686936.db2.gz YTRDVGLZRXIDFM-LEWJYISDSA-N 1 2 490.674 1.864 20 0 JDADLO COCCCN(c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001504815912 1071688609 /nfs/dbraw/zinc/68/86/09/1071688609.db2.gz DPFXYTVWVYLHFW-PMACEKPBSA-N 1 2 467.636 1.464 20 0 JDADLO COCCCN(c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001504815912 1071688613 /nfs/dbraw/zinc/68/86/13/1071688613.db2.gz DPFXYTVWVYLHFW-PMACEKPBSA-N 1 2 467.636 1.464 20 0 JDADLO COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001504820350 1071705814 /nfs/dbraw/zinc/70/58/14/1071705814.db2.gz LOFLGNLQZJZYOS-MRXNPFEDSA-N 1 2 471.027 1.900 20 0 JDADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCS2)CC1 ZINC001504830121 1071712837 /nfs/dbraw/zinc/71/28/37/1071712837.db2.gz BGEWKLPGFSEMOJ-MOPGFXCFSA-N 1 2 475.663 1.842 20 0 JDADLO CN(c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001503432906 1071728584 /nfs/dbraw/zinc/72/85/84/1071728584.db2.gz QZPCUCSUKZHUGK-SFHVURJKSA-N 1 2 462.620 1.770 20 0 JDADLO CN(C1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)CC1)S(C)(=O)=O ZINC001503437117 1071739749 /nfs/dbraw/zinc/73/97/49/1071739749.db2.gz PURUWLVFMOPNDD-GOSISDBHSA-N 1 2 470.640 1.101 20 0 JDADLO CN(C1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)CC1)S(C)(=O)=O ZINC001503437117 1071739759 /nfs/dbraw/zinc/73/97/59/1071739759.db2.gz PURUWLVFMOPNDD-GOSISDBHSA-N 1 2 470.640 1.101 20 0 JDADLO COCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001504846591 1071742657 /nfs/dbraw/zinc/74/26/57/1071742657.db2.gz KIIJBHBDVAYEHF-IBGZPJMESA-N 1 2 462.620 1.942 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001503438105 1071745350 /nfs/dbraw/zinc/74/53/50/1071745350.db2.gz ATSMKEBXBUIYLR-QHCPKHFHSA-N 1 2 493.678 1.073 20 0 JDADLO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001503438261 1071746928 /nfs/dbraw/zinc/74/69/28/1071746928.db2.gz WJRCHUZRNLMBHH-ROUUACIJSA-N 1 2 491.543 1.105 20 0 JDADLO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001503438259 1071746957 /nfs/dbraw/zinc/74/69/57/1071746957.db2.gz WJRCHUZRNLMBHH-MSOLQXFVSA-N 1 2 491.543 1.105 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCSCC1 ZINC001503438856 1071748263 /nfs/dbraw/zinc/74/82/63/1071748263.db2.gz FYMCMWKLMTULEJ-UHFFFAOYSA-N 1 2 494.687 1.748 20 0 JDADLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1CC1([S@@](C)=O)CC1 ZINC001503449077 1071769816 /nfs/dbraw/zinc/76/98/16/1071769816.db2.gz NNVQJSPOJHLNFE-JGCGQSQUSA-N 1 2 460.648 1.970 20 0 JDADLO COCCN(CC(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001504872735 1071805515 /nfs/dbraw/zinc/80/55/15/1071805515.db2.gz APJMVIKCZCRQMT-HXUWFJFHSA-N 1 2 492.646 1.569 20 0 JDADLO COCCN(CC(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001504872734 1071805580 /nfs/dbraw/zinc/80/55/80/1071805580.db2.gz APJMVIKCZCRQMT-FQEVSTJZSA-N 1 2 492.646 1.569 20 0 JDADLO CN(Cc1cnn(C)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001503497642 1071807634 /nfs/dbraw/zinc/80/76/34/1071807634.db2.gz JXOULVYQSOLCTI-ICSRJNTNSA-N 1 2 475.594 1.992 20 0 JDADLO CN(CC1CCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1cccc[nH+]1 ZINC001503534390 1071828400 /nfs/dbraw/zinc/82/84/00/1071828400.db2.gz CGEDUUZAJSRQPY-SFHVURJKSA-N 1 2 463.608 1.745 20 0 JDADLO COCCN1C[C@@H](Cn2c(-c3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)CC1=O ZINC001504900223 1071830025 /nfs/dbraw/zinc/83/00/25/1071830025.db2.gz LHOOLCXOAFAYMM-SFHVURJKSA-N 1 2 460.554 1.348 20 0 JDADLO COCCN1C[C@@H](Cn2c(CC(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)CC1=O ZINC001504906869 1071850931 /nfs/dbraw/zinc/85/09/31/1071850931.db2.gz QYHYCHHVTYIWOK-IBGZPJMESA-N 1 2 456.595 1.397 20 0 JDADLO CN(CCC(F)(F)F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503566702 1071856106 /nfs/dbraw/zinc/85/61/06/1071856106.db2.gz PJBNXGDAJFHRNJ-INIZCTEOSA-N 1 2 488.536 1.849 20 0 JDADLO COCC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001504909699 1071861993 /nfs/dbraw/zinc/86/19/93/1071861993.db2.gz DKUIIFKUJAODRD-UHFFFAOYSA-N 1 2 488.633 1.842 20 0 JDADLO COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001504911325 1071866809 /nfs/dbraw/zinc/86/68/09/1071866809.db2.gz VHRUKDDTEWWEHI-GHRAFVERSA-N 1 2 469.652 1.388 20 0 JDADLO CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC001503595687 1071871567 /nfs/dbraw/zinc/87/15/67/1071871567.db2.gz PIRSXWFQSWJJGW-QGZVFWFLSA-N 1 2 465.599 1.255 20 0 JDADLO COCCN1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1=O ZINC001504915238 1071877280 /nfs/dbraw/zinc/87/72/80/1071877280.db2.gz RUNCCNQFRUXJGN-UHFFFAOYSA-N 1 2 453.522 1.889 20 0 JDADLO CN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)CC(F)(F)F ZINC001503597514 1071873666 /nfs/dbraw/zinc/87/36/66/1071873666.db2.gz GSZVGCTVBVCSRJ-MRXNPFEDSA-N 1 2 480.601 1.985 20 0 JDADLO CN(CCCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1CCc1cn2ccccc2[nH+]1 ZINC001503605077 1071887421 /nfs/dbraw/zinc/88/74/21/1071887421.db2.gz DQSKRKMBRJKBBJ-UHFFFAOYSA-N 1 2 459.576 1.162 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001504920246 1071892102 /nfs/dbraw/zinc/89/21/02/1071892102.db2.gz PKBCRCHEMXHBMX-YPAWHYETSA-N 1 2 464.655 1.686 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001504920246 1071892104 /nfs/dbraw/zinc/89/21/04/1071892104.db2.gz PKBCRCHEMXHBMX-YPAWHYETSA-N 1 2 464.655 1.686 20 0 JDADLO CN(C)S(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503617831 1071903836 /nfs/dbraw/zinc/90/38/36/1071903836.db2.gz CXLCJSSPSBXKGW-UHFFFAOYSA-N 1 2 457.000 1.258 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001503618827 1071906396 /nfs/dbraw/zinc/90/63/96/1071906396.db2.gz LLIHEHXBQFHQIY-FQEVSTJZSA-N 1 2 463.604 1.740 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001503618862 1071906425 /nfs/dbraw/zinc/90/64/25/1071906425.db2.gz MHGCRYULMMEQTE-MOPGFXCFSA-N 1 2 460.554 1.034 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001503618865 1071906497 /nfs/dbraw/zinc/90/64/97/1071906497.db2.gz MHGCRYULMMEQTE-RTBURBONSA-N 1 2 460.554 1.034 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCCCC1 ZINC001503618431 1071904786 /nfs/dbraw/zinc/90/47/86/1071904786.db2.gz KRKSBXRBHHTKFR-UHFFFAOYSA-N 1 2 477.631 1.812 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1Cc1ncn(C)n1 ZINC001503618704 1071905509 /nfs/dbraw/zinc/90/55/09/1071905509.db2.gz MZIXFTRLMCRQAA-UHFFFAOYSA-N 1 2 461.368 1.653 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001503618864 1071906604 /nfs/dbraw/zinc/90/66/04/1071906604.db2.gz MHGCRYULMMEQTE-RBUKOAKNSA-N 1 2 460.554 1.034 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccsc1 ZINC001503617718 1071903038 /nfs/dbraw/zinc/90/30/38/1071903038.db2.gz ABGHYWMWSMRQMC-QFIPXVFZSA-N 1 2 471.587 1.663 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001503618863 1071906667 /nfs/dbraw/zinc/90/66/67/1071906667.db2.gz MHGCRYULMMEQTE-OALUTQOASA-N 1 2 460.554 1.034 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC1 ZINC001503617664 1071903448 /nfs/dbraw/zinc/90/34/48/1071903448.db2.gz ANBOJGBWFSQPIR-UHFFFAOYSA-N 1 2 464.611 1.686 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccsc1 ZINC001503617714 1071903459 /nfs/dbraw/zinc/90/34/59/1071903459.db2.gz ABGHYWMWSMRQMC-JOCHJYFZSA-N 1 2 471.587 1.663 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(N)=O)nc1 ZINC001503618935 1071907397 /nfs/dbraw/zinc/90/73/97/1071907397.db2.gz BEWSJMBYJOTMQH-UHFFFAOYSA-N 1 2 456.938 1.304 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)c1ccccc1 ZINC001503619323 1071908309 /nfs/dbraw/zinc/90/83/09/1071908309.db2.gz PLNZHJMQMPJKKG-UHFFFAOYSA-N 1 2 464.636 1.614 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccccc1 ZINC001503619428 1071908334 /nfs/dbraw/zinc/90/83/34/1071908334.db2.gz HRJMLBZQFVNCLR-UHFFFAOYSA-N 1 2 471.587 1.087 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccncc1Cl ZINC001503619519 1071909376 /nfs/dbraw/zinc/90/93/76/1071909376.db2.gz YLOQVVVTSMZMJZ-UHFFFAOYSA-N 1 2 456.938 1.791 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001503620166 1071910897 /nfs/dbraw/zinc/91/08/97/1071910897.db2.gz YSVJIYPSEPPFDG-HXUWFJFHSA-N 1 2 497.566 1.686 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)c1ccn[nH]1 ZINC001503620052 1071910950 /nfs/dbraw/zinc/91/09/50/1071910950.db2.gz NOYNGIDOGDUZAC-UHFFFAOYSA-N 1 2 458.954 1.520 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001503620405 1071911317 /nfs/dbraw/zinc/91/13/17/1071911317.db2.gz YHNBYFVULDJTJP-SFHVURJKSA-N 1 2 484.527 1.157 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001503620360 1071911341 /nfs/dbraw/zinc/91/13/41/1071911341.db2.gz WHDFUYJYGQJLGX-GOSISDBHSA-N 1 2 472.594 1.903 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001503620392 1071911661 /nfs/dbraw/zinc/91/16/61/1071911661.db2.gz XQWGSYKZXZAWIX-IBGZPJMESA-N 1 2 483.539 1.762 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001503620656 1071912912 /nfs/dbraw/zinc/91/29/12/1071912912.db2.gz FNCFUAJHXNPQFQ-QHCPKHFHSA-N 1 2 477.009 1.730 20 0 JDADLO COCCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001504926395 1071918186 /nfs/dbraw/zinc/91/81/86/1071918186.db2.gz LCSWOHRJPFNFBP-HXUWFJFHSA-N 1 2 488.658 1.895 20 0 JDADLO COCCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001504926395 1071918193 /nfs/dbraw/zinc/91/81/93/1071918193.db2.gz LCSWOHRJPFNFBP-HXUWFJFHSA-N 1 2 488.658 1.895 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1COCCO1 ZINC001503621776 1071918596 /nfs/dbraw/zinc/91/85/96/1071918596.db2.gz SVLCULISRDLOBP-IBGZPJMESA-N 1 2 496.406 1.803 20 0 JDADLO COCCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1=O ZINC001504927035 1071921312 /nfs/dbraw/zinc/92/13/12/1071921312.db2.gz WIEWVALVBAJGNR-UHFFFAOYSA-N 1 2 455.588 1.735 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001503622598 1071922530 /nfs/dbraw/zinc/92/25/30/1071922530.db2.gz PAUCYPJFPQACNR-HXUWFJFHSA-N 1 2 491.662 1.981 20 0 JDADLO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001504927976 1071925426 /nfs/dbraw/zinc/92/54/26/1071925426.db2.gz WOYVSKZMTSZLMN-FQEVSTJZSA-N 1 2 472.590 1.181 20 0 JDADLO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001504927976 1071925440 /nfs/dbraw/zinc/92/54/40/1071925440.db2.gz WOYVSKZMTSZLMN-FQEVSTJZSA-N 1 2 472.590 1.181 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001504928267 1071926762 /nfs/dbraw/zinc/92/67/62/1071926762.db2.gz ADTIUOQWQVQROH-VAMGGRTRSA-N 1 2 464.655 1.955 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@](=O)C(C)(C)C)C[C@H]1C ZINC001504929168 1071929749 /nfs/dbraw/zinc/92/97/49/1071929749.db2.gz XEPAWARYDZKHAJ-YWAMFIQGSA-N 1 2 471.668 1.706 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@](=O)C(C)(C)C)C[C@H]1C ZINC001504929168 1071929763 /nfs/dbraw/zinc/92/97/63/1071929763.db2.gz XEPAWARYDZKHAJ-YWAMFIQGSA-N 1 2 471.668 1.706 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1C ZINC001504929167 1071930065 /nfs/dbraw/zinc/93/00/65/1071930065.db2.gz XEPAWARYDZKHAJ-PDKTUEEZSA-N 1 2 471.668 1.706 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1C ZINC001504929167 1071930080 /nfs/dbraw/zinc/93/00/80/1071930080.db2.gz XEPAWARYDZKHAJ-PDKTUEEZSA-N 1 2 471.668 1.706 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504930466 1071934334 /nfs/dbraw/zinc/93/43/34/1071934334.db2.gz JIBQIUFBQYEHNK-PZJWPPBQSA-N 1 2 477.654 1.008 20 0 JDADLO CN(CCOC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503626985 1071936255 /nfs/dbraw/zinc/93/62/55/1071936255.db2.gz MDPOECUVJJACID-IBGZPJMESA-N 1 2 492.646 1.711 20 0 JDADLO CN(CCS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001503634793 1071945228 /nfs/dbraw/zinc/94/52/28/1071945228.db2.gz YLENGEUQFKXPGE-UHFFFAOYSA-N 1 2 458.592 1.593 20 0 JDADLO CN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001503639422 1071956711 /nfs/dbraw/zinc/95/67/11/1071956711.db2.gz PKCOHIRHNJGJKC-UHFFFAOYSA-N 1 2 475.550 1.254 20 0 JDADLO COCCn1c(=O)[nH]c(=O)c(NCc2ccccc2)c1NC(=O)C=C(C)C[NH+]1CCOCC1 ZINC001546284367 1071970425 /nfs/dbraw/zinc/97/04/25/1071970425.db2.gz SIVBPIJSHHBQSB-SAPNQHFASA-N 1 2 457.531 1.424 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001504938664 1071974961 /nfs/dbraw/zinc/97/49/61/1071974961.db2.gz SWFKKZPZAHGEIR-UHFFFAOYSA-N 1 2 485.633 1.736 20 0 JDADLO COCCO[C@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504941995 1071984783 /nfs/dbraw/zinc/98/47/83/1071984783.db2.gz HLVWGQOOWSZEGL-RBUKOAKNSA-N 1 2 467.611 1.845 20 0 JDADLO COCCO[C@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504941995 1071984794 /nfs/dbraw/zinc/98/47/94/1071984794.db2.gz HLVWGQOOWSZEGL-RBUKOAKNSA-N 1 2 467.611 1.845 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504944461 1071986932 /nfs/dbraw/zinc/98/69/32/1071986932.db2.gz KLLRNDIKZITVHE-NTKDMRAZSA-N 1 2 481.638 1.887 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504944457 1071986940 /nfs/dbraw/zinc/98/69/40/1071986940.db2.gz KLLRNDIKZITVHE-DVECYGJZSA-N 1 2 481.638 1.887 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001504949871 1071994483 /nfs/dbraw/zinc/99/44/83/1071994483.db2.gz KFUHVDBJQHIPNK-GUDVDZBRSA-N 1 2 460.579 1.896 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001504949866 1071994632 /nfs/dbraw/zinc/99/46/32/1071994632.db2.gz KFUHVDBJQHIPNK-CEXWTWQISA-N 1 2 460.579 1.896 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504957770 1072002340 /nfs/dbraw/zinc/00/23/40/1072002340.db2.gz CBFQASBWKPCSEM-UGKGYDQZSA-N 1 2 478.638 1.419 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001504969155 1072017896 /nfs/dbraw/zinc/01/78/96/1072017896.db2.gz BMNUUBQZYXULLM-KZNAEPCWSA-N 1 2 466.608 1.708 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504969887 1072019995 /nfs/dbraw/zinc/01/99/95/1072019995.db2.gz HWLWYLINJQTWEZ-MRXNPFEDSA-N 1 2 486.577 1.032 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504970106 1072020437 /nfs/dbraw/zinc/02/04/37/1072020437.db2.gz XQAUPJSDKKEATI-JTSKRJEESA-N 1 2 478.619 1.526 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[C@H]1COCCO1 ZINC001504970911 1072021441 /nfs/dbraw/zinc/02/14/41/1072021441.db2.gz AJBLAUYYRYUVRT-HKUYNNGSSA-N 1 2 460.579 1.831 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[C@H]1COCCO1 ZINC001504970913 1072022005 /nfs/dbraw/zinc/02/20/05/1072022005.db2.gz AJBLAUYYRYUVRT-MJGOQNOKSA-N 1 2 460.579 1.831 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001504971619 1072022988 /nfs/dbraw/zinc/02/29/88/1072022988.db2.gz FBGMKPMDSDMGGU-MSOLQXFVSA-N 1 2 453.584 1.502 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001504971619 1072022999 /nfs/dbraw/zinc/02/29/99/1072022999.db2.gz FBGMKPMDSDMGGU-MSOLQXFVSA-N 1 2 453.584 1.502 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001503695817 1072034757 /nfs/dbraw/zinc/03/47/57/1072034757.db2.gz UWDXZIRHHVQGDJ-IBGZPJMESA-N 1 2 457.627 1.056 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001503696766 1072037323 /nfs/dbraw/zinc/03/73/23/1072037323.db2.gz FOQGTWPSZYOUJX-HXUWFJFHSA-N 1 2 454.623 1.717 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001504987231 1072038943 /nfs/dbraw/zinc/03/89/43/1072038943.db2.gz INKIYYLYRFUYRB-MOPGFXCFSA-N 1 2 487.605 1.339 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001504987433 1072039488 /nfs/dbraw/zinc/03/94/88/1072039488.db2.gz JNGXDLRPIGQXAB-YSFYHYPLSA-N 1 2 492.665 1.808 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001504989580 1072044785 /nfs/dbraw/zinc/04/47/85/1072044785.db2.gz SBNRZKDRWHZPHW-SFHVURJKSA-N 1 2 453.547 1.905 20 0 JDADLO CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001503703853 1072045951 /nfs/dbraw/zinc/04/59/51/1072045951.db2.gz IWGCTNFGLXKQPX-GOSISDBHSA-N 1 2 471.606 1.115 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CC(=O)N(C)C ZINC001504994301 1072061943 /nfs/dbraw/zinc/06/19/43/1072061943.db2.gz HKMLJYFCHMGUJX-HNNXBMFYSA-N 1 2 451.597 1.177 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504997420 1072070924 /nfs/dbraw/zinc/07/09/24/1072070924.db2.gz XYFATPHHVACHLC-IRXDYDNUSA-N 1 2 464.533 1.407 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504997420 1072070929 /nfs/dbraw/zinc/07/09/29/1072070929.db2.gz XYFATPHHVACHLC-IRXDYDNUSA-N 1 2 464.533 1.407 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001504999778 1072077183 /nfs/dbraw/zinc/07/71/83/1072077183.db2.gz FCMOPALECCUCEN-KRWDZBQOSA-N 1 2 460.560 1.471 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCS(=O)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001505002926 1072083809 /nfs/dbraw/zinc/08/38/09/1072083809.db2.gz QNZANYXNUYWWBU-FGTMMUONSA-N 1 2 457.641 1.459 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCS(=O)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001505002926 1072083814 /nfs/dbraw/zinc/08/38/14/1072083814.db2.gz QNZANYXNUYWWBU-FGTMMUONSA-N 1 2 457.641 1.459 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001505006387 1072086826 /nfs/dbraw/zinc/08/68/26/1072086826.db2.gz HHBROQLDTAPCPX-FHWLQOOXSA-N 1 2 482.626 1.826 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001505006389 1072086849 /nfs/dbraw/zinc/08/68/49/1072086849.db2.gz HHBROQLDTAPCPX-QRVBRYPASA-N 1 2 482.626 1.826 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505007110 1072088492 /nfs/dbraw/zinc/08/84/92/1072088492.db2.gz SQBXBJAHFWMBHT-WIYYLYMNSA-N 1 2 476.578 1.337 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001505007713 1072089419 /nfs/dbraw/zinc/08/94/19/1072089419.db2.gz BQRSALIBKCPIGC-ZGXWSNOMSA-N 1 2 451.612 1.974 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001505010425 1072093751 /nfs/dbraw/zinc/09/37/51/1072093751.db2.gz QEDMZEPZBMWSMW-FVJVTNMWSA-N 1 2 494.637 1.826 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001505010428 1072093781 /nfs/dbraw/zinc/09/37/81/1072093781.db2.gz QEDMZEPZBMWSMW-YDLHNXBPSA-N 1 2 494.637 1.826 20 0 JDADLO COCCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001505019108 1072107003 /nfs/dbraw/zinc/10/70/03/1072107003.db2.gz XKYGYGJRFVOKQO-LJQANCHMSA-N 1 2 487.605 1.668 20 0 JDADLO COCCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001505019108 1072107015 /nfs/dbraw/zinc/10/70/15/1072107015.db2.gz XKYGYGJRFVOKQO-LJQANCHMSA-N 1 2 487.605 1.668 20 0 JDADLO COCCOC1CCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001505035047 1072130530 /nfs/dbraw/zinc/13/05/30/1072130530.db2.gz QZFCSFLUOYFXMP-UHFFFAOYSA-N 1 2 462.639 1.807 20 0 JDADLO COCCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001505046200 1072143123 /nfs/dbraw/zinc/14/31/23/1072143123.db2.gz SNUHGYMDCBTBTL-LEWJYISDSA-N 1 2 461.611 1.492 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(C)on2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505060820 1072162981 /nfs/dbraw/zinc/16/29/81/1072162981.db2.gz HQHOFKLYEYDFDI-ICSRJNTNSA-N 1 2 461.567 1.099 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCc2ccccc2F)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505062965 1072164816 /nfs/dbraw/zinc/16/48/16/1072164816.db2.gz UHQHYOOBSUPFFK-GMAHTHKFSA-N 1 2 488.608 1.984 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001505072763 1072183230 /nfs/dbraw/zinc/18/32/30/1072183230.db2.gz UBOQMUFJCRABSF-ULQDDVLXSA-N 1 2 477.528 1.616 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001505072763 1072183240 /nfs/dbraw/zinc/18/32/40/1072183240.db2.gz UBOQMUFJCRABSF-ULQDDVLXSA-N 1 2 477.528 1.616 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001505079804 1072199973 /nfs/dbraw/zinc/19/99/73/1072199973.db2.gz AFZQDJAIYXELED-UGKGYDQZSA-N 1 2 471.606 1.816 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001505079667 1072198810 /nfs/dbraw/zinc/19/88/10/1072198810.db2.gz JGLVJHCUSMQRCN-AABGKKOBSA-N 1 2 493.653 1.353 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001505079667 1072198811 /nfs/dbraw/zinc/19/88/11/1072198811.db2.gz JGLVJHCUSMQRCN-AABGKKOBSA-N 1 2 493.653 1.353 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCC(=O)NC(C)(C)C ZINC001505080824 1072206050 /nfs/dbraw/zinc/20/60/50/1072206050.db2.gz RLCAZVGEEIAARC-RXVVDRJESA-N 1 2 486.621 1.732 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505082187 1072213089 /nfs/dbraw/zinc/21/30/89/1072213089.db2.gz HMZLLKYURDADRC-IHPCNDPISA-N 1 2 464.611 1.170 20 0 JDADLO CON(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505093622 1072231444 /nfs/dbraw/zinc/23/14/44/1072231444.db2.gz ULVDYYPVFMSRST-GOSISDBHSA-N 1 2 465.599 1.554 20 0 JDADLO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1OC ZINC001505113660 1072250707 /nfs/dbraw/zinc/25/07/07/1072250707.db2.gz CPPNIFOVTQEBHD-QRVBRYPASA-N 1 2 473.578 1.132 20 0 JDADLO CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001505121614 1072270602 /nfs/dbraw/zinc/27/06/02/1072270602.db2.gz JHCYKECRSHUEGN-FQEVSTJZSA-N 1 2 495.671 1.848 20 0 JDADLO CS(=O)(=O)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2cccc[nH+]2)C1 ZINC001505127989 1072289931 /nfs/dbraw/zinc/28/99/31/1072289931.db2.gz RVTGBYNPDSMNJY-INIZCTEOSA-N 1 2 489.627 1.790 20 0 JDADLO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC[C@H](C(F)F)C3)n2CCCNc2cccc[nH+]2)C1 ZINC001505139538 1072338263 /nfs/dbraw/zinc/33/82/63/1072338263.db2.gz RDLBSYHWBHKMFQ-IRXDYDNUSA-N 1 2 499.588 1.990 20 0 JDADLO CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001464847912 1067675376 /nfs/dbraw/zinc/67/53/76/1067675376.db2.gz DBSSYFWEBRVMMM-GOSISDBHSA-N 1 2 451.932 1.558 20 0 JDADLO CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001464870093 1067679350 /nfs/dbraw/zinc/67/93/50/1067679350.db2.gz OLLRANVGSSTIGY-FQEVSTJZSA-N 1 2 459.572 1.768 20 0 JDADLO Cc1[nH]nc(I)c1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC001464873826 1067679860 /nfs/dbraw/zinc/67/98/60/1067679860.db2.gz NFZYTFLJYQSIRU-UHFFFAOYSA-N 1 2 453.284 1.380 20 0 JDADLO COc1ccc(Cn2cc(C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cn2)cc1OC ZINC001464892756 1067687953 /nfs/dbraw/zinc/68/79/53/1067687953.db2.gz KAHGXEAALFAZMJ-UHFFFAOYSA-N 1 2 455.559 1.719 20 0 JDADLO COc1ccc(Cn2cc(C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)cn2)cc1OC ZINC001464892756 1067687962 /nfs/dbraw/zinc/68/79/62/1067687962.db2.gz KAHGXEAALFAZMJ-UHFFFAOYSA-N 1 2 455.559 1.719 20 0 JDADLO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001464904458 1067694497 /nfs/dbraw/zinc/69/44/97/1067694497.db2.gz JKTSLAFHYIJGPG-IBGZPJMESA-N 1 2 456.584 1.419 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC001464904867 1067694749 /nfs/dbraw/zinc/69/47/49/1067694749.db2.gz LRYAMHGLZDEISE-FQEVSTJZSA-N 1 2 451.589 1.803 20 0 JDADLO Cc1cc(C)n2nc(SCc3ccccc3C(=O)N[C@H]3CCC[N@H+](CC(N)=O)C3)nc2n1 ZINC001464925056 1067703716 /nfs/dbraw/zinc/70/37/16/1067703716.db2.gz LSHXKCIVPGBFIO-KRWDZBQOSA-N 1 2 453.572 1.713 20 0 JDADLO Cc1cc(C)n2nc(SCc3ccccc3C(=O)N[C@H]3CCC[N@@H+](CC(N)=O)C3)nc2n1 ZINC001464925056 1067703733 /nfs/dbraw/zinc/70/37/33/1067703733.db2.gz LSHXKCIVPGBFIO-KRWDZBQOSA-N 1 2 453.572 1.713 20 0 JDADLO NS(=O)(=O)c1ccc(O)c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001464950581 1067710734 /nfs/dbraw/zinc/71/07/34/1067710734.db2.gz AWUGJWBMXHALEP-UHFFFAOYSA-N 1 2 452.964 1.635 20 0 JDADLO Cc1cc(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc(C)[nH+]1 ZINC001464959192 1067714081 /nfs/dbraw/zinc/71/40/81/1067714081.db2.gz NVMMIOUZAPVQPK-QGZVFWFLSA-N 1 2 452.558 1.486 20 0 JDADLO CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001464966513 1067716296 /nfs/dbraw/zinc/71/62/96/1067716296.db2.gz NAZOCNZWIWPGAR-GOSISDBHSA-N 1 2 456.609 1.491 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC001464972633 1067718156 /nfs/dbraw/zinc/71/81/56/1067718156.db2.gz QXHXYQBANQVRMN-OAQYLSRUSA-N 1 2 454.593 1.501 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC001464972633 1067718163 /nfs/dbraw/zinc/71/81/63/1067718163.db2.gz QXHXYQBANQVRMN-OAQYLSRUSA-N 1 2 454.593 1.501 20 0 JDADLO C[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@@H](C)[NH+]1CCOCC1 ZINC001464977834 1067718547 /nfs/dbraw/zinc/71/85/47/1067718547.db2.gz ZXQNOIORKNFPPM-HUUCEWRRSA-N 1 2 451.365 1.745 20 0 JDADLO C[C@H]([C@H](C)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC001464977840 1067718638 /nfs/dbraw/zinc/71/86/38/1067718638.db2.gz ZXQNOIORKNFPPM-LSDHHAIUSA-N 1 2 451.365 1.745 20 0 JDADLO C[C@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@H](C)[NH+]1CCOCC1 ZINC001464977826 1067718679 /nfs/dbraw/zinc/71/86/79/1067718679.db2.gz ZXQNOIORKNFPPM-GJZGRUSLSA-N 1 2 451.365 1.745 20 0 JDADLO NS(=O)(=O)c1cnn(CC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)c1 ZINC001464995493 1067722778 /nfs/dbraw/zinc/72/27/78/1067722778.db2.gz DRGCBLDVJOUPNM-UHFFFAOYSA-N 1 2 454.915 1.639 20 0 JDADLO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001465000073 1067724333 /nfs/dbraw/zinc/72/43/33/1067724333.db2.gz BBTDCPISVKUKSF-APWZRJJASA-N 1 2 455.625 1.872 20 0 JDADLO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001465000073 1067724343 /nfs/dbraw/zinc/72/43/43/1067724343.db2.gz BBTDCPISVKUKSF-APWZRJJASA-N 1 2 455.625 1.872 20 0 JDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC001465003901 1067726503 /nfs/dbraw/zinc/72/65/03/1067726503.db2.gz KEDKXPDXBRGPTI-UHFFFAOYSA-N 1 2 459.572 1.315 20 0 JDADLO NC(=O)C1CC2(C1)C[C@H](NC(=O)Nc1nc(C[NH+]3CCCCC3)cs1)CCS2(=O)=O ZINC001465018523 1067728553 /nfs/dbraw/zinc/72/85/53/1067728553.db2.gz DBLUBZPCWLTRHS-SHYRYGCCSA-N 1 2 455.606 1.462 20 0 JDADLO C[C@@H]1CN(Cc2csc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)n2)C[C@@H](C)O1 ZINC001465161346 1067755342 /nfs/dbraw/zinc/75/53/42/1067755342.db2.gz IQFDZJCTSQVGJL-HUUCEWRRSA-N 1 2 459.638 1.383 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001465207978 1067761163 /nfs/dbraw/zinc/76/11/63/1067761163.db2.gz URGNMAFHYRBEKJ-APWZRJJASA-N 1 2 453.609 1.626 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001465207978 1067761171 /nfs/dbraw/zinc/76/11/71/1067761171.db2.gz URGNMAFHYRBEKJ-APWZRJJASA-N 1 2 453.609 1.626 20 0 JDADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)Nc2ccccc2CN2C(=O)CNC2=O)C1 ZINC001465292410 1067773395 /nfs/dbraw/zinc/77/33/95/1067773395.db2.gz JUQGRXGGPWCNQD-HXUWFJFHSA-N 1 2 450.543 1.676 20 0 JDADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)Nc2ccccc2CN2C(=O)CNC2=O)C1 ZINC001465292410 1067773408 /nfs/dbraw/zinc/77/34/08/1067773408.db2.gz JUQGRXGGPWCNQD-HXUWFJFHSA-N 1 2 450.543 1.676 20 0 JDADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1=O ZINC001465312018 1067777834 /nfs/dbraw/zinc/77/78/34/1067777834.db2.gz ZAKVUVMBRPYHEH-XDHUDOTRSA-N 1 2 451.527 1.763 20 0 JDADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465377817 1067789725 /nfs/dbraw/zinc/78/97/25/1067789725.db2.gz HNHQLRIIKXSPKR-HXUWFJFHSA-N 1 2 459.978 1.865 20 0 JDADLO O=C(COCCc1ccc(Br)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379123 1067790570 /nfs/dbraw/zinc/79/05/70/1067790570.db2.gz HIJJTRHBSMYPPP-GOSISDBHSA-N 1 2 454.365 1.058 20 0 JDADLO CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379317 1067791126 /nfs/dbraw/zinc/79/11/26/1067791126.db2.gz MZUOPLVGLJPCED-KRWDZBQOSA-N 1 2 456.568 1.688 20 0 JDADLO O=C(NCCC(=O)N1CC[NH+](CCn2cncn2)CC1)Nc1ccc(Br)cc1 ZINC001465396369 1067794737 /nfs/dbraw/zinc/79/47/37/1067794737.db2.gz DKFUPYOWLZHZRT-UHFFFAOYSA-N 1 2 450.341 1.397 20 0 JDADLO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Oc1ccc(Br)cc1 ZINC001465417396 1067797068 /nfs/dbraw/zinc/79/70/68/1067797068.db2.gz XNORDYFCHFJOMG-HZPDHXFCSA-N 1 2 454.365 1.513 20 0 JDADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC001465446622 1067801433 /nfs/dbraw/zinc/80/14/33/1067801433.db2.gz LMSPJFJIHXZDOY-QHCPKHFHSA-N 1 2 457.575 1.762 20 0 JDADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)CC2 ZINC001465546862 1067810042 /nfs/dbraw/zinc/81/00/42/1067810042.db2.gz DYEDJMQEYCOXPZ-UHFFFAOYSA-N 1 2 452.577 1.473 20 0 JDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001465702320 1067821335 /nfs/dbraw/zinc/82/13/35/1067821335.db2.gz GUHUFQLDOROOQA-FDDCHVKYSA-N 1 2 455.596 1.070 20 0 JDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001465701957 1067821396 /nfs/dbraw/zinc/82/13/96/1067821396.db2.gz CMCSAZNBRBOODM-IBGZPJMESA-N 1 2 457.493 1.709 20 0 JDADLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001465702402 1067821625 /nfs/dbraw/zinc/82/16/25/1067821625.db2.gz INGURLXANHPOER-RTBURBONSA-N 1 2 453.605 1.323 20 0 JDADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC001465736476 1067824563 /nfs/dbraw/zinc/82/45/63/1067824563.db2.gz MJJOKNZXQWXYAN-MRXNPFEDSA-N 1 2 453.561 1.189 20 0 JDADLO O=C(NCCNC(=O)c1ccccc1C(F)(F)F)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001465739528 1067824944 /nfs/dbraw/zinc/82/49/44/1067824944.db2.gz BPROJSMBXQHIJI-UHFFFAOYSA-N 1 2 454.453 1.786 20 0 JDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1 ZINC001465748354 1067825953 /nfs/dbraw/zinc/82/59/53/1067825953.db2.gz JUMQWNHBMBHIQR-UHFFFAOYSA-N 1 2 455.581 1.475 20 0 JDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1 ZINC001465748354 1067825962 /nfs/dbraw/zinc/82/59/62/1067825962.db2.gz JUMQWNHBMBHIQR-UHFFFAOYSA-N 1 2 455.581 1.475 20 0 JDADLO C[N@@H+]1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781621 1067829620 /nfs/dbraw/zinc/82/96/20/1067829620.db2.gz AUIPIZXFKZMMIN-IAGOWNOFSA-N 1 2 456.584 1.680 20 0 JDADLO C[N@H+]1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781621 1067829625 /nfs/dbraw/zinc/82/96/25/1067829625.db2.gz AUIPIZXFKZMMIN-IAGOWNOFSA-N 1 2 456.584 1.680 20 0 JDADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC001465786049 1067830486 /nfs/dbraw/zinc/83/04/86/1067830486.db2.gz ZQSVDEMYPDEHLJ-RDJZCZTQSA-N 1 2 450.511 1.836 20 0 JDADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 ZINC001465834060 1067835200 /nfs/dbraw/zinc/83/52/00/1067835200.db2.gz BQNAAMZMWSBSJA-GSHUGGBRSA-N 1 2 466.604 1.483 20 0 JDADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 ZINC001465834993 1067835451 /nfs/dbraw/zinc/83/54/51/1067835451.db2.gz WPGJYRMESOUQRX-HNNXBMFYSA-N 1 2 452.602 1.722 20 0 JDADLO C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCOCC1 ZINC001465852916 1067836614 /nfs/dbraw/zinc/83/66/14/1067836614.db2.gz RJBQYPQDBKSMOU-MOPGFXCFSA-N 1 2 455.596 1.646 20 0 JDADLO O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001465852458 1067836622 /nfs/dbraw/zinc/83/66/22/1067836622.db2.gz GDDFCWFRKQITBO-ROUUACIJSA-N 1 2 457.618 1.241 20 0 JDADLO COc1cc(NC(C)=O)ccc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001465952403 1067846232 /nfs/dbraw/zinc/84/62/32/1067846232.db2.gz QVAAEFMLWOERGQ-UHFFFAOYSA-N 1 2 455.519 1.634 20 0 JDADLO COc1cc(NC(C)=O)ccc1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001465952403 1067846234 /nfs/dbraw/zinc/84/62/34/1067846234.db2.gz QVAAEFMLWOERGQ-UHFFFAOYSA-N 1 2 455.519 1.634 20 0 JDADLO CCOC1CC(CNC(=O)Nc2cccc3c2CCN3S(C)(=O)=O)([NH+]2CCOCC2)C1 ZINC001466115834 1067861073 /nfs/dbraw/zinc/86/10/73/1067861073.db2.gz UVIAEMQDVDSDBC-UHFFFAOYSA-N 1 2 452.577 1.400 20 0 JDADLO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001466146750 1067864311 /nfs/dbraw/zinc/86/43/11/1067864311.db2.gz UVFKQMYEYWSAEQ-BEFAXECRSA-N 1 2 452.602 1.868 20 0 JDADLO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C ZINC001466152113 1067865098 /nfs/dbraw/zinc/86/50/98/1067865098.db2.gz YUACCFTYPYMGQJ-MJGOQNOKSA-N 1 2 459.572 1.006 20 0 JDADLO COc1ccc2c(c1NC(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC001466169005 1067866957 /nfs/dbraw/zinc/86/69/57/1067866957.db2.gz WTZMKCLWDDWPTP-UHFFFAOYSA-N 1 2 459.572 1.852 20 0 JDADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001466303151 1067877904 /nfs/dbraw/zinc/87/79/04/1067877904.db2.gz ODSOTMPKZCNBLT-DLBZAZTESA-N 1 2 451.470 1.789 20 0 JDADLO COCCNS(=O)(=O)c1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC001466398738 1067883030 /nfs/dbraw/zinc/88/30/30/1067883030.db2.gz SEISXRRDPYFOAW-WBVHZDCISA-N 1 2 451.549 1.931 20 0 JDADLO CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(F)(F)F ZINC001466501485 1067889392 /nfs/dbraw/zinc/88/93/92/1067889392.db2.gz CKJGYWJELHNILT-HNNXBMFYSA-N 1 2 451.515 1.931 20 0 JDADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC001466635090 1067896394 /nfs/dbraw/zinc/89/63/94/1067896394.db2.gz GIZADADVPNHELP-ZDUSSCGKSA-N 1 2 451.277 1.188 20 0 JDADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC001466635090 1067896395 /nfs/dbraw/zinc/89/63/95/1067896395.db2.gz GIZADADVPNHELP-ZDUSSCGKSA-N 1 2 451.277 1.188 20 0 JDADLO C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1=O ZINC001466699127 1067902852 /nfs/dbraw/zinc/90/28/52/1067902852.db2.gz DGYHMTIAWDYTNP-FDDCHVKYSA-N 1 2 452.515 1.516 20 0 JDADLO C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1=O ZINC001466699127 1067902883 /nfs/dbraw/zinc/90/28/83/1067902883.db2.gz DGYHMTIAWDYTNP-FDDCHVKYSA-N 1 2 452.515 1.516 20 0 JDADLO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1CCN(c3cc[nH+]c(C)n3)CC1)CC2 ZINC001466758863 1067916502 /nfs/dbraw/zinc/91/65/02/1067916502.db2.gz JYJJAWLLYHEONU-UHFFFAOYSA-N 1 2 453.543 1.816 20 0 JDADLO CNC(=O)[C@@H]1CN(C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCO1 ZINC001466781404 1067919102 /nfs/dbraw/zinc/91/91/02/1067919102.db2.gz ADCMOAIMIUYYEO-FQEVSTJZSA-N 1 2 457.962 1.644 20 0 JDADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001466791804 1067921616 /nfs/dbraw/zinc/92/16/16/1067921616.db2.gz AAEXROUOHMQVMR-MOPGFXCFSA-N 1 2 452.596 1.415 20 0 JDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001466827133 1067928329 /nfs/dbraw/zinc/92/83/29/1067928329.db2.gz HVWFFOHXFINAIP-CQSZACIVSA-N 1 2 455.378 1.942 20 0 JDADLO COc1ccc(Br)c(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001466892829 1067942649 /nfs/dbraw/zinc/94/26/49/1067942649.db2.gz ZZOUOQBKOFVQCI-INIZCTEOSA-N 1 2 454.365 1.597 20 0 JDADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC001466952200 1067953423 /nfs/dbraw/zinc/95/34/23/1067953423.db2.gz SIGUHMUWTMJVFB-IBGZPJMESA-N 1 2 456.634 1.350 20 0 JDADLO O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001466971047 1067957487 /nfs/dbraw/zinc/95/74/87/1067957487.db2.gz WJGSBFJGTIASLS-HZPDHXFCSA-N 1 2 458.485 1.645 20 0 JDADLO O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001466971047 1067957496 /nfs/dbraw/zinc/95/74/96/1067957496.db2.gz WJGSBFJGTIASLS-HZPDHXFCSA-N 1 2 458.485 1.645 20 0 JDADLO COCCN1CN(C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1=O ZINC001467424876 1068016406 /nfs/dbraw/zinc/01/64/06/1068016406.db2.gz LNJNXIZWZQRDEY-UHFFFAOYSA-N 1 2 457.962 1.946 20 0 JDADLO Cn1cc(Br)c(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1=O ZINC001467450736 1068018437 /nfs/dbraw/zinc/01/84/37/1068018437.db2.gz CPTBSZHPXVRVQD-GFCCVEGCSA-N 1 2 458.357 1.820 20 0 JDADLO Cn1cc(Br)c(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1=O ZINC001467450736 1068018453 /nfs/dbraw/zinc/01/84/53/1068018453.db2.gz CPTBSZHPXVRVQD-GFCCVEGCSA-N 1 2 458.357 1.820 20 0 JDADLO Cn1cc(Br)c(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1=O ZINC001467450738 1068018614 /nfs/dbraw/zinc/01/86/14/1068018614.db2.gz CPTBSZHPXVRVQD-LBPRGKRZSA-N 1 2 458.357 1.820 20 0 JDADLO Cn1cc(Br)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1=O ZINC001467450738 1068018631 /nfs/dbraw/zinc/01/86/31/1068018631.db2.gz CPTBSZHPXVRVQD-LBPRGKRZSA-N 1 2 458.357 1.820 20 0 JDADLO C[S@](=O)C1(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001467501375 1068024096 /nfs/dbraw/zinc/02/40/96/1068024096.db2.gz QVPHPWGYYWVPGH-OKXSDPAFSA-N 1 2 457.637 1.705 20 0 JDADLO CC(C)[C@@H]1C[C@@H](CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001467646137 1068042247 /nfs/dbraw/zinc/04/22/47/1068042247.db2.gz GBMLBIHTPBKAKZ-OALUTQOASA-N 1 2 453.609 1.284 20 0 JDADLO CC(C)[C@@H]1C[C@H](CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001467646135 1068042430 /nfs/dbraw/zinc/04/24/30/1068042430.db2.gz GBMLBIHTPBKAKZ-MOPGFXCFSA-N 1 2 453.609 1.284 20 0 JDADLO O=C(NCCC1Cc2ccccc2C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467646479 1068043406 /nfs/dbraw/zinc/04/34/06/1068043406.db2.gz HKUASBWOECYQIJ-UHFFFAOYSA-N 1 2 457.600 1.638 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001467646992 1068043675 /nfs/dbraw/zinc/04/36/75/1068043675.db2.gz NTFDQFZVBDBIJL-RBUKOAKNSA-N 1 2 451.593 1.277 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001467646993 1068044113 /nfs/dbraw/zinc/04/41/13/1068044113.db2.gz NTFDQFZVBDBIJL-RTBURBONSA-N 1 2 451.593 1.277 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(c2ccccn2)CCC1 ZINC001467647668 1068044679 /nfs/dbraw/zinc/04/46/79/1068044679.db2.gz VHGLNNVRYOZPPW-UHFFFAOYSA-N 1 2 458.588 1.350 20 0 JDADLO CC1(C)C[C@H](CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)(C)O1 ZINC001467647277 1068044974 /nfs/dbraw/zinc/04/49/74/1068044974.db2.gz RQFPZRBBFKOYIA-QGZVFWFLSA-N 1 2 453.609 1.426 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCCC2(CCC2)O1 ZINC001467647761 1068045051 /nfs/dbraw/zinc/04/50/51/1068045051.db2.gz WUMDURRHMSEBLZ-GOSISDBHSA-N 1 2 451.593 1.324 20 0 JDADLO Cc1cccc(N2CC[NH+](CCCNC(=O)NCCS(=O)(=O)C3CCOCC3)CC2)c1 ZINC001467648628 1068045294 /nfs/dbraw/zinc/04/52/94/1068045294.db2.gz UNTXODDDXCYTPQ-UHFFFAOYSA-N 1 2 452.621 1.400 20 0 JDADLO CCn1cc([C@H]2C[S@](=O)CCN2C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001467668959 1068049585 /nfs/dbraw/zinc/04/95/85/1068049585.db2.gz WBFPEOHWOMDZSB-AYLZSAKASA-N 1 2 458.588 1.059 20 0 JDADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC001467680813 1068051019 /nfs/dbraw/zinc/05/10/19/1068051019.db2.gz OOPABQQHMJZVQB-WBVHZDCISA-N 1 2 459.996 1.590 20 0 JDADLO O=C(N[C@H]1CSc2ccc(Br)cc21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001467736213 1068059057 /nfs/dbraw/zinc/05/90/57/1068059057.db2.gz XJIDUUOQNPPTCC-CJNGLKHVSA-N 1 2 454.390 1.893 20 0 JDADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)c2ccc(Cl)cc2)C1 ZINC001467779047 1068065159 /nfs/dbraw/zinc/06/51/59/1068065159.db2.gz YBVUHIMLZNLEQV-RBUKOAKNSA-N 1 2 452.964 1.859 20 0 JDADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)c2ccc(Cl)cc2)C1 ZINC001467779047 1068065177 /nfs/dbraw/zinc/06/51/77/1068065177.db2.gz YBVUHIMLZNLEQV-RBUKOAKNSA-N 1 2 452.964 1.859 20 0 JDADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)c2ccc(Cl)cc2)C1 ZINC001467779044 1068065250 /nfs/dbraw/zinc/06/52/50/1068065250.db2.gz YBVUHIMLZNLEQV-MOPGFXCFSA-N 1 2 452.964 1.859 20 0 JDADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)c2ccc(Cl)cc2)C1 ZINC001467779044 1068065263 /nfs/dbraw/zinc/06/52/63/1068065263.db2.gz YBVUHIMLZNLEQV-MOPGFXCFSA-N 1 2 452.964 1.859 20 0 JDADLO CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1 ZINC001467818169 1068069270 /nfs/dbraw/zinc/06/92/70/1068069270.db2.gz DQRHKVRZERGNQQ-QFIPXVFZSA-N 1 2 459.616 1.351 20 0 JDADLO CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC001467818169 1068069288 /nfs/dbraw/zinc/06/92/88/1068069288.db2.gz DQRHKVRZERGNQQ-QFIPXVFZSA-N 1 2 459.616 1.351 20 0 JDADLO COc1ccc(CN2CC[C@@H](NC(=O)[C@@]3([NH+](C)C)COc4ccccc4C3)C2=O)c(OC)c1 ZINC001467852539 1068076504 /nfs/dbraw/zinc/07/65/04/1068076504.db2.gz UEZHIBCTTSTRLL-NLFFAJNJSA-N 1 2 453.539 1.856 20 0 JDADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001467879086 1068083136 /nfs/dbraw/zinc/08/31/36/1068083136.db2.gz IULTUMLVLYZNNB-QZTJIDSGSA-N 1 2 458.625 1.202 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3COCCN3CC(F)(F)F)C2)CC1 ZINC001467880041 1068083548 /nfs/dbraw/zinc/08/35/48/1068083548.db2.gz OJTHXKJAJNEZOO-HOTGVXAUSA-N 1 2 450.502 1.403 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(-n4cncn4)nc3)C2)CC1 ZINC001467887849 1068084945 /nfs/dbraw/zinc/08/49/45/1068084945.db2.gz ABBRAGAWEMKVGY-SFHVURJKSA-N 1 2 456.551 1.499 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(-n4cncn4)nc3)C2)CC1 ZINC001467887844 1068084977 /nfs/dbraw/zinc/08/49/77/1068084977.db2.gz ABBRAGAWEMKVGY-GOSISDBHSA-N 1 2 456.551 1.499 20 0 JDADLO CCOc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1OC ZINC001467900340 1068087385 /nfs/dbraw/zinc/08/73/85/1068087385.db2.gz CMTHHMZSISYFNR-KRWDZBQOSA-N 1 2 455.559 1.670 20 0 JDADLO Cc1ccc([C@H](C)[C@@H](O)C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467900921 1068087777 /nfs/dbraw/zinc/08/77/77/1068087777.db2.gz KYKXTUOYNNAYNI-YCRNBWNJSA-N 1 2 453.587 1.422 20 0 JDADLO C=CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467900936 1068088660 /nfs/dbraw/zinc/08/86/60/1068088660.db2.gz LEDUMIGILHBHRD-QGZVFWFLSA-N 1 2 450.543 1.388 20 0 JDADLO CO[C@](C)(C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1ccccc1F ZINC001467900945 1068088812 /nfs/dbraw/zinc/08/88/12/1068088812.db2.gz LHHTWGMWPOOEBB-OSPHWJPCSA-N 1 2 457.550 1.650 20 0 JDADLO CC[C@](O)(CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1ccccc1 ZINC001467901909 1068089602 /nfs/dbraw/zinc/08/96/02/1068089602.db2.gz YOLMYLASKJGZOG-DFBJGRDBSA-N 1 2 453.587 1.637 20 0 JDADLO CC[C@](O)(CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1ccccc1 ZINC001467901908 1068089876 /nfs/dbraw/zinc/08/98/76/1068089876.db2.gz YOLMYLASKJGZOG-CLOONOSVSA-N 1 2 453.587 1.637 20 0 JDADLO CC(C)CN1C[C@H]2CN(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)CCN2C1=O ZINC001467904490 1068090975 /nfs/dbraw/zinc/09/09/75/1068090975.db2.gz KEXUOOOQGKWQPD-OAQYLSRUSA-N 1 2 456.591 1.877 20 0 JDADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001467929120 1068096031 /nfs/dbraw/zinc/09/60/31/1068096031.db2.gz GFMZQZIYSIMHMO-KBPBESRZSA-N 1 2 451.467 1.185 20 0 JDADLO CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001467966985 1068124245 /nfs/dbraw/zinc/12/42/45/1068124245.db2.gz BMFJJUNHPGHZTK-HXUWFJFHSA-N 1 2 450.580 1.888 20 0 JDADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC001467991685 1068133813 /nfs/dbraw/zinc/13/38/13/1068133813.db2.gz XUWGURMEELMVQJ-ZWKOTPCHSA-N 1 2 451.568 1.625 20 0 JDADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC001467991685 1068133848 /nfs/dbraw/zinc/13/38/48/1068133848.db2.gz XUWGURMEELMVQJ-ZWKOTPCHSA-N 1 2 451.568 1.625 20 0 JDADLO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001468228377 1068209697 /nfs/dbraw/zinc/20/96/97/1068209697.db2.gz LLUANFDUJHDMFV-UHFFFAOYSA-N 1 2 452.490 1.585 20 0 JDADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC001468233350 1068210230 /nfs/dbraw/zinc/21/02/30/1068210230.db2.gz BBQCZWLBURIMHF-LZQZEXGQSA-N 1 2 457.365 1.829 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CO1 ZINC001468286514 1068224494 /nfs/dbraw/zinc/22/44/94/1068224494.db2.gz LTNPDLKKQDAJJJ-GOSISDBHSA-N 1 2 450.536 1.748 20 0 JDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001468306429 1068236051 /nfs/dbraw/zinc/23/60/51/1068236051.db2.gz BVKLWYUVCZCINW-OAQYLSRUSA-N 1 2 459.568 1.867 20 0 JDADLO O=C(CCNC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468362531 1068254724 /nfs/dbraw/zinc/25/47/24/1068254724.db2.gz CFDIXKMBUJXRMV-NRFANRHFSA-N 1 2 459.591 1.880 20 0 JDADLO C[C@@](O)(C1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)C(F)(F)F ZINC001468362823 1068255274 /nfs/dbraw/zinc/25/52/74/1068255274.db2.gz DXFOZCRXFQWANK-HXUWFJFHSA-N 1 2 457.497 1.855 20 0 JDADLO CS(=O)(=O)CC1CCC(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001468363527 1068256098 /nfs/dbraw/zinc/25/60/98/1068256098.db2.gz NMTMYQMXRXGKHF-UHFFFAOYSA-N 1 2 451.593 1.023 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001468363736 1068257200 /nfs/dbraw/zinc/25/72/00/1068257200.db2.gz QEKKXNMQHOZXLW-RBUKOAKNSA-N 1 2 472.590 1.771 20 0 JDADLO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001468364136 1068258587 /nfs/dbraw/zinc/25/85/87/1068258587.db2.gz ZWLGNMJSJPTCAD-FQEVSTJZSA-N 1 2 452.559 1.119 20 0 JDADLO CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)NCCc3ccc(OCC[NH+]4CCN(C(C)=O)CC4)cc3)C[C@@H]21 ZINC001468549853 1068311874 /nfs/dbraw/zinc/31/18/74/1068311874.db2.gz UTCPRIMBJSSKQW-TZRRMPRUSA-N 1 2 486.613 1.613 20 0 JDADLO Cc1cccc(C(=O)NC2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)c1 ZINC001468635913 1068329221 /nfs/dbraw/zinc/32/92/21/1068329221.db2.gz HDQHZAKXUHLJIR-UHFFFAOYSA-N 1 2 450.605 1.408 20 0 JDADLO CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001468636110 1068329916 /nfs/dbraw/zinc/32/99/16/1068329916.db2.gz KSEFCKAFEOZYRQ-HNNXBMFYSA-N 1 2 458.654 1.546 20 0 JDADLO CC(C)[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1nc(-c2ccncc2)no1 ZINC001468636464 1068330080 /nfs/dbraw/zinc/33/00/80/1068330080.db2.gz PFPCZYHMZJZREH-QGZVFWFLSA-N 1 2 450.565 1.637 20 0 JDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCO[C@H](C(F)(F)F)CC1 ZINC001468663175 1068338617 /nfs/dbraw/zinc/33/86/17/1068338617.db2.gz DKTUPEMOZPAOSA-HOTGVXAUSA-N 1 2 458.485 1.645 20 0 JDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCO[C@H](C(F)(F)F)CC1 ZINC001468663175 1068338634 /nfs/dbraw/zinc/33/86/34/1068338634.db2.gz DKTUPEMOZPAOSA-HOTGVXAUSA-N 1 2 458.485 1.645 20 0 JDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC001468664390 1068340219 /nfs/dbraw/zinc/34/02/19/1068340219.db2.gz ZZILARFQSWQSDT-KXBFYZLASA-N 1 2 458.485 1.238 20 0 JDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC001468664390 1068340239 /nfs/dbraw/zinc/34/02/39/1068340239.db2.gz ZZILARFQSWQSDT-KXBFYZLASA-N 1 2 458.485 1.238 20 0 JDADLO COC(=O)[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001468682633 1068347376 /nfs/dbraw/zinc/34/73/76/1068347376.db2.gz BABJCBZCTMVJJY-ZACQAIPSSA-N 1 2 454.568 1.147 20 0 JDADLO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001468682630 1068347474 /nfs/dbraw/zinc/34/74/74/1068347474.db2.gz BABJCBZCTMVJJY-ULQDDVLXSA-N 1 2 454.568 1.147 20 0 JDADLO C[C@@H](C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001468699728 1068349798 /nfs/dbraw/zinc/34/97/98/1068349798.db2.gz XTRVDKIQTQCXNR-ROUUACIJSA-N 1 2 452.596 1.657 20 0 JDADLO Cn1c2ccccc2n(CCC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1=O ZINC001468713848 1068351875 /nfs/dbraw/zinc/35/18/75/1068351875.db2.gz YCFBOVUWLBSQIG-GOSISDBHSA-N 1 2 457.575 1.884 20 0 JDADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC001468713890 1068351978 /nfs/dbraw/zinc/35/19/78/1068351978.db2.gz YPHUFGSIPZFWFG-FQEVSTJZSA-N 1 2 456.572 1.988 20 0 JDADLO O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001468715476 1068353846 /nfs/dbraw/zinc/35/38/46/1068353846.db2.gz CEPJSHRUYMFXKW-AZUAARDMSA-N 1 2 450.580 1.217 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)cc1 ZINC001468717757 1068354515 /nfs/dbraw/zinc/35/45/15/1068354515.db2.gz IYRHLEDYNDGKTF-RTWAWAEBSA-N 1 2 451.571 1.873 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)cc1 ZINC001468717757 1068354531 /nfs/dbraw/zinc/35/45/31/1068354531.db2.gz IYRHLEDYNDGKTF-RTWAWAEBSA-N 1 2 451.571 1.873 20 0 JDADLO O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC001468917553 1068392825 /nfs/dbraw/zinc/39/28/25/1068392825.db2.gz OTKMZJDRIUSHKA-UHFFFAOYSA-N 1 2 456.634 1.549 20 0 JDADLO CC(C)(C)OC(=O)NCCN(CCO)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001468935562 1068396672 /nfs/dbraw/zinc/39/66/72/1068396672.db2.gz WIEUDSLZUVRYBL-FQEVSTJZSA-N 1 2 450.580 1.459 20 0 JDADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 ZINC001468935664 1068396852 /nfs/dbraw/zinc/39/68/52/1068396852.db2.gz XCXUZYKUAIGQOT-IBGZPJMESA-N 1 2 451.520 1.593 20 0 JDADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 ZINC001468935664 1068396869 /nfs/dbraw/zinc/39/68/69/1068396869.db2.gz XCXUZYKUAIGQOT-IBGZPJMESA-N 1 2 451.520 1.593 20 0 JDADLO COc1ccc(-c2n[nH]c(CNC(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)n2)cc1 ZINC001468943674 1068398692 /nfs/dbraw/zinc/39/86/92/1068398692.db2.gz YYSPCZQHBSNWCJ-UHFFFAOYSA-N 1 2 457.579 1.906 20 0 JDADLO COc1ccc(-c2nnc(CNC(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)[nH]2)cc1 ZINC001468943674 1068398710 /nfs/dbraw/zinc/39/87/10/1068398710.db2.gz YYSPCZQHBSNWCJ-UHFFFAOYSA-N 1 2 457.579 1.906 20 0 JDADLO Cc1cc(N2CC[C@@H](NC(=O)N(Cc3ccccc3)[C@@H](C)C[NH+]3CCOCC3)C2=O)n(C)n1 ZINC001469093119 1068439983 /nfs/dbraw/zinc/43/99/83/1068439983.db2.gz OVSIEFQWQGXOKT-PZJWPPBQSA-N 1 2 454.575 1.766 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC001469137337 1068449371 /nfs/dbraw/zinc/44/93/71/1068449371.db2.gz VBXKXSGVFFIXTB-RUZDIDTESA-N 1 2 458.603 1.383 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC001469137337 1068449384 /nfs/dbraw/zinc/44/93/84/1068449384.db2.gz VBXKXSGVFFIXTB-RUZDIDTESA-N 1 2 458.603 1.383 20 0 JDADLO CC[C@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C(=O)N1CCOCC1 ZINC001469163431 1068455634 /nfs/dbraw/zinc/45/56/34/1068455634.db2.gz BXECTYHIYHJNBH-INIZCTEOSA-N 1 2 452.353 1.884 20 0 JDADLO CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001469346627 1068499928 /nfs/dbraw/zinc/49/99/28/1068499928.db2.gz SHFDFAXVETVSRX-HNAYVOBHSA-N 1 2 452.602 1.813 20 0 JDADLO O=C(NC1CCN(C(=O)c2ccncc2)CC1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001469359430 1068502732 /nfs/dbraw/zinc/50/27/32/1068502732.db2.gz UZRWZLMKMSZKQD-NRFANRHFSA-N 1 2 452.559 1.833 20 0 JDADLO O=C(NC1CCN(C(=O)c2ccncc2)CC1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001469359430 1068502742 /nfs/dbraw/zinc/50/27/42/1068502742.db2.gz UZRWZLMKMSZKQD-NRFANRHFSA-N 1 2 452.559 1.833 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)CC1 ZINC001469674810 1068565670 /nfs/dbraw/zinc/56/56/70/1068565670.db2.gz RSVIPLISDSPUOW-KRWDZBQOSA-N 1 2 451.568 1.664 20 0 JDADLO CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CC[NH+](CCOCCOC)CC2)cc1 ZINC001469675462 1068565792 /nfs/dbraw/zinc/56/57/92/1068565792.db2.gz WZPOYUMRVXUHFG-FQEVSTJZSA-N 1 2 451.589 1.408 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001469686314 1068567539 /nfs/dbraw/zinc/56/75/39/1068567539.db2.gz URPINEUMRJEGFY-DYESRHJHSA-N 1 2 454.930 1.499 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001469686314 1068567557 /nfs/dbraw/zinc/56/75/57/1068567557.db2.gz URPINEUMRJEGFY-DYESRHJHSA-N 1 2 454.930 1.499 20 0 JDADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)[nH+]c12 ZINC001469748087 1068580113 /nfs/dbraw/zinc/58/01/13/1068580113.db2.gz XXFQHFCVOMNRTD-ZDUSSCGKSA-N 1 2 458.382 1.528 20 0 JDADLO O=C(NCCN1CCNC(=O)C1)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001469754537 1068582107 /nfs/dbraw/zinc/58/21/07/1068582107.db2.gz UGKJKLUWGZEYJZ-UHFFFAOYSA-N 1 2 451.571 1.525 20 0 JDADLO Cn1nccc1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C(=O)OC(C)(C)C ZINC001469770968 1068585747 /nfs/dbraw/zinc/58/57/47/1068585747.db2.gz NSIQOGJKNPDJRK-HKUYNNGSSA-N 1 2 458.563 1.950 20 0 JDADLO Cn1nccc1[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C(=O)OC(C)(C)C ZINC001469770968 1068585764 /nfs/dbraw/zinc/58/57/64/1068585764.db2.gz NSIQOGJKNPDJRK-HKUYNNGSSA-N 1 2 458.563 1.950 20 0 JDADLO Cn1nccc1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C(=O)OC(C)(C)C ZINC001469770970 1068585975 /nfs/dbraw/zinc/58/59/75/1068585975.db2.gz NSIQOGJKNPDJRK-PKOBYXMFSA-N 1 2 458.563 1.950 20 0 JDADLO Cn1nccc1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C(=O)OC(C)(C)C ZINC001469770970 1068585995 /nfs/dbraw/zinc/58/59/95/1068585995.db2.gz NSIQOGJKNPDJRK-PKOBYXMFSA-N 1 2 458.563 1.950 20 0 JDADLO Cn1nccc1[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001469770990 1068586169 /nfs/dbraw/zinc/58/61/69/1068586169.db2.gz NWLSEEPQSDPZRA-OAQYLSRUSA-N 1 2 456.547 1.443 20 0 JDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001470002017 1068662822 /nfs/dbraw/zinc/66/28/22/1068662822.db2.gz ILBIDBSZKOOYCY-SJORKVTESA-N 1 2 458.600 1.974 20 0 JDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001470002017 1068662848 /nfs/dbraw/zinc/66/28/48/1068662848.db2.gz ILBIDBSZKOOYCY-SJORKVTESA-N 1 2 458.600 1.974 20 0 JDADLO CCOC1CC(CNC(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)([NH+]2CCOCC2)C1 ZINC001470012890 1068665737 /nfs/dbraw/zinc/66/57/37/1068665737.db2.gz MUNNCQPAADPIRJ-QJLFFNEXSA-N 1 2 453.605 1.852 20 0 JDADLO CCOC1CC(CNC(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)([NH+]2CCOCC2)C1 ZINC001470012887 1068665976 /nfs/dbraw/zinc/66/59/76/1068665976.db2.gz MUNNCQPAADPIRJ-CTDOOQEKSA-N 1 2 453.605 1.852 20 0 JDADLO CCOC1CC(CNC(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)([NH+]2CCOCC2)C1 ZINC001470013050 1068666167 /nfs/dbraw/zinc/66/61/67/1068666167.db2.gz PNKPCCKCVBVPTO-YPHUNTSASA-N 1 2 459.509 1.824 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001470224821 1068727246 /nfs/dbraw/zinc/72/72/46/1068727246.db2.gz DTLXBWUTSITJGV-NLFFAJNJSA-N 1 2 459.587 1.426 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001470224821 1068727258 /nfs/dbraw/zinc/72/72/58/1068727258.db2.gz DTLXBWUTSITJGV-NLFFAJNJSA-N 1 2 459.587 1.426 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001470226496 1068727982 /nfs/dbraw/zinc/72/79/82/1068727982.db2.gz SHEAMBQQWBMZKT-HSZRJFAPSA-N 1 2 459.568 1.833 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001470226496 1068728005 /nfs/dbraw/zinc/72/80/05/1068728005.db2.gz SHEAMBQQWBMZKT-HSZRJFAPSA-N 1 2 459.568 1.833 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001470226227 1068728610 /nfs/dbraw/zinc/72/86/10/1068728610.db2.gz QCYKUTYFYDKHBT-OXQOHEQNSA-N 1 2 453.333 1.263 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001470226227 1068728621 /nfs/dbraw/zinc/72/86/21/1068728621.db2.gz QCYKUTYFYDKHBT-OXQOHEQNSA-N 1 2 453.333 1.263 20 0 JDADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1C ZINC001470531895 1068778004 /nfs/dbraw/zinc/77/80/04/1068778004.db2.gz PGLIHHBXIDXDPN-QFIPXVFZSA-N 1 2 458.628 1.856 20 0 JDADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1C ZINC001470531895 1068778028 /nfs/dbraw/zinc/77/80/28/1068778028.db2.gz PGLIHHBXIDXDPN-QFIPXVFZSA-N 1 2 458.628 1.856 20 0 JDADLO CC(C)C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)C(=O)N1CCOCC1 ZINC001470613302 1068793865 /nfs/dbraw/zinc/79/38/65/1068793865.db2.gz CNUIUUOKBQSCGE-ROUUACIJSA-N 1 2 455.600 1.110 20 0 JDADLO CC(C)C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)C(=O)N1CCOCC1 ZINC001470613302 1068793885 /nfs/dbraw/zinc/79/38/85/1068793885.db2.gz CNUIUUOKBQSCGE-ROUUACIJSA-N 1 2 455.600 1.110 20 0 JDADLO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001470687665 1068802400 /nfs/dbraw/zinc/80/24/00/1068802400.db2.gz YWTQEPJDDQBCGF-HNNXBMFYSA-N 1 2 456.469 1.252 20 0 JDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)c1 ZINC001470704379 1068804342 /nfs/dbraw/zinc/80/43/42/1068804342.db2.gz BHPVQNZACDHJAU-SFHVURJKSA-N 1 2 450.536 1.482 20 0 JDADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)c1 ZINC001470704379 1068804343 /nfs/dbraw/zinc/80/43/43/1068804343.db2.gz BHPVQNZACDHJAU-SFHVURJKSA-N 1 2 450.536 1.482 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCCn2c[nH+]cc2-c2ccccc2)C1 ZINC001470717155 1068804871 /nfs/dbraw/zinc/80/48/71/1068804871.db2.gz TYWMXLRLQGJNKA-WZONZLPQSA-N 1 2 474.583 1.948 20 0 JDADLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001470723864 1068805228 /nfs/dbraw/zinc/80/52/28/1068805228.db2.gz OMZUKDUPFSTDCH-SUMWQHHRSA-N 1 2 456.615 1.040 20 0 JDADLO CCOC(=O)[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H](O)c1ccncc1 ZINC001470813604 1068812533 /nfs/dbraw/zinc/81/25/33/1068812533.db2.gz RJNGEJRTCRECHV-OALUTQOASA-N 1 2 450.536 1.152 20 0 JDADLO Cn1cc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCc4cccs4)cc3)CC[NH2+]2)cn1 ZINC001470879975 1068820286 /nfs/dbraw/zinc/82/02/86/1068820286.db2.gz LSTTYGYPILAEFQ-FQEVSTJZSA-N 1 2 459.597 1.789 20 0 JDADLO Cn1cc([C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)CC[NH2+]2)cn1 ZINC001470881887 1068820361 /nfs/dbraw/zinc/82/03/61/1068820361.db2.gz ZSCJLGZOJICXLD-GOSISDBHSA-N 1 2 453.515 1.272 20 0 JDADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC001471103380 1068835579 /nfs/dbraw/zinc/83/55/79/1068835579.db2.gz GVKINPDRUPJLJV-UHFFFAOYSA-N 1 2 451.612 1.132 20 0 JDADLO CCOc1ccc(N2CCN(C(=O)NC[C@H]3C[N@H+](Cc4ccc(C)cc4)CCO3)CC2)nn1 ZINC001471108783 1068836278 /nfs/dbraw/zinc/83/62/78/1068836278.db2.gz DMOZCWORKPDBFL-NRFANRHFSA-N 1 2 454.575 1.916 20 0 JDADLO CCOc1ccc(N2CCN(C(=O)NC[C@H]3C[N@@H+](Cc4ccc(C)cc4)CCO3)CC2)nn1 ZINC001471108783 1068836279 /nfs/dbraw/zinc/83/62/79/1068836279.db2.gz DMOZCWORKPDBFL-NRFANRHFSA-N 1 2 454.575 1.916 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC001471172816 1068840084 /nfs/dbraw/zinc/84/00/84/1068840084.db2.gz LULBNDXSLINQBH-VLIAUNLRSA-N 1 2 454.365 1.668 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC001471172816 1068840088 /nfs/dbraw/zinc/84/00/88/1068840088.db2.gz LULBNDXSLINQBH-VLIAUNLRSA-N 1 2 454.365 1.668 20 0 JDADLO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001471229896 1068844664 /nfs/dbraw/zinc/84/46/64/1068844664.db2.gz DXSPPJGBUGJKQT-HKUYNNGSSA-N 1 2 452.596 1.319 20 0 JDADLO 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CC(=O)NC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001508343292 1073098240 /nfs/dbraw/zinc/09/82/40/1073098240.db2.gz UGFTTZOQEMLKAI-QGZVFWFLSA-N 1 2 460.554 1.822 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001508352596 1073113923 /nfs/dbraw/zinc/11/39/23/1073113923.db2.gz MLKFJRQBYOZBLC-IPMKNSEASA-N 1 2 494.687 1.897 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001508352593 1073114087 /nfs/dbraw/zinc/11/40/87/1073114087.db2.gz MLKFJRQBYOZBLC-GBESFXJTSA-N 1 2 494.687 1.897 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC001508372021 1073145962 /nfs/dbraw/zinc/14/59/62/1073145962.db2.gz BXQOJRRQAHPHEL-FGZHOGPDSA-N 1 2 456.591 1.644 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC001508372021 1073145965 /nfs/dbraw/zinc/14/59/65/1073145965.db2.gz BXQOJRRQAHPHEL-FGZHOGPDSA-N 1 2 456.591 1.644 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001508373065 1073150028 /nfs/dbraw/zinc/15/00/28/1073150028.db2.gz IVWHMWCUDITMSG-KGVIQGDOSA-N 1 2 490.580 1.619 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001508373062 1073150112 /nfs/dbraw/zinc/15/01/12/1073150112.db2.gz IVWHMWCUDITMSG-JBYIUTFZSA-N 1 2 490.580 1.619 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001508373068 1073151170 /nfs/dbraw/zinc/15/11/70/1073151170.db2.gz IVWHMWCUDITMSG-NJNPRVFISA-N 1 2 490.580 1.619 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001508383955 1073185487 /nfs/dbraw/zinc/18/54/87/1073185487.db2.gz VLHRNZOMGPDGRA-LJQANCHMSA-N 1 2 470.603 1.872 20 0 JDADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001508407963 1073216619 /nfs/dbraw/zinc/21/66/19/1073216619.db2.gz IYTFNYHWLDMLHD-PXNSSMCTSA-N 1 2 462.620 1.707 20 0 JDADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001508407963 1073216632 /nfs/dbraw/zinc/21/66/32/1073216632.db2.gz IYTFNYHWLDMLHD-PXNSSMCTSA-N 1 2 462.620 1.707 20 0 JDADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001508407974 1073216701 /nfs/dbraw/zinc/21/67/01/1073216701.db2.gz IYTFNYHWLDMLHD-YLJYHZDGSA-N 1 2 462.620 1.707 20 0 JDADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001508407974 1073216708 /nfs/dbraw/zinc/21/67/08/1073216708.db2.gz IYTFNYHWLDMLHD-YLJYHZDGSA-N 1 2 462.620 1.707 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)Br)CC1 ZINC001508431273 1073226849 /nfs/dbraw/zinc/22/68/49/1073226849.db2.gz FPQQXYBWVIPZRJ-HUUCEWRRSA-N 1 2 491.381 1.903 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N(C)C)CC1 ZINC001508431921 1073227648 /nfs/dbraw/zinc/22/76/48/1073227648.db2.gz GJGJJLIAPIRBAX-KRWDZBQOSA-N 1 2 489.571 1.368 20 0 JDADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCSCC(F)(F)F)CC1 ZINC001508431986 1073227887 /nfs/dbraw/zinc/22/78/87/1073227887.db2.gz GOQRTULVCFVBDJ-AWEZNQCLSA-N 1 2 484.552 1.820 20 0 JDADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCSCC(F)(F)F)CC1 ZINC001508431991 1073227935 /nfs/dbraw/zinc/22/79/35/1073227935.db2.gz GOQRTULVCFVBDJ-CQSZACIVSA-N 1 2 484.552 1.820 20 0 JDADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001508434824 1073234014 /nfs/dbraw/zinc/23/40/14/1073234014.db2.gz UQLKHLBAVQGFDE-QGZVFWFLSA-N 1 2 499.620 1.391 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cccnc3)n2CCOCC(F)F)CC1 ZINC001508437494 1073237244 /nfs/dbraw/zinc/23/72/44/1073237244.db2.gz YEUAYFNGCAEUCI-KRWDZBQOSA-N 1 2 463.533 1.755 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CC=CCC1 ZINC001508440402 1073242896 /nfs/dbraw/zinc/24/28/96/1073242896.db2.gz DUQMBOOHZNJQKH-CVEARBPZSA-N 1 2 464.592 1.526 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CC=CCC1 ZINC001508440402 1073242907 /nfs/dbraw/zinc/24/29/07/1073242907.db2.gz DUQMBOOHZNJQKH-CVEARBPZSA-N 1 2 464.592 1.526 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001508442353 1073246366 /nfs/dbraw/zinc/24/63/66/1073246366.db2.gz NSWOBAGQEMMAKX-SQNIBIBYSA-N 1 2 475.681 1.314 20 0 JDADLO C[C@H]([C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1)S(C)(=O)=O ZINC001508447472 1073252141 /nfs/dbraw/zinc/25/21/41/1073252141.db2.gz WGLRAUVEUGKAFF-RBUKOAKNSA-N 1 2 499.641 1.802 20 0 JDADLO CC(C)(C)C(=O)NCCn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001508463176 1073260196 /nfs/dbraw/zinc/26/01/96/1073260196.db2.gz AGEUEESFNKKVDH-UHFFFAOYSA-N 1 2 485.608 1.991 20 0 JDADLO CC(C)(C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508497652 1073267640 /nfs/dbraw/zinc/26/76/40/1073267640.db2.gz HYFJJTBXUXILAB-UHFFFAOYSA-N 1 2 462.620 1.869 20 0 JDADLO CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001508586864 1073282257 /nfs/dbraw/zinc/28/22/57/1073282257.db2.gz VHBFGRGWHIPXTB-UHFFFAOYSA-N 1 2 484.649 1.745 20 0 JDADLO CC(C)(C)Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCOCCS(C)(=O)=O ZINC001508600173 1073284348 /nfs/dbraw/zinc/28/43/48/1073284348.db2.gz UHROZSHGXKDKKO-UHFFFAOYSA-N 1 2 450.609 1.650 20 0 JDADLO CC(C)(C)[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001508699863 1073342083 /nfs/dbraw/zinc/34/20/83/1073342083.db2.gz GQVHGXVEBJMPLN-HYHKQLJDSA-N 1 2 466.652 1.106 20 0 JDADLO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001508701678 1073343600 /nfs/dbraw/zinc/34/36/00/1073343600.db2.gz VWGWUDRYGYDLMP-NMWVFERUSA-N 1 2 494.706 1.854 20 0 JDADLO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001508701678 1073343608 /nfs/dbraw/zinc/34/36/08/1073343608.db2.gz VWGWUDRYGYDLMP-NMWVFERUSA-N 1 2 494.706 1.854 20 0 JDADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001508775309 1073370196 /nfs/dbraw/zinc/37/01/96/1073370196.db2.gz XLZRNALLMHCGMW-RTWAWAEBSA-N 1 2 489.665 1.612 20 0 JDADLO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)CC1 ZINC001508791326 1073377867 /nfs/dbraw/zinc/37/78/67/1073377867.db2.gz MTLFIJIRFAGOID-SFHVURJKSA-N 1 2 489.646 1.818 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001508803784 1073387533 /nfs/dbraw/zinc/38/75/33/1073387533.db2.gz BYYJXZQIOROHQB-UHFFFAOYSA-N 1 2 465.562 1.643 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001508809378 1073389273 /nfs/dbraw/zinc/38/92/73/1073389273.db2.gz BMAFGYPSHJMUSN-WIYYLYMNSA-N 1 2 472.590 1.720 20 0 JDADLO CC(C)C(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001508821618 1073397517 /nfs/dbraw/zinc/39/75/17/1073397517.db2.gz NMTPWZOWKHJOKL-FQEVSTJZSA-N 1 2 458.563 1.331 20 0 JDADLO CC(C)C(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001508821620 1073397566 /nfs/dbraw/zinc/39/75/66/1073397566.db2.gz NMTPWZOWKHJOKL-HXUWFJFHSA-N 1 2 458.563 1.331 20 0 JDADLO CC(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508826023 1073402217 /nfs/dbraw/zinc/40/22/17/1073402217.db2.gz PMBHFRMVIBWXPT-WOJBJXKFSA-N 1 2 475.638 1.425 20 0 JDADLO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCS(=O)CC1)[NH+]1CCOCC1 ZINC001508871604 1073431698 /nfs/dbraw/zinc/43/16/98/1073431698.db2.gz DYSLCLXTVVKVJB-IBGZPJMESA-N 1 2 465.595 1.922 20 0 JDADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001508908692 1073447132 /nfs/dbraw/zinc/44/71/32/1073447132.db2.gz RTSFQZSYCSDWTF-SFHVURJKSA-N 1 2 497.687 1.912 20 0 JDADLO CC(C)c1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001508974138 1073457950 /nfs/dbraw/zinc/45/79/50/1073457950.db2.gz CISPGOVUGKHNJH-QUCCMNQESA-N 1 2 468.668 1.953 20 0 JDADLO CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001508974134 1073458460 /nfs/dbraw/zinc/45/84/60/1073458460.db2.gz CISPGOVUGKHNJH-AZUAARDMSA-N 1 2 468.668 1.953 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001546312180 1073459439 /nfs/dbraw/zinc/45/94/39/1073459439.db2.gz MVXBLDMWLJHXNZ-IBGZPJMESA-N 1 2 471.606 1.602 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001546312181 1073459604 /nfs/dbraw/zinc/45/96/04/1073459604.db2.gz MVXBLDMWLJHXNZ-LJQANCHMSA-N 1 2 471.606 1.602 20 0 JDADLO CC(C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001509005823 1073473855 /nfs/dbraw/zinc/47/38/55/1073473855.db2.gz YWHAPVSTGNKQOM-FPOVZHCZSA-N 1 2 455.607 1.471 20 0 JDADLO CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001509013718 1073476635 /nfs/dbraw/zinc/47/66/35/1073476635.db2.gz SUWZPXAOIIJJPF-PSTIOWGYSA-N 1 2 461.632 1.875 20 0 JDADLO CC(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001509014483 1073478295 /nfs/dbraw/zinc/47/82/95/1073478295.db2.gz OSHDSUNPYPTHAR-GOSISDBHSA-N 1 2 483.557 1.042 20 0 JDADLO CC(C)Cc1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1CCCC(=O)N(C)C ZINC001509212057 1073534190 /nfs/dbraw/zinc/53/41/90/1073534190.db2.gz UDBKUBOHUIVGKU-UHFFFAOYSA-N 1 2 454.583 1.348 20 0 JDADLO CC(C)Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001509219639 1073539314 /nfs/dbraw/zinc/53/93/14/1073539314.db2.gz UKBIFUDYVXPRTR-DNVJHFABSA-N 1 2 489.709 1.824 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)[C@H](C)C1=O ZINC001509402411 1073576373 /nfs/dbraw/zinc/57/63/73/1073576373.db2.gz IMEXBLHSYOKJFP-GOSISDBHSA-N 1 2 463.627 1.220 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)[C@H](C)C1=O ZINC001509402411 1073576377 /nfs/dbraw/zinc/57/63/77/1073576377.db2.gz IMEXBLHSYOKJFP-GOSISDBHSA-N 1 2 463.627 1.220 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001509440116 1073621523 /nfs/dbraw/zinc/62/15/23/1073621523.db2.gz FDJGLDIFRBBLPX-SFHVURJKSA-N 1 2 455.650 1.768 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001509440116 1073621527 /nfs/dbraw/zinc/62/15/27/1073621527.db2.gz FDJGLDIFRBBLPX-SFHVURJKSA-N 1 2 455.650 1.768 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509443349 1073625272 /nfs/dbraw/zinc/62/52/72/1073625272.db2.gz NOIGRGYHIQLTRV-SLFFLAALSA-N 1 2 469.652 1.542 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509443349 1073625276 /nfs/dbraw/zinc/62/52/76/1073625276.db2.gz NOIGRGYHIQLTRV-SLFFLAALSA-N 1 2 469.652 1.542 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001509443395 1073626311 /nfs/dbraw/zinc/62/63/11/1073626311.db2.gz OBMPCVSBYKDITR-OALUTQOASA-N 1 2 467.661 1.911 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001509443395 1073626333 /nfs/dbraw/zinc/62/63/33/1073626333.db2.gz OBMPCVSBYKDITR-OALUTQOASA-N 1 2 467.661 1.911 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001509447057 1073631932 /nfs/dbraw/zinc/63/19/32/1073631932.db2.gz YBLGEDSAFDBNCD-UYAOXDASSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001509447057 1073631936 /nfs/dbraw/zinc/63/19/36/1073631936.db2.gz YBLGEDSAFDBNCD-UYAOXDASSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)CO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001509459253 1073637960 /nfs/dbraw/zinc/63/79/60/1073637960.db2.gz OQIWQPDZSWADFQ-HXUWFJFHSA-N 1 2 471.606 1.948 20 0 JDADLO CC(C)CSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001509494330 1073649695 /nfs/dbraw/zinc/64/96/95/1073649695.db2.gz ZYHGNCYKWSAWFY-OALUTQOASA-N 1 2 477.679 1.751 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001509568264 1073689719 /nfs/dbraw/zinc/68/97/19/1073689719.db2.gz NZCFNKPIDSALMG-KRWDZBQOSA-N 1 2 498.650 1.004 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001509571730 1073690476 /nfs/dbraw/zinc/69/04/76/1073690476.db2.gz FCJYPRRFJSZLCA-UHFFFAOYSA-N 1 2 463.608 1.669 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001509572598 1073690501 /nfs/dbraw/zinc/69/05/01/1073690501.db2.gz XFOSXBZVOPULRN-MOPGFXCFSA-N 1 2 455.625 1.154 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CC1 ZINC001509570342 1073690552 /nfs/dbraw/zinc/69/05/52/1073690552.db2.gz RAHPBKSGFLBOMI-LJQANCHMSA-N 1 2 460.604 1.624 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001509571865 1073690831 /nfs/dbraw/zinc/69/08/31/1073690831.db2.gz GJNGAFNDOBNMDV-HXUWFJFHSA-N 1 2 498.447 1.788 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001509571861 1073691173 /nfs/dbraw/zinc/69/11/73/1073691173.db2.gz GJNGAFNDOBNMDV-FQEVSTJZSA-N 1 2 498.447 1.788 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001509575343 1073691674 /nfs/dbraw/zinc/69/16/74/1073691674.db2.gz SYBLIRAWFKQFSD-UHFFFAOYSA-N 1 2 495.671 1.846 20 0 JDADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccnc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001509577591 1073695924 /nfs/dbraw/zinc/69/59/24/1073695924.db2.gz OAGRGBDMJYRZIX-UHFFFAOYSA-N 1 2 477.573 1.411 20 0 JDADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(-c4cnccn4)n3C[C@](C)(O)C(C)C)CC2)C1 ZINC001509579811 1073701071 /nfs/dbraw/zinc/70/10/71/1073701071.db2.gz LIEQPOJGPRSYGO-RDPSFJRHSA-N 1 2 472.638 1.373 20 0 JDADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(CC4CCCC4)n3CCC(=O)N(C)C)CC2)C1 ZINC001509579900 1073701893 /nfs/dbraw/zinc/70/18/93/1073701893.db2.gz LMPATLMIRDRBEA-QFIPXVFZSA-N 1 2 475.682 1.720 20 0 JDADLO CC(C)N1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCOCCCO)C2)CC1 ZINC001509581492 1073703670 /nfs/dbraw/zinc/70/36/70/1073703670.db2.gz LHXQZWMUJAKMDY-HXUWFJFHSA-N 1 2 478.041 1.997 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCc1cn[nH]c1 ZINC001509589843 1073719627 /nfs/dbraw/zinc/71/96/27/1073719627.db2.gz MFFGFSGTIMWKEG-GOSISDBHSA-N 1 2 472.619 1.953 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001509592334 1073720454 /nfs/dbraw/zinc/72/04/54/1073720454.db2.gz GOUZEAMOVYKKLQ-UHFFFAOYSA-N 1 2 458.563 1.892 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001509592334 1073720470 /nfs/dbraw/zinc/72/04/70/1073720470.db2.gz GOUZEAMOVYKKLQ-UHFFFAOYSA-N 1 2 458.563 1.892 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cnn(C)c1 ZINC001509591555 1073720703 /nfs/dbraw/zinc/72/07/03/1073720703.db2.gz SBTZIXBFKCQDLL-SFHVURJKSA-N 1 2 472.619 1.769 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1([S@@](C)=O)CC1 ZINC001509593455 1073721268 /nfs/dbraw/zinc/72/12/68/1073721268.db2.gz YEWXGHVQIHPDRN-WJOKGBTCSA-N 1 2 454.641 1.122 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CCNC(=O)C(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001509606303 1073730303 /nfs/dbraw/zinc/73/03/03/1073730303.db2.gz GMRDKTANIJXZCL-UHFFFAOYSA-N 1 2 452.563 1.859 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCc1ccc(-n2cccn2)cc1 ZINC001509606340 1073730590 /nfs/dbraw/zinc/73/05/90/1073730590.db2.gz HGDPLFYXLJAKCY-UHFFFAOYSA-N 1 2 466.590 1.613 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(N(C)C)nc1 ZINC001509625707 1073748669 /nfs/dbraw/zinc/74/86/69/1073748669.db2.gz JIUXHHKMWXKBKC-HSZRJFAPSA-N 1 2 456.595 1.227 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(N(C)C)nc1 ZINC001509625708 1073748992 /nfs/dbraw/zinc/74/89/92/1073748992.db2.gz JIUXHHKMWXKBKC-QHCPKHFHSA-N 1 2 456.595 1.227 20 0 JDADLO O=C(NCCCn1cc[nH+]c1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003259686 562926882 /nfs/dbraw/zinc/92/68/82/562926882.db2.gz OOQCTFLZJJMJEW-UHFFFAOYSA-N 1 2 457.350 1.487 20 0 JDADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001474936070 1069309782 /nfs/dbraw/zinc/30/97/82/1069309782.db2.gz NKKVOIIHCXVOKS-SFHVURJKSA-N 1 2 458.422 1.778 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@H]5COC[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164388926 718818546 /nfs/dbraw/zinc/81/85/46/718818546.db2.gz RQAJBUCWUADDPL-ROUUACIJSA-N 1 2 458.632 1.748 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4C[C@H]5OCC(F)(F)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164423542 718927670 /nfs/dbraw/zinc/92/76/70/718927670.db2.gz INMPDQOIZJTAKM-FUHWJXTLSA-N 1 2 480.585 1.746 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3C(=O)NCc3ccccc3)CC2)C1=O ZINC001164635675 719269517 /nfs/dbraw/zinc/26/95/17/719269517.db2.gz SWLAYIWDFXEWPN-UHFFFAOYSA-N 1 2 451.571 1.771 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3C(=O)NCc3ccccc3)CC2)C1=O ZINC001164635675 719269520 /nfs/dbraw/zinc/26/95/20/719269520.db2.gz SWLAYIWDFXEWPN-UHFFFAOYSA-N 1 2 451.571 1.771 20 0 JDADLO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C)OCC ZINC001164638086 719274758 /nfs/dbraw/zinc/27/47/58/719274758.db2.gz CPYIOTSKPRSWJE-UHFFFAOYSA-N 1 2 470.014 1.831 20 0 JDADLO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C)OCC ZINC001164638086 719274763 /nfs/dbraw/zinc/27/47/63/719274763.db2.gz CPYIOTSKPRSWJE-UHFFFAOYSA-N 1 2 470.014 1.831 20 0 JDADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)nn2)C1 ZINC001164644510 719280375 /nfs/dbraw/zinc/28/03/75/719280375.db2.gz MNEGAGNSJQHKSJ-IBGZPJMESA-N 1 2 474.606 1.016 20 0 JDADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)nn2)C1 ZINC001164644510 719280380 /nfs/dbraw/zinc/28/03/80/719280380.db2.gz MNEGAGNSJQHKSJ-IBGZPJMESA-N 1 2 474.606 1.016 20 0 JDADLO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164677591 719525941 /nfs/dbraw/zinc/52/59/41/719525941.db2.gz GFRDLVDKCRDNIU-UHFFFAOYSA-N 1 2 478.546 1.526 20 0 JDADLO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164677591 719525956 /nfs/dbraw/zinc/52/59/56/719525956.db2.gz GFRDLVDKCRDNIU-UHFFFAOYSA-N 1 2 478.546 1.526 20 0 JDADLO Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3N2CCn3c(CN4CCOCC4)nnc3C2)cc1 ZINC001164676741 719571158 /nfs/dbraw/zinc/57/11/58/719571158.db2.gz MGXHGGWEBOKKLI-UHFFFAOYSA-N 1 2 494.581 1.421 20 0 JDADLO O=S(=O)(c1ccccc1)n1ccc2c1nc[nH+]c2N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164676954 719575093 /nfs/dbraw/zinc/57/50/93/719575093.db2.gz RVZXKDIMGCNEBO-UHFFFAOYSA-N 1 2 480.554 1.112 20 0 JDADLO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)CC2 ZINC001164690428 719758781 /nfs/dbraw/zinc/75/87/81/719758781.db2.gz BYVCJXSRQWFVAP-UHFFFAOYSA-N 1 2 450.939 1.864 20 0 JDADLO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)CC2 ZINC001164690428 719758787 /nfs/dbraw/zinc/75/87/87/719758787.db2.gz BYVCJXSRQWFVAP-UHFFFAOYSA-N 1 2 450.939 1.864 20 0 JDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccsc2c(N2CCOCC2)n1 ZINC001164701915 719844371 /nfs/dbraw/zinc/84/43/71/719844371.db2.gz MVYMUAROYGIQKS-ZHRRBRCNSA-N 1 2 461.588 1.761 20 0 JDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1C(=O)OCC ZINC001164706721 719847082 /nfs/dbraw/zinc/84/70/82/719847082.db2.gz YJHVUYJNWJHTSV-NYHFZMIOSA-N 1 2 464.519 1.063 20 0 JDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1C(=O)OCC ZINC001164706725 719847118 /nfs/dbraw/zinc/84/71/18/719847118.db2.gz YJHVUYJNWJHTSV-OYHNWAKOSA-N 1 2 464.519 1.063 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2cc3c([nH]2)CCNC3=O)ccn1 ZINC001164705950 719852848 /nfs/dbraw/zinc/85/28/48/719852848.db2.gz VLYDEMGMMMIKQZ-MZNJEOGPSA-N 1 2 453.543 1.595 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCOCC1 ZINC001164700651 719853096 /nfs/dbraw/zinc/85/30/96/719853096.db2.gz IPADXAPLJXBJEZ-HOYKHHGWSA-N 1 2 455.559 1.699 20 0 JDADLO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706946 719859593 /nfs/dbraw/zinc/85/95/93/719859593.db2.gz ZSVSOWYEXQMCDV-LHSJRXKWSA-N 1 2 480.953 1.276 20 0 JDADLO COC(=O)C1CCN(c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nn2)CC1 ZINC001164701019 719860458 /nfs/dbraw/zinc/86/04/58/719860458.db2.gz JBACPWHGHUANOT-MBSDFSHPSA-N 1 2 461.563 1.099 20 0 JDADLO COC(=O)C1CCN(c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nn2)CC1 ZINC001164701022 719860558 /nfs/dbraw/zinc/86/05/58/719860558.db2.gz JBACPWHGHUANOT-WZONZLPQSA-N 1 2 461.563 1.099 20 0 JDADLO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nn2)CC1 ZINC001164701152 719861084 /nfs/dbraw/zinc/86/10/84/719861084.db2.gz JVTYFOLCPLKETD-DVECYGJZSA-N 1 2 475.590 1.489 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1S(=O)(=O)N1CCCC1 ZINC001164698421 719861623 /nfs/dbraw/zinc/86/16/23/719861623.db2.gz CFLKYFNDVHEIHA-DYESRHJHSA-N 1 2 452.577 1.099 20 0 JDADLO COC(=O)C1CCN(c2ccnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)n2)CC1 ZINC001164697805 719862268 /nfs/dbraw/zinc/86/22/68/719862268.db2.gz AVYSEPUVCCEFAU-MBSDFSHPSA-N 1 2 461.563 1.099 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001164704363 719863866 /nfs/dbraw/zinc/86/38/66/719863866.db2.gz LELZZWTUANNVFU-GAJHUEQPSA-N 1 2 490.582 1.905 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2ccn(S(=O)(=O)c3ccccc3)c2n1 ZINC001164699084 719866124 /nfs/dbraw/zinc/86/61/24/719866124.db2.gz ABAHNBZOBWWXLO-YADARESESA-N 1 2 499.593 1.901 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164708516 719867239 /nfs/dbraw/zinc/86/72/39/719867239.db2.gz ZQTHAMKMRLDTCL-FDDCHVKYSA-N 1 2 459.595 1.305 20 0 JDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164708518 719867441 /nfs/dbraw/zinc/86/74/41/719867441.db2.gz ZQTHAMKMRLDTCL-JPYJTQIMSA-N 1 2 459.595 1.305 20 0 JDADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nn2)C1 ZINC001164700547 719869377 /nfs/dbraw/zinc/86/93/77/719869377.db2.gz DVYHQTJTTTWJFR-YDIMBITNSA-N 1 2 475.590 1.489 20 0 JDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)N2CCOCC2)cc1Cl ZINC001164704409 719870380 /nfs/dbraw/zinc/87/03/80/719870380.db2.gz LUDQFCSNXZRBDF-VGSWGCGISA-N 1 2 466.966 1.440 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1 ZINC001164707783 719870419 /nfs/dbraw/zinc/87/04/19/719870419.db2.gz VKQXCJGBDHAXGU-GAJHUEQPSA-N 1 2 459.547 1.145 20 0 JDADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164708226 719870441 /nfs/dbraw/zinc/87/04/41/719870441.db2.gz YWLQQRQTSHIWJQ-VGOFRKELSA-N 1 2 468.620 1.781 20 0 JDADLO CCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1C(=O)OCC ZINC001164702766 719880014 /nfs/dbraw/zinc/88/00/14/719880014.db2.gz PTXCZFXDQSHZTB-HJPURHCSSA-N 1 2 463.531 1.668 20 0 JDADLO CCOC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1C(=O)OCC ZINC001164702767 719880115 /nfs/dbraw/zinc/88/01/15/719880115.db2.gz PTXCZFXDQSHZTB-MWTRTKDXSA-N 1 2 463.531 1.668 20 0 JDADLO COc1ccc2nc(Cl)cc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2n1 ZINC001164708884 719910652 /nfs/dbraw/zinc/91/06/52/719910652.db2.gz LXSDRHGMLRTLJB-UHFFFAOYSA-N 1 2 455.950 1.976 20 0 JDADLO COc1cccc2nc(Cl)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c21 ZINC001164709351 719911129 /nfs/dbraw/zinc/91/11/29/719911129.db2.gz UDHYXFASVWVNBK-UHFFFAOYSA-N 1 2 455.950 1.976 20 0 JDADLO CON(C)C(=O)c1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164708901 719911879 /nfs/dbraw/zinc/91/18/79/719911879.db2.gz MNUVPDCZUCSNEK-UHFFFAOYSA-N 1 2 461.954 1.052 20 0 JDADLO COc1cc2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2cc1OC ZINC001164709338 719912235 /nfs/dbraw/zinc/91/22/35/719912235.db2.gz SWBMBMFUMDTMCX-UHFFFAOYSA-N 1 2 450.543 1.936 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)COc1cccc(Cl)n1)CC2 ZINC001164709358 719914591 /nfs/dbraw/zinc/91/45/91/719914591.db2.gz UJSXJNSYQRAIQO-UHFFFAOYSA-N 1 2 454.909 1.886 20 0 JDADLO Cc1cc(NC(=O)c2cccnc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)no1 ZINC001164708591 719922538 /nfs/dbraw/zinc/92/25/38/719922538.db2.gz MAXYAUKRUWJJDN-UHFFFAOYSA-N 1 2 464.530 1.314 20 0 JDADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708838 719923510 /nfs/dbraw/zinc/92/35/10/719923510.db2.gz UIQFRRCESMUMTF-UHFFFAOYSA-N 1 2 489.646 1.232 20 0 JDADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708634 719923807 /nfs/dbraw/zinc/92/38/07/719923807.db2.gz NVTRSKNEEDKOJC-KRWDZBQOSA-N 1 2 489.646 1.232 20 0 JDADLO COc1ccc(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)c(OC)c1 ZINC001164708307 719931184 /nfs/dbraw/zinc/93/11/84/719931184.db2.gz IJZXOSPYHQNIFK-UHFFFAOYSA-N 1 2 477.569 1.845 20 0 JDADLO COC(=O)c1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c2ccccc2c1OC ZINC001164708261 719932413 /nfs/dbraw/zinc/93/24/13/719932413.db2.gz GPHCGOGPGYBZBQ-UHFFFAOYSA-N 1 2 478.553 1.714 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164701751 719933746 /nfs/dbraw/zinc/93/37/46/719933746.db2.gz BEJTXJSTGDQZHX-UHFFFAOYSA-N 1 2 467.908 1.063 20 0 JDADLO Cc1nc(C)c(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)s1 ZINC001164708630 719934381 /nfs/dbraw/zinc/93/43/81/719934381.db2.gz NRGWJOLGABWQRU-UHFFFAOYSA-N 1 2 452.588 1.901 20 0 JDADLO COc1cc(OC)c2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164713197 719938295 /nfs/dbraw/zinc/93/82/95/719938295.db2.gz NLTHRAFIJPPYDP-UHFFFAOYSA-N 1 2 451.531 1.331 20 0 JDADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164705239 720048768 /nfs/dbraw/zinc/04/87/68/720048768.db2.gz XBLOTQFIQYSCPR-UHFFFAOYSA-N 1 2 460.966 1.904 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C(=O)OC)c3)C2)C1 ZINC001164720607 720234445 /nfs/dbraw/zinc/23/44/45/720234445.db2.gz YWLKYGFJBPJDLD-IBGZPJMESA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C(=O)OC)c3)C2)C1 ZINC001164720607 720234450 /nfs/dbraw/zinc/23/44/50/720234450.db2.gz YWLKYGFJBPJDLD-IBGZPJMESA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4cc(C)sc4c(N4CCOCC4)n3)C2)C1 ZINC001164717537 720264923 /nfs/dbraw/zinc/26/49/23/720264923.db2.gz ANQHXNZHIZROSI-QHCPKHFHSA-N 1 2 474.631 1.501 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4cc(C)sc4c(N4CCOCC4)n3)C2)C1 ZINC001164717537 720264933 /nfs/dbraw/zinc/26/49/33/720264933.db2.gz ANQHXNZHIZROSI-QHCPKHFHSA-N 1 2 474.631 1.501 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@@](F)(COc3cncc(Cl)n3)C(F)F)C2)C1 ZINC001164720963 720294829 /nfs/dbraw/zinc/29/48/29/720294829.db2.gz GFYWUFQVUJJYOY-OALUTQOASA-N 1 2 465.904 1.600 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@@](F)(COc3cncc(Cl)n3)C(F)F)C2)C1 ZINC001164720963 720294833 /nfs/dbraw/zinc/29/48/33/720294833.db2.gz GFYWUFQVUJJYOY-OALUTQOASA-N 1 2 465.904 1.600 20 0 JDADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl ZINC001164724039 720315404 /nfs/dbraw/zinc/31/54/04/720315404.db2.gz QEJVPOSWMIPIMS-OAHLLOKOSA-N 1 2 476.937 1.945 20 0 JDADLO CON(C)C(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820228 720376417 /nfs/dbraw/zinc/37/64/17/720376417.db2.gz MQESMVAVRVQMQP-UHFFFAOYSA-N 1 2 458.588 1.793 20 0 JDADLO CON(C)C(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820228 720376429 /nfs/dbraw/zinc/37/64/29/720376429.db2.gz MQESMVAVRVQMQP-UHFFFAOYSA-N 1 2 458.588 1.793 20 0 JDADLO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819730 720376744 /nfs/dbraw/zinc/37/67/44/720376744.db2.gz HNWRTZBQJLVFBZ-UHFFFAOYSA-N 1 2 475.615 1.943 20 0 JDADLO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819730 720376747 /nfs/dbraw/zinc/37/67/47/720376747.db2.gz HNWRTZBQJLVFBZ-UHFFFAOYSA-N 1 2 475.615 1.943 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)cc5c4C(=O)NC5=O)CC3)C2=O)cs1 ZINC001164819294 720378083 /nfs/dbraw/zinc/37/80/83/720378083.db2.gz BCTJNEALXNDOEG-UHFFFAOYSA-N 1 2 454.556 1.352 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)cc5c4C(=O)NC5=O)CC3)C2=O)cs1 ZINC001164819294 720378093 /nfs/dbraw/zinc/37/80/93/720378093.db2.gz BCTJNEALXNDOEG-UHFFFAOYSA-N 1 2 454.556 1.352 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-n5cncn5)nc(C)n4)CC3)C2=O)cs1 ZINC001164823669 720382767 /nfs/dbraw/zinc/38/27/67/720382767.db2.gz PHCAFKDFTXKDGG-UHFFFAOYSA-N 1 2 453.576 1.444 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-n5cncn5)nc(C)n4)CC3)C2=O)cs1 ZINC001164823669 720382778 /nfs/dbraw/zinc/38/27/78/720382778.db2.gz PHCAFKDFTXKDGG-UHFFFAOYSA-N 1 2 453.576 1.444 20 0 JDADLO COC(=O)c1nc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164821333 720383241 /nfs/dbraw/zinc/38/32/41/720383241.db2.gz FWLASSWCCSFRCY-UHFFFAOYSA-N 1 2 464.979 1.995 20 0 JDADLO COC(=O)c1nc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164821333 720383247 /nfs/dbraw/zinc/38/32/47/720383247.db2.gz FWLASSWCCSFRCY-UHFFFAOYSA-N 1 2 464.979 1.995 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)CC3)C2=O)cs1 ZINC001164821368 720385261 /nfs/dbraw/zinc/38/52/61/720385261.db2.gz GBOJTUOGGXYGLS-UHFFFAOYSA-N 1 2 455.588 1.531 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)CC3)C2=O)cs1 ZINC001164821368 720385271 /nfs/dbraw/zinc/38/52/71/720385271.db2.gz GBOJTUOGGXYGLS-UHFFFAOYSA-N 1 2 455.588 1.531 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4NC(=O)CS5)CC3)C2=O)cs1 ZINC001164821729 720385873 /nfs/dbraw/zinc/38/58/73/720385873.db2.gz IBORVJKVNCWJLK-UHFFFAOYSA-N 1 2 459.601 1.599 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4NC(=O)CS5)CC3)C2=O)cs1 ZINC001164821729 720385878 /nfs/dbraw/zinc/38/58/78/720385878.db2.gz IBORVJKVNCWJLK-UHFFFAOYSA-N 1 2 459.601 1.599 20 0 JDADLO CCOC(=O)c1cnc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164827289 720430857 /nfs/dbraw/zinc/43/08/57/720430857.db2.gz SJXFYHXTVKSJPJ-HNNXBMFYSA-N 1 2 464.954 1.493 20 0 JDADLO CCOC(=O)c1cnc(SC)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164827038 720430930 /nfs/dbraw/zinc/43/09/30/720430930.db2.gz QOLDETMAWMQTQE-MRXNPFEDSA-N 1 2 476.603 1.561 20 0 JDADLO COC(=O)c1ccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ncc2c1 ZINC001164825185 720436655 /nfs/dbraw/zinc/43/66/55/720436655.db2.gz QLJZFDFCOZHUPZ-LJQANCHMSA-N 1 2 466.542 1.603 20 0 JDADLO COC(=O)c1ccc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164822455 720436785 /nfs/dbraw/zinc/43/67/85/720436785.db2.gz FHUFMIJIVGPHRB-GOSISDBHSA-N 1 2 466.542 1.603 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)c(F)cc1C(N)=O)C2 ZINC001164825622 720441497 /nfs/dbraw/zinc/44/14/97/720441497.db2.gz SRVQXGAMMYVJRF-ZDUSSCGKSA-N 1 2 452.918 1.159 20 0 JDADLO CCOC(=O)c1nnc(Cl)cc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164827043 720448512 /nfs/dbraw/zinc/44/85/12/720448512.db2.gz YSOFNLWIVKFISJ-HNNXBMFYSA-N 1 2 464.954 1.493 20 0 JDADLO CCOC(=O)Cc1nc(Cl)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826994 720449000 /nfs/dbraw/zinc/44/90/00/720449000.db2.gz XWWSPJSDMAGRQB-MRXNPFEDSA-N 1 2 478.981 1.422 20 0 JDADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc1OCC ZINC001164826984 720449566 /nfs/dbraw/zinc/44/95/66/720449566.db2.gz XQTFEPDMVOPMRZ-SFHVURJKSA-N 1 2 473.574 1.843 20 0 JDADLO CCOC(=O)c1cc2cccnc2nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164823454 720451353 /nfs/dbraw/zinc/45/13/53/720451353.db2.gz KCTITXKTLHMRME-LJQANCHMSA-N 1 2 480.569 1.993 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164825359 720452700 /nfs/dbraw/zinc/45/27/00/720452700.db2.gz RNLQXERINYXGFP-LJQANCHMSA-N 1 2 456.591 1.796 20 0 JDADLO CCOc1ccc(C(=O)OC)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830611 720457194 /nfs/dbraw/zinc/45/71/94/720457194.db2.gz KINWWTPHAHOOJM-QGZVFWFLSA-N 1 2 459.547 1.453 20 0 JDADLO CCOC(=O)/C=C/c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164830703 720462133 /nfs/dbraw/zinc/46/21/33/720462133.db2.gz KYOMPVZMYNFESK-CYXJOQHWSA-N 1 2 455.559 1.844 20 0 JDADLO CCOC(=O)/C=C\c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164830701 720462580 /nfs/dbraw/zinc/46/25/80/720462580.db2.gz KYOMPVZMYNFESK-BPJPHKDRSA-N 1 2 455.559 1.844 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(-c3cccnc3F)n1)C2 ZINC001164830185 720464201 /nfs/dbraw/zinc/46/42/01/720464201.db2.gz JHDZIGQZWXDWKY-KRWDZBQOSA-N 1 2 453.522 1.864 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C(=O)N3CCCC3)ccn1)C2 ZINC001164833071 720464449 /nfs/dbraw/zinc/46/44/49/720464449.db2.gz XZZKJDTYUWQFTQ-FQEVSTJZSA-N 1 2 454.575 1.504 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(CO)ccc1NC(=O)C(C)(C)C)C2 ZINC001164832332 720465291 /nfs/dbraw/zinc/46/52/91/720465291.db2.gz UNXXRAVCBKEXSA-SFHVURJKSA-N 1 2 486.617 1.745 20 0 JDADLO COC(=O)CSc1cccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831733 720466517 /nfs/dbraw/zinc/46/65/17/720466517.db2.gz PCTWOEZJCIMHLW-KRWDZBQOSA-N 1 2 461.588 1.533 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3c1N(C)CCO3)C2 ZINC001164831795 720467841 /nfs/dbraw/zinc/46/78/41/720467841.db2.gz QMTLGHURVSRGFR-HNNXBMFYSA-N 1 2 463.970 1.145 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001164831767 720468683 /nfs/dbraw/zinc/46/86/83/720468683.db2.gz QADNSQBFEBHLHX-AWEZNQCLSA-N 1 2 484.935 1.565 20 0 JDADLO CC(C)N1Cc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C1=O ZINC001164832636 720468912 /nfs/dbraw/zinc/46/89/12/720468912.db2.gz UPFOQZNLJUTJSM-MRXNPFEDSA-N 1 2 490.008 1.680 20 0 JDADLO Cc1cc(NC(=O)c2cccnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)no1 ZINC001164828877 720469539 /nfs/dbraw/zinc/46/95/39/720469539.db2.gz BPQZCPSVGKIBHB-GOSISDBHSA-N 1 2 481.557 1.816 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cn3ccccc3=O)cn1)C2 ZINC001164832228 720472794 /nfs/dbraw/zinc/47/27/94/720472794.db2.gz RNEXBWKXBWTFSY-NRFANRHFSA-N 1 2 464.570 1.478 20 0 JDADLO COc1cc(OC)c2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164831462 720482189 /nfs/dbraw/zinc/48/21/89/720482189.db2.gz GCNHEZIGMSGDGK-QGZVFWFLSA-N 1 2 468.558 1.833 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)C2 ZINC001164830422 720482600 /nfs/dbraw/zinc/48/26/00/720482600.db2.gz BOBCFXZHSWXPOE-IAGOWNOFSA-N 1 2 478.981 1.484 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)C2 ZINC001164830421 720483031 /nfs/dbraw/zinc/48/30/31/720483031.db2.gz BOBCFXZHSWXPOE-DLBZAZTESA-N 1 2 478.981 1.484 20 0 JDADLO 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/nfs/dbraw/zinc/24/61/16/722246116.db2.gz MBNJGXRJEGKIDZ-SANMLTNESA-N 1 2 473.581 1.937 20 0 JDADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@]5(C4)COCCN(c4ncccn4)C5)c3C2)cc1 ZINC001165003968 722246120 /nfs/dbraw/zinc/24/61/20/722246120.db2.gz MBNJGXRJEGKIDZ-SANMLTNESA-N 1 2 473.581 1.937 20 0 JDADLO Cc1cc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cnc1Cl ZINC001474944727 1069315764 /nfs/dbraw/zinc/31/57/64/1069315764.db2.gz NHJNBASUXXOIHK-OAHLLOKOSA-N 1 2 452.968 1.617 20 0 JDADLO Cc1cc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cnc1Cl ZINC001474944727 1069315785 /nfs/dbraw/zinc/31/57/85/1069315785.db2.gz NHJNBASUXXOIHK-OAHLLOKOSA-N 1 2 452.968 1.617 20 0 JDADLO CCCN(CCC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c[nH+]ccc1OC ZINC001500844803 1069317724 /nfs/dbraw/zinc/31/77/24/1069317724.db2.gz RKVJAPYQXJVPCF-SFHVURJKSA-N 1 2 452.581 1.689 20 0 JDADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001475035462 1069341232 /nfs/dbraw/zinc/34/12/32/1069341232.db2.gz 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Cn1cc([C@@H]2[C@@H](CNC(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC(=O)N2C(C)(C)C)cn1 ZINC001476205760 1069643423 /nfs/dbraw/zinc/64/34/23/1069643423.db2.gz YDAGNFKNTKKHGH-UTKZUKDTSA-N 1 2 472.594 1.459 20 0 JDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCCC3)n2CCc2n[nH]c(C)n2)CC1 ZINC001501775708 1069649190 /nfs/dbraw/zinc/64/91/90/1069649190.db2.gz YHHUJCKHTLKMIT-UHFFFAOYSA-N 1 2 457.627 1.985 20 0 JDADLO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCCC3)n2CCc2n[nH]c(C)n2)CC1 ZINC001501775708 1069649215 /nfs/dbraw/zinc/64/92/15/1069649215.db2.gz YHHUJCKHTLKMIT-UHFFFAOYSA-N 1 2 457.627 1.985 20 0 JDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCCC3)n2CCc2nc(C)n[nH]2)CC1 ZINC001501775708 1069649251 /nfs/dbraw/zinc/64/92/51/1069649251.db2.gz YHHUJCKHTLKMIT-UHFFFAOYSA-N 1 2 457.627 1.985 20 0 JDADLO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCCC3)n2CCc2nc(C)n[nH]2)CC1 ZINC001501775708 1069649309 /nfs/dbraw/zinc/64/93/09/1069649309.db2.gz YHHUJCKHTLKMIT-UHFFFAOYSA-N 1 2 457.627 1.985 20 0 JDADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC001476235287 1069656935 /nfs/dbraw/zinc/65/69/35/1069656935.db2.gz KALFPMCEYZQVRP-OTWHNJEPSA-N 1 2 455.563 1.825 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)C(=O)NC)CC1 ZINC001501780203 1069663399 /nfs/dbraw/zinc/66/33/99/1069663399.db2.gz GQMPBYAEVNFJBP-UHFFFAOYSA-N 1 2 459.595 1.609 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cnn(C)c2C)CC1 ZINC001501780552 1069665134 /nfs/dbraw/zinc/66/51/34/1069665134.db2.gz MMYPORLLBLSMAT-UHFFFAOYSA-N 1 2 454.579 1.927 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccn(C)n2)CC1 ZINC001501780227 1069665373 /nfs/dbraw/zinc/66/53/73/1069665373.db2.gz HOCXRVPXSYMEJC-UHFFFAOYSA-N 1 2 471.997 1.766 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ncn(C)n2)CC1 ZINC001501781020 1069666251 /nfs/dbraw/zinc/66/62/51/1069666251.db2.gz UIKDFJXLSDVWDV-UHFFFAOYSA-N 1 2 467.578 1.121 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@H]2OC)CC1 ZINC001501782866 1069669736 /nfs/dbraw/zinc/66/97/36/1069669736.db2.gz DAEGUEWOGQBWJJ-IFMALSPDSA-N 1 2 485.633 1.690 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC2(OC)CCCC2)CC1 ZINC001501783029 1069670020 /nfs/dbraw/zinc/67/00/20/1069670020.db2.gz GAMWCDQPLHHXHP-UHFFFAOYSA-N 1 2 456.595 1.685 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001501783524 1069672686 /nfs/dbraw/zinc/67/26/86/1069672686.db2.gz MGYFKPJBGHETRB-KNQAVFIVSA-N 1 2 472.638 1.730 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001501783533 1069672760 /nfs/dbraw/zinc/67/27/60/1069672760.db2.gz MQRBOBHLTVEPBA-IBGZPJMESA-N 1 2 470.622 1.189 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2cc(OC)ccc2OC)CC1 ZINC001501783958 1069677545 /nfs/dbraw/zinc/67/75/45/1069677545.db2.gz RSDCYBVJSFMCOR-UHFFFAOYSA-N 1 2 494.600 1.791 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCc2ccn(C)n2)CC1 ZINC001501783794 1069676409 /nfs/dbraw/zinc/67/64/09/1069676409.db2.gz QCSZEIANZQRMOD-UHFFFAOYSA-N 1 2 480.617 1.920 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(OC)ccc2OC)CC1 ZINC001501783765 1069676951 /nfs/dbraw/zinc/67/69/51/1069676951.db2.gz PQUCSGLSIOJMHB-UHFFFAOYSA-N 1 2 496.616 1.735 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cnn(C)c2C)CC1 ZINC001501784050 1069679659 /nfs/dbraw/zinc/67/96/59/1069679659.db2.gz UQKPYNJFDTWMEG-UHFFFAOYSA-N 1 2 465.606 1.729 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCc2ccco2)CC1 ZINC001501784229 1069679747 /nfs/dbraw/zinc/67/97/47/1069679747.db2.gz YFPHQEFAWPVYBA-UHFFFAOYSA-N 1 2 482.589 1.183 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CCSC2)CC1 ZINC001501784068 1069679840 /nfs/dbraw/zinc/67/98/40/1069679840.db2.gz VUBNCLNCOGRLII-JOCHJYFZSA-N 1 2 461.636 1.142 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001501784032 1069677910 /nfs/dbraw/zinc/67/79/10/1069677910.db2.gz TZJXIAFSEMORHR-UHFFFAOYSA-N 1 2 497.579 1.447 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001501784019 1069677990 /nfs/dbraw/zinc/67/79/90/1069677990.db2.gz TWCDHTDRPDJINC-GOSISDBHSA-N 1 2 463.533 1.755 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c[nH+]ccc2OC)CC1 ZINC001501788842 1069696233 /nfs/dbraw/zinc/69/62/33/1069696233.db2.gz VGJYSQDYOSNFCF-UHFFFAOYSA-N 1 2 458.567 1.452 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001501791307 1069709266 /nfs/dbraw/zinc/70/92/66/1069709266.db2.gz GIEHODQYSRWKHG-WOJBJXKFSA-N 1 2 463.627 1.477 20 0 JDADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001476422521 1069710949 /nfs/dbraw/zinc/71/09/49/1069710949.db2.gz ORRURHCPJDAFMD-XMMPIXPASA-N 1 2 459.591 1.088 20 0 JDADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001476422521 1069710968 /nfs/dbraw/zinc/71/09/68/1069710968.db2.gz ORRURHCPJDAFMD-XMMPIXPASA-N 1 2 459.591 1.088 20 0 JDADLO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501791573 1069710814 /nfs/dbraw/zinc/71/08/14/1069710814.db2.gz OFZWXIYUKUECMJ-OAQYLSRUSA-N 1 2 490.653 1.268 20 0 JDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC001476468225 1069718651 /nfs/dbraw/zinc/71/86/51/1069718651.db2.gz GYUXHFXJTNQYTK-MRXNPFEDSA-N 1 2 457.453 1.987 20 0 JDADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001476472746 1069719153 /nfs/dbraw/zinc/71/91/53/1069719153.db2.gz BKSZVMWPEYVOTJ-UHFFFAOYSA-N 1 2 456.528 1.669 20 0 JDADLO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccco1 ZINC001501827351 1069739291 /nfs/dbraw/zinc/73/92/91/1069739291.db2.gz RCNNESNUZUWORR-QZTJIDSGSA-N 1 2 478.619 1.700 20 0 JDADLO CC[NH+](CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccco1 ZINC001501827350 1069740023 /nfs/dbraw/zinc/74/00/23/1069740023.db2.gz RCNNESNUZUWORR-MSOLQXFVSA-N 1 2 478.619 1.700 20 0 JDADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC001476560080 1069740310 /nfs/dbraw/zinc/74/03/10/1069740310.db2.gz QJAQZXAXGFSIHP-UHFFFAOYSA-N 1 2 458.906 1.926 20 0 JDADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](NC(C)=O)C2)c[nH+]1 ZINC001501829989 1069741077 /nfs/dbraw/zinc/74/10/77/1069741077.db2.gz DVBXMXUIRSPWDW-HXUWFJFHSA-N 1 2 468.606 1.909 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)c[nH+]1 ZINC001501840292 1069742980 /nfs/dbraw/zinc/74/29/80/1069742980.db2.gz CUQZSXXKEHDFDR-UXHICEINSA-N 1 2 457.579 1.413 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)=O)CC2)c[nH+]1 ZINC001501833706 1069742123 /nfs/dbraw/zinc/74/21/23/1069742123.db2.gz CFFFHXGPLLMPNY-QGZVFWFLSA-N 1 2 492.650 1.236 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCC(=O)N3)C2)c[nH+]1 ZINC001501831597 1069742657 /nfs/dbraw/zinc/74/26/57/1069742657.db2.gz YTZXNTPHESZKQX-OPAMFIHVSA-N 1 2 490.634 1.037 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CO)CC2)c[nH+]1 ZINC001501840263 1069743728 /nfs/dbraw/zinc/74/37/28/1069743728.db2.gz CIDDJOZJAQIVJD-LJQANCHMSA-N 1 2 462.620 1.678 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c[nH+]1 ZINC001501840694 1069744604 /nfs/dbraw/zinc/74/46/04/1069744604.db2.gz NARPGNUSKWNFPI-ICSRJNTNSA-N 1 2 491.662 1.932 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)c[nH+]1 ZINC001501840417 1069744707 /nfs/dbraw/zinc/74/47/07/1069744707.db2.gz GEXBIDPVXRMQBX-FQEVSTJZSA-N 1 2 491.662 1.837 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)c[nH+]1 ZINC001501840747 1069745087 /nfs/dbraw/zinc/74/50/87/1069745087.db2.gz OJOKCFHOVKBAIP-LJQANCHMSA-N 1 2 491.662 1.980 20 0 JDADLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC001476573578 1069745806 /nfs/dbraw/zinc/74/58/06/1069745806.db2.gz QQDREWXQAKNWMM-INIZCTEOSA-N 1 2 452.499 1.345 20 0 JDADLO CCN(CC)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)c[nH+]1 ZINC001501844464 1069746999 /nfs/dbraw/zinc/74/69/99/1069746999.db2.gz SYHZYFBMCSMRGI-HXUWFJFHSA-N 1 2 464.574 1.505 20 0 JDADLO CCN(CC)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C(=O)NC)C2)c[nH+]1 ZINC001501844200 1069747298 /nfs/dbraw/zinc/74/72/98/1069747298.db2.gz LIDWJGUXCCQYRT-FQEVSTJZSA-N 1 2 464.574 1.505 20 0 JDADLO C[C@H](NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001476606966 1069754579 /nfs/dbraw/zinc/75/45/79/1069754579.db2.gz FEHOBXDTFBYGNU-WMLDXEAASA-N 1 2 454.417 1.352 20 0 JDADLO COc1cc(C(N)=O)ccc1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001476733286 1069768947 /nfs/dbraw/zinc/76/89/47/1069768947.db2.gz GOODBMXSCSLOMO-INIZCTEOSA-N 1 2 455.519 1.211 20 0 JDADLO COc1cc(C(N)=O)ccc1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001476733286 1069768974 /nfs/dbraw/zinc/76/89/74/1069768974.db2.gz GOODBMXSCSLOMO-INIZCTEOSA-N 1 2 455.519 1.211 20 0 JDADLO COc1cc(F)c(F)cc1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001476710140 1069766388 /nfs/dbraw/zinc/76/63/88/1069766388.db2.gz PTWZZKIZAVQHJD-UHFFFAOYSA-N 1 2 455.487 1.642 20 0 JDADLO CCOC1CC(CNC(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)([NH+]2CCOCC2)C1 ZINC001476861070 1069785241 /nfs/dbraw/zinc/78/52/41/1069785241.db2.gz XXANKTLDYZONSM-UHFFFAOYSA-N 1 2 455.577 1.501 20 0 JDADLO CNC(=O)c1[nH]nnc1NC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001477053756 1069799037 /nfs/dbraw/zinc/79/90/37/1069799037.db2.gz RSZCKHUMOMCOFR-UHFFFAOYSA-N 1 2 454.457 1.517 20 0 JDADLO CCOC1CC(CNC(=O)Nc2ccc(C(=O)N=S(C)(C)=O)cc2)([NH+]2CCOCC2)C1 ZINC001477058910 1069799741 /nfs/dbraw/zinc/79/97/41/1069799741.db2.gz ZIJYGSVCEIMEHI-UHFFFAOYSA-N 1 2 452.577 1.946 20 0 JDADLO CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC001477183576 1069803589 /nfs/dbraw/zinc/80/35/89/1069803589.db2.gz CGQLXKUCEMLROE-UHFFFAOYSA-N 1 2 456.551 1.857 20 0 JDADLO COc1cccc(Cn2cccc(NC(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)c2=O)n1 ZINC001477213782 1069804782 /nfs/dbraw/zinc/80/47/82/1069804782.db2.gz ATMUDNVTYMCKCZ-QHCPKHFHSA-N 1 2 457.531 1.038 20 0 JDADLO COc1cccc(Cn2cccc(NC(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)c2=O)n1 ZINC001477213782 1069804784 /nfs/dbraw/zinc/80/47/84/1069804784.db2.gz ATMUDNVTYMCKCZ-QHCPKHFHSA-N 1 2 457.531 1.038 20 0 JDADLO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001477240589 1069806211 /nfs/dbraw/zinc/80/62/11/1069806211.db2.gz FAEKNURXTFSYLD-QPHCHLROSA-N 1 2 451.589 1.373 20 0 JDADLO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001477240589 1069806213 /nfs/dbraw/zinc/80/62/13/1069806213.db2.gz FAEKNURXTFSYLD-QPHCHLROSA-N 1 2 451.589 1.373 20 0 JDADLO O=C(NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001477240892 1069806299 /nfs/dbraw/zinc/80/62/99/1069806299.db2.gz BYBQDZWNGOQTFU-INIZCTEOSA-N 1 2 455.437 1.211 20 0 JDADLO O=C(NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001477240892 1069806301 /nfs/dbraw/zinc/80/63/01/1069806301.db2.gz BYBQDZWNGOQTFU-INIZCTEOSA-N 1 2 455.437 1.211 20 0 JDADLO CC(C)O[C@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC001477274897 1069809596 /nfs/dbraw/zinc/80/95/96/1069809596.db2.gz CWKSANFQTSUEOA-ROUUACIJSA-N 1 2 453.609 1.425 20 0 JDADLO COCCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@H](C)C1 ZINC001477274936 1069809640 /nfs/dbraw/zinc/80/96/40/1069809640.db2.gz DTNROFWWCOJRJD-RBUKOAKNSA-N 1 2 453.609 1.380 20 0 JDADLO COCCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@@H](C)C1 ZINC001477274934 1069809663 /nfs/dbraw/zinc/80/96/63/1069809663.db2.gz DTNROFWWCOJRJD-MOPGFXCFSA-N 1 2 453.609 1.380 20 0 JDADLO CC1(c2ccccc2)CC(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001477275053 1069809676 /nfs/dbraw/zinc/80/96/76/1069809676.db2.gz IPVXQXFPVQHNOX-UHFFFAOYSA-N 1 2 457.600 1.953 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1OCCc2ccccc21 ZINC001477275096 1069809914 /nfs/dbraw/zinc/80/99/14/1069809914.db2.gz JXUGNCDWUYLLBN-HXUWFJFHSA-N 1 2 459.572 1.147 20 0 JDADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2cnccc2o1 ZINC001477275284 1069810139 /nfs/dbraw/zinc/81/01/39/1069810139.db2.gz QOMMSINCGFBNON-INIZCTEOSA-N 1 2 458.544 1.735 20 0 JDADLO COc1ccc2c(c1)CCN(C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001477275499 1069810272 /nfs/dbraw/zinc/81/02/72/1069810272.db2.gz UQPZSWFVEZDMCP-UHFFFAOYSA-N 1 2 459.572 1.310 20 0 JDADLO CSC1CCC(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001477275725 1069810330 /nfs/dbraw/zinc/81/03/30/1069810330.db2.gz YZUCIHYYIJAHJB-UHFFFAOYSA-N 1 2 455.650 1.754 20 0 JDADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2Cc2nncn2C)cc1 ZINC001546215894 1069813064 /nfs/dbraw/zinc/81/30/64/1069813064.db2.gz XEORQVFUJUHWLS-UHFFFAOYSA-N 1 2 465.606 1.675 20 0 JDADLO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001477412544 1069820995 /nfs/dbraw/zinc/82/09/95/1069820995.db2.gz YPIYAOHPSKHDLL-APWZRJJASA-N 1 2 451.593 1.107 20 0 JDADLO CCN(CC1CCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001502106540 1069824322 /nfs/dbraw/zinc/82/43/22/1069824322.db2.gz NRCITSJHWPMQQX-LJQANCHMSA-N 1 2 484.667 1.348 20 0 JDADLO CCN(CC1CCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001502106540 1069824323 /nfs/dbraw/zinc/82/43/23/1069824323.db2.gz NRCITSJHWPMQQX-LJQANCHMSA-N 1 2 484.667 1.348 20 0 JDADLO CN(CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1)S(=O)(=O)c1cccs1 ZINC001477443753 1069824797 /nfs/dbraw/zinc/82/47/97/1069824797.db2.gz SJLVJLIVGRZBJD-UHFFFAOYSA-N 1 2 452.602 1.700 20 0 JDADLO COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)CCS2(=O)=O ZINC001477469789 1069825762 /nfs/dbraw/zinc/82/57/62/1069825762.db2.gz BLNJVBUFRAUTKP-JJQSQXROSA-N 1 2 455.552 1.627 20 0 JDADLO Cn1ccnc1[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC001477493831 1069827304 /nfs/dbraw/zinc/82/73/04/1069827304.db2.gz XSJUHUSDWNUXFE-SFHVURJKSA-N 1 2 453.996 1.971 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001477621514 1069837889 /nfs/dbraw/zinc/83/78/89/1069837889.db2.gz RVEVRFPIASEMPE-PZJWPPBQSA-N 1 2 478.590 1.425 20 0 JDADLO CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCC1 ZINC001477586252 1069835647 /nfs/dbraw/zinc/83/56/47/1069835647.db2.gz BESJYZCVPPPQMW-SFHVURJKSA-N 1 2 452.556 1.765 20 0 JDADLO CNC(=O)[C@@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)Cc1ccc(F)cc1C ZINC001477606457 1069836605 /nfs/dbraw/zinc/83/66/05/1069836605.db2.gz GFRFJFILRPYCSJ-GCJKJVERSA-N 1 2 452.596 1.546 20 0 JDADLO CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)CCO2 ZINC001477607564 1069836713 /nfs/dbraw/zinc/83/67/13/1069836713.db2.gz XVJTUNBXDNUABQ-FQEVSTJZSA-N 1 2 456.609 1.226 20 0 JDADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC001477624238 1069838215 /nfs/dbraw/zinc/83/82/15/1069838215.db2.gz AUDCUGUVZPHTIB-HKUYNNGSSA-N 1 2 454.593 1.006 20 0 JDADLO Cn1ccc(N2CCC[C@@H](NC(=O)NCc3ccccc3OCC[NH+]3CCOCC3)C2=O)n1 ZINC001477631022 1069840065 /nfs/dbraw/zinc/84/00/65/1069840065.db2.gz UXWYNGHCRDYLPA-LJQANCHMSA-N 1 2 456.547 1.126 20 0 JDADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC001477637097 1069840582 /nfs/dbraw/zinc/84/05/82/1069840582.db2.gz LRRFNBDXKHHSHF-IBGZPJMESA-N 1 2 452.621 1.859 20 0 JDADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC001477637097 1069840587 /nfs/dbraw/zinc/84/05/87/1069840587.db2.gz LRRFNBDXKHHSHF-IBGZPJMESA-N 1 2 452.621 1.859 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCC(=O)N3CCc4ccccc43)C2)CC1 ZINC001477715619 1069847645 /nfs/dbraw/zinc/84/76/45/1069847645.db2.gz ZCMMECHUNFBBGD-LJQANCHMSA-N 1 2 457.575 1.912 20 0 JDADLO COc1ccccc1CC(=O)N1CCC(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001477750253 1069852549 /nfs/dbraw/zinc/85/25/49/1069852549.db2.gz YKALMZFSGJTNME-UHFFFAOYSA-N 1 2 452.559 1.859 20 0 JDADLO O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001477725566 1069848252 /nfs/dbraw/zinc/84/82/52/1069848252.db2.gz JKRIULAXNPEDLK-UHFFFAOYSA-N 1 2 454.600 1.783 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC001477740345 1069850897 /nfs/dbraw/zinc/85/08/97/1069850897.db2.gz LWASRRDHTDEVPY-UHFFFAOYSA-N 1 2 459.572 1.642 20 0 JDADLO CCN(CC1CCN(c2ccccn2)CC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001477798417 1069858832 /nfs/dbraw/zinc/85/88/32/1069858832.db2.gz GPXDIJQZDSQHIZ-UHFFFAOYSA-N 1 2 451.637 1.839 20 0 JDADLO Cc1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC[C@H]2CCOC2)c1 ZINC001477798230 1069858884 /nfs/dbraw/zinc/85/88/84/1069858884.db2.gz DABUNVWLWHYYOA-SFHVURJKSA-N 1 2 453.605 1.719 20 0 JDADLO Cn1ccc([C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c2ccc(Cl)cc2)n1 ZINC001477799588 1069859459 /nfs/dbraw/zinc/85/94/59/1069859459.db2.gz QSIBSEUMAUMIQO-IBGZPJMESA-N 1 2 453.996 1.971 20 0 JDADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001502209639 1069862708 /nfs/dbraw/zinc/86/27/08/1069862708.db2.gz JUZLGGINELDNLX-UHFFFAOYSA-N 1 2 493.678 1.832 20 0 JDADLO C[C@H]1CCCN(C(=O)CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001477813779 1069862873 /nfs/dbraw/zinc/86/28/73/1069862873.db2.gz CSSBRXWNXPUUPD-RBUKOAKNSA-N 1 2 459.595 1.230 20 0 JDADLO C[C@H]1CCCN(C(=O)CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001477813779 1069862874 /nfs/dbraw/zinc/86/28/74/1069862874.db2.gz CSSBRXWNXPUUPD-RBUKOAKNSA-N 1 2 459.595 1.230 20 0 JDADLO CCn1nc(C)c(CN(C)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1C ZINC001477813772 1069863032 /nfs/dbraw/zinc/86/30/32/1069863032.db2.gz CQXMFUTYDCZPQB-IBGZPJMESA-N 1 2 456.595 1.957 20 0 JDADLO CCn1nc(C)c(CN(C)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1C ZINC001477813772 1069863034 /nfs/dbraw/zinc/86/30/34/1069863034.db2.gz CQXMFUTYDCZPQB-IBGZPJMESA-N 1 2 456.595 1.957 20 0 JDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N(CCCO)Cc1ccccc1 ZINC001477814332 1069863281 /nfs/dbraw/zinc/86/32/81/1069863281.db2.gz PXRFCLLSTOMQNP-OAQYLSRUSA-N 1 2 454.575 1.876 20 0 JDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N(CCCO)Cc1ccccc1 ZINC001477814332 1069863284 /nfs/dbraw/zinc/86/32/84/1069863284.db2.gz PXRFCLLSTOMQNP-OAQYLSRUSA-N 1 2 454.575 1.876 20 0 JDADLO O=C(NC[C@H](CCO)c1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477813928 1069863312 /nfs/dbraw/zinc/86/33/12/1069863312.db2.gz GRBGMAXREODCSV-SFTDATJTSA-N 1 2 454.575 1.747 20 0 JDADLO O=C(NC[C@H](CCO)c1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477813928 1069863315 /nfs/dbraw/zinc/86/33/15/1069863315.db2.gz GRBGMAXREODCSV-SFTDATJTSA-N 1 2 454.575 1.747 20 0 JDADLO CC(C)(C)N1C[C@H](CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC001477814283 1069863391 /nfs/dbraw/zinc/86/33/91/1069863391.db2.gz PFNCVAJBDATARZ-ROUUACIJSA-N 1 2 459.595 1.228 20 0 JDADLO CC(C)(C)N1C[C@H](CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC001477814283 1069863393 /nfs/dbraw/zinc/86/33/93/1069863393.db2.gz PFNCVAJBDATARZ-ROUUACIJSA-N 1 2 459.595 1.228 20 0 JDADLO CC(C)Oc1cc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ccn1 ZINC001477814265 1069863416 /nfs/dbraw/zinc/86/34/16/1069863416.db2.gz OTOWYAKHKVSOSE-LJQANCHMSA-N 1 2 455.563 1.964 20 0 JDADLO CC(C)Oc1cc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ccn1 ZINC001477814265 1069863423 /nfs/dbraw/zinc/86/34/23/1069863423.db2.gz OTOWYAKHKVSOSE-LJQANCHMSA-N 1 2 455.563 1.964 20 0 JDADLO O=C(NC[C@@H](CCO)c1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477813927 1069863484 /nfs/dbraw/zinc/86/34/84/1069863484.db2.gz GRBGMAXREODCSV-RTWAWAEBSA-N 1 2 454.575 1.747 20 0 JDADLO O=C(NC[C@@H](CCO)c1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477813927 1069863485 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/nfs/dbraw/zinc/11/01/65/1070110165.db2.gz XJQKETNGXPHFJE-GOSISDBHSA-N 1 2 459.570 1.349 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nc(C[NH+](C)C)cs3)CC2)cc1 ZINC001479350527 1070132365 /nfs/dbraw/zinc/13/23/65/1070132365.db2.gz OTUQZSZBIANNIY-UHFFFAOYSA-N 1 2 453.590 1.429 20 0 JDADLO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC001479350458 1070132440 /nfs/dbraw/zinc/13/24/40/1070132440.db2.gz MIKJPIKLMDOHPV-UHFFFAOYSA-N 1 2 458.654 1.541 20 0 JDADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001479391384 1070140989 /nfs/dbraw/zinc/14/09/89/1070140989.db2.gz CZDYKOIYMQEAMU-LJQANCHMSA-N 1 2 454.365 1.891 20 0 JDADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001479391384 1070141001 /nfs/dbraw/zinc/14/10/01/1070141001.db2.gz CZDYKOIYMQEAMU-LJQANCHMSA-N 1 2 454.365 1.891 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCC3(C4(O)CCOCC4)CC3)CC2)C1 ZINC001479384431 1070141454 /nfs/dbraw/zinc/14/14/54/1070141454.db2.gz IXUUWOIWDHVGCN-GOSISDBHSA-N 1 2 452.596 1.645 20 0 JDADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001479392728 1070142577 /nfs/dbraw/zinc/14/25/77/1070142577.db2.gz WHVRPLPLNKECSB-MOPGFXCFSA-N 1 2 468.595 1.539 20 0 JDADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001479392728 1070142606 /nfs/dbraw/zinc/14/26/06/1070142606.db2.gz WHVRPLPLNKECSB-MOPGFXCFSA-N 1 2 468.595 1.539 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)C[C@@H]1C ZINC001502326991 1070150197 /nfs/dbraw/zinc/15/01/97/1070150197.db2.gz GRHXBJNLMJZPOU-IRXDYDNUSA-N 1 2 478.594 1.280 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)C[C@@H]1C ZINC001502326991 1070150213 /nfs/dbraw/zinc/15/02/13/1070150213.db2.gz GRHXBJNLMJZPOU-IRXDYDNUSA-N 1 2 478.594 1.280 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001502327831 1070154251 /nfs/dbraw/zinc/15/42/51/1070154251.db2.gz VBGBKWHXYZGJTM-AEFFLSMTSA-N 1 2 493.630 1.785 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001502327831 1070154263 /nfs/dbraw/zinc/15/42/63/1070154263.db2.gz VBGBKWHXYZGJTM-AEFFLSMTSA-N 1 2 493.630 1.785 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)CC2CC2)C[C@H]1C ZINC001502332743 1070172642 /nfs/dbraw/zinc/17/26/42/1070172642.db2.gz RGBOSKJHYVJHBA-NEWSRXKRSA-N 1 2 455.625 1.357 20 0 JDADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3C[C@@H](F)COC)C2)CC1 ZINC001502332003 1070167990 /nfs/dbraw/zinc/16/79/90/1070167990.db2.gz BEDBORHCGZJQAA-MSOLQXFVSA-N 1 2 460.558 1.126 20 0 JDADLO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502331876 1070168438 /nfs/dbraw/zinc/16/84/38/1070168438.db2.gz YRNDIDJAJGMWJF-XXBNENTESA-N 1 2 477.631 1.554 20 0 JDADLO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502331876 1070168458 /nfs/dbraw/zinc/16/84/58/1070168458.db2.gz YRNDIDJAJGMWJF-XXBNENTESA-N 1 2 477.631 1.554 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)CC2CC2)C[C@H]1C ZINC001502332743 1070172703 /nfs/dbraw/zinc/17/27/03/1070172703.db2.gz RGBOSKJHYVJHBA-NEWSRXKRSA-N 1 2 455.625 1.357 20 0 JDADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001479595993 1070170048 /nfs/dbraw/zinc/17/00/48/1070170048.db2.gz LKWHASYAHJMEMI-AHRSYUTCSA-N 1 2 451.999 1.516 20 0 JDADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001479595993 1070170053 /nfs/dbraw/zinc/17/00/53/1070170053.db2.gz LKWHASYAHJMEMI-AHRSYUTCSA-N 1 2 451.999 1.516 20 0 JDADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001502332841 1070172962 /nfs/dbraw/zinc/17/29/62/1070172962.db2.gz TXDYKGQTPXBKGS-RTBURBONSA-N 1 2 492.669 1.546 20 0 JDADLO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001493076913 1070200575 /nfs/dbraw/zinc/20/05/75/1070200575.db2.gz CKDJALUDULECOC-IBGZPJMESA-N 1 2 474.610 1.849 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3sccc3C)CC2)on1 ZINC001493154004 1070218760 /nfs/dbraw/zinc/21/87/60/1070218760.db2.gz WSTXURWTXOTGBX-INIZCTEOSA-N 1 2 479.632 1.925 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC3(F)CCC3)CC2)on1 ZINC001493153786 1070218845 /nfs/dbraw/zinc/21/88/45/1070218845.db2.gz SOEPDBWIYCLRKH-MRXNPFEDSA-N 1 2 469.587 1.789 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cnccn4)n3CCNC(=O)C(C)(C)C)CC2)on1 ZINC001493155894 1070218894 /nfs/dbraw/zinc/21/88/94/1070218894.db2.gz AUPBNBIYAFCIBU-UHFFFAOYSA-N 1 2 453.551 1.516 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCSC(C)C)CC2)on1 ZINC001493153996 1070219152 /nfs/dbraw/zinc/21/91/52/1070219152.db2.gz WNLOPZHBCLGWAZ-INIZCTEOSA-N 1 2 471.653 1.649 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CCN(C)CC(F)(F)F)CC2)on1 ZINC001493155978 1070220610 /nfs/dbraw/zinc/22/06/10/1070220610.db2.gz DTIVWOOWJONMBQ-INIZCTEOSA-N 1 2 457.501 1.895 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCNS(C)(=O)=O)CC2)on1 ZINC001493158354 1070221945 /nfs/dbraw/zinc/22/19/45/1070221945.db2.gz XKNHNRRDHCFODZ-UHFFFAOYSA-N 1 2 479.994 1.766 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001502378073 1070322485 /nfs/dbraw/zinc/32/24/85/1070322485.db2.gz RBLAMKOKFMCYOL-UHFFFAOYSA-N 1 2 452.567 1.266 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001493724579 1070341681 /nfs/dbraw/zinc/34/16/81/1070341681.db2.gz QHXOQAGLQDESJN-ZWKOTPCHSA-N 1 2 477.635 1.795 20 0 JDADLO CCNC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001502421138 1070362907 /nfs/dbraw/zinc/36/29/07/1070362907.db2.gz ODHOWUSPNBCNFE-UHFFFAOYSA-N 1 2 480.617 1.706 20 0 JDADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001493855117 1070363126 /nfs/dbraw/zinc/36/31/26/1070363126.db2.gz UZQXFGRDQIMIQN-GUDVDZBRSA-N 1 2 491.637 1.643 20 0 JDADLO CC1CCN(c2ccc(Cn3c(Cc4ccccn4)nnc3N(C)CCNS(C)(=O)=O)c[nH+]2)CC1 ZINC001493871934 1070367192 /nfs/dbraw/zinc/36/71/92/1070367192.db2.gz BFIKGCUBHDIOQJ-UHFFFAOYSA-N 1 2 498.657 1.929 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493873655 1070368258 /nfs/dbraw/zinc/36/82/58/1070368258.db2.gz OLIGPYWTLLXEJJ-IAGOWNOFSA-N 1 2 492.650 1.268 20 0 JDADLO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)[C@@H]1C ZINC001493972492 1070373763 /nfs/dbraw/zinc/37/37/63/1070373763.db2.gz KCIJDNZBTVDXHD-KURKYZTESA-N 1 2 463.608 1.743 20 0 JDADLO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)[C@H]1C ZINC001493978906 1070377945 /nfs/dbraw/zinc/37/79/45/1070377945.db2.gz ZBEILOTXSUPSBR-SOLBZPMBSA-N 1 2 463.608 1.355 20 0 JDADLO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)[C@@H]1C ZINC001493978903 1070378332 /nfs/dbraw/zinc/37/83/32/1070378332.db2.gz ZBEILOTXSUPSBR-JFIYKMOQSA-N 1 2 463.608 1.355 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001502439015 1070409732 /nfs/dbraw/zinc/40/97/32/1070409732.db2.gz WKJVVRDVOZVXPZ-UHFFFAOYSA-N 1 2 456.595 1.707 20 0 JDADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494126783 1070412580 /nfs/dbraw/zinc/41/25/80/1070412580.db2.gz DYWBVKKAMMQJOW-IRXDYDNUSA-N 1 2 473.603 1.811 20 0 JDADLO C[C@H]1CN(c2ccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)CC(=O)NC(C)(C)C)c[nH+]2)CCO1 ZINC001494130625 1070418610 /nfs/dbraw/zinc/41/86/10/1070418610.db2.gz UVGOBMMKHMTEEG-SFHVURJKSA-N 1 2 498.632 1.533 20 0 JDADLO C[C@@H]1CN(c2ccc(Cn3c(CC(C)(C)C)nnc3N(C)CC(=O)N3CCOCC3)c[nH+]2)CCO1 ZINC001494130268 1070418690 /nfs/dbraw/zinc/41/86/90/1070418690.db2.gz SYRSMGBIJHECFZ-LJQANCHMSA-N 1 2 485.633 1.830 20 0 JDADLO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001494140343 1070434802 /nfs/dbraw/zinc/43/48/02/1070434802.db2.gz MCBDMDVWZYQGEG-HZPDHXFCSA-N 1 2 474.528 1.781 20 0 JDADLO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001494140343 1070434853 /nfs/dbraw/zinc/43/48/53/1070434853.db2.gz MCBDMDVWZYQGEG-HZPDHXFCSA-N 1 2 474.528 1.781 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001494187714 1070457431 /nfs/dbraw/zinc/45/74/31/1070457431.db2.gz BPZWXVZPNFVRHP-GGPKGHCWSA-N 1 2 494.687 1.904 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001502456531 1070466194 /nfs/dbraw/zinc/46/61/94/1070466194.db2.gz DXWMRAVAKZIICQ-IBGZPJMESA-N 1 2 471.606 1.450 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502454521 1070460978 /nfs/dbraw/zinc/46/09/78/1070460978.db2.gz LPCSFNKRVIFYRD-KRWDZBQOSA-N 1 2 477.560 1.719 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502454521 1070461010 /nfs/dbraw/zinc/46/10/10/1070461010.db2.gz LPCSFNKRVIFYRD-KRWDZBQOSA-N 1 2 477.560 1.719 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502454522 1070461499 /nfs/dbraw/zinc/46/14/99/1070461499.db2.gz LPCSFNKRVIFYRD-QGZVFWFLSA-N 1 2 477.560 1.719 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502454522 1070461524 /nfs/dbraw/zinc/46/15/24/1070461524.db2.gz LPCSFNKRVIFYRD-QGZVFWFLSA-N 1 2 477.560 1.719 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001494190000 1070461967 /nfs/dbraw/zinc/46/19/67/1070461967.db2.gz GMEHUJUVYPOLFP-JKSUJKDBSA-N 1 2 477.566 1.877 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001494189985 1070462003 /nfs/dbraw/zinc/46/20/03/1070462003.db2.gz GJQDCDHQIQNSAX-MSOLQXFVSA-N 1 2 477.635 1.937 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502460863 1070478201 /nfs/dbraw/zinc/47/82/01/1070478201.db2.gz HAFVPWMXQPVAOO-FQEVSTJZSA-N 1 2 471.606 1.738 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502460863 1070478236 /nfs/dbraw/zinc/47/82/36/1070478236.db2.gz HAFVPWMXQPVAOO-FQEVSTJZSA-N 1 2 471.606 1.738 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001494203734 1070493309 /nfs/dbraw/zinc/49/33/09/1070493309.db2.gz YZNFJRKPXPPXEL-ZMMAXQRCSA-N 1 2 498.675 1.637 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001494203734 1070493351 /nfs/dbraw/zinc/49/33/51/1070493351.db2.gz YZNFJRKPXPPXEL-ZMMAXQRCSA-N 1 2 498.675 1.637 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(COCC)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001502463851 1070501464 /nfs/dbraw/zinc/50/14/64/1070501464.db2.gz XKVZMWLXEIKEBT-NRFANRHFSA-N 1 2 471.606 1.567 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(COCC)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001502463851 1070501491 /nfs/dbraw/zinc/50/14/91/1070501491.db2.gz XKVZMWLXEIKEBT-NRFANRHFSA-N 1 2 471.606 1.567 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001502474862 1070546485 /nfs/dbraw/zinc/54/64/85/1070546485.db2.gz OCRLHSMPEQMLNA-SFHVURJKSA-N 1 2 485.618 1.543 20 0 JDADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC(C)(C)C1 ZINC001494365140 1070574018 /nfs/dbraw/zinc/57/40/18/1070574018.db2.gz QKBSZISTUPRNBB-PKOBYXMFSA-N 1 2 491.662 1.993 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001502480876 1070577329 /nfs/dbraw/zinc/57/73/29/1070577329.db2.gz XVMLSTJQFUZXNT-AEFFLSMTSA-N 1 2 468.649 1.169 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001502480876 1070577356 /nfs/dbraw/zinc/57/73/56/1070577356.db2.gz XVMLSTJQFUZXNT-AEFFLSMTSA-N 1 2 468.649 1.169 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001502480879 1070578501 /nfs/dbraw/zinc/57/85/01/1070578501.db2.gz XVMLSTJQFUZXNT-WMZOPIPTSA-N 1 2 468.649 1.169 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COCC)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001502482095 1070580697 /nfs/dbraw/zinc/58/06/97/1070580697.db2.gz CJQCTZXUNSKNHU-LJQANCHMSA-N 1 2 477.635 1.766 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(COCC)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001502482094 1070581117 /nfs/dbraw/zinc/58/11/17/1070581117.db2.gz CJQCTZXUNSKNHU-IBGZPJMESA-N 1 2 477.635 1.766 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001502480879 1070578520 /nfs/dbraw/zinc/57/85/20/1070578520.db2.gz XVMLSTJQFUZXNT-WMZOPIPTSA-N 1 2 468.649 1.169 20 0 JDADLO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC(=O)N1C ZINC001494491303 1070601112 /nfs/dbraw/zinc/60/11/12/1070601112.db2.gz INYFSWJARNEATM-GOSISDBHSA-N 1 2 473.597 1.689 20 0 JDADLO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC(=O)N1C ZINC001494491303 1070601124 /nfs/dbraw/zinc/60/11/24/1070601124.db2.gz INYFSWJARNEATM-GOSISDBHSA-N 1 2 473.597 1.689 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502492115 1070605772 /nfs/dbraw/zinc/60/57/72/1070605772.db2.gz NLPDZFHZXIAVNB-MSOLQXFVSA-N 1 2 454.572 1.001 20 0 JDADLO CCOC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502492115 1070605778 /nfs/dbraw/zinc/60/57/78/1070605778.db2.gz NLPDZFHZXIAVNB-MSOLQXFVSA-N 1 2 454.572 1.001 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnccn1 ZINC001494600909 1070648879 /nfs/dbraw/zinc/64/88/79/1070648879.db2.gz ATLQNJATUYKBPC-INIZCTEOSA-N 1 2 456.576 1.417 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnccn1 ZINC001494600909 1070648885 /nfs/dbraw/zinc/64/88/85/1070648885.db2.gz ATLQNJATUYKBPC-INIZCTEOSA-N 1 2 456.576 1.417 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnccn1 ZINC001494600917 1070648934 /nfs/dbraw/zinc/64/89/34/1070648934.db2.gz ATLQNJATUYKBPC-MRXNPFEDSA-N 1 2 456.576 1.417 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnccn1 ZINC001494600917 1070648941 /nfs/dbraw/zinc/64/89/41/1070648941.db2.gz ATLQNJATUYKBPC-MRXNPFEDSA-N 1 2 456.576 1.417 20 0 JDADLO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502528010 1070647859 /nfs/dbraw/zinc/64/78/59/1070647859.db2.gz SZAVKDYQENSSQF-KRWDZBQOSA-N 1 2 451.535 1.959 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494601989 1070652035 /nfs/dbraw/zinc/65/20/35/1070652035.db2.gz CSTPTVGCBYHXHY-GOSISDBHSA-N 1 2 480.610 1.200 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494601989 1070652041 /nfs/dbraw/zinc/65/20/41/1070652041.db2.gz CSTPTVGCBYHXHY-GOSISDBHSA-N 1 2 480.610 1.200 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1 ZINC001494602557 1070653251 /nfs/dbraw/zinc/65/32/51/1070653251.db2.gz FRUWFBKJRZEWAU-SFHVURJKSA-N 1 2 464.611 1.950 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1 ZINC001494602557 1070653260 /nfs/dbraw/zinc/65/32/60/1070653260.db2.gz FRUWFBKJRZEWAU-SFHVURJKSA-N 1 2 464.611 1.950 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494603536 1070656185 /nfs/dbraw/zinc/65/61/85/1070656185.db2.gz KJXDZCRKWUNPKZ-FQEVSTJZSA-N 1 2 490.674 1.644 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494603536 1070656217 /nfs/dbraw/zinc/65/62/17/1070656217.db2.gz KJXDZCRKWUNPKZ-FQEVSTJZSA-N 1 2 490.674 1.644 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001494605334 1070659879 /nfs/dbraw/zinc/65/98/79/1070659879.db2.gz VTJYMCAZTXNJBT-OALUTQOASA-N 1 2 463.627 1.523 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001494605334 1070659892 /nfs/dbraw/zinc/65/98/92/1070659892.db2.gz VTJYMCAZTXNJBT-OALUTQOASA-N 1 2 463.627 1.523 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)[C@H]3CCSC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502625621 1070710857 /nfs/dbraw/zinc/71/08/57/1070710857.db2.gz YBUCJHODXUNVIS-RXVVDRJESA-N 1 2 452.625 1.036 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CCC(=O)NC)n2Cc2ccc(N3CCCC3)[nH+]c2)CCOC1 ZINC001502649456 1070722443 /nfs/dbraw/zinc/72/24/43/1070722443.db2.gz MOTDGGYOOWIFHL-QHCPKHFHSA-N 1 2 457.579 1.546 20 0 JDADLO CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001494733306 1070730763 /nfs/dbraw/zinc/73/07/63/1070730763.db2.gz BIKILYYNQGNZCI-INIZCTEOSA-N 1 2 453.613 1.943 20 0 JDADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCOC1 ZINC001502655422 1070729112 /nfs/dbraw/zinc/72/91/12/1070729112.db2.gz UPGSODNOCBROAS-WIYYLYMNSA-N 1 2 490.571 1.583 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001502661154 1070736850 /nfs/dbraw/zinc/73/68/50/1070736850.db2.gz ZZCUIZMTURCDLA-KOSHJBKYSA-N 1 2 471.606 1.887 20 0 JDADLO CC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001494798932 1070748784 /nfs/dbraw/zinc/74/87/84/1070748784.db2.gz XJFKYTIREQQHMU-YADARESESA-N 1 2 455.607 1.942 20 0 JDADLO CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001494795549 1070747702 /nfs/dbraw/zinc/74/77/02/1070747702.db2.gz LFZGWSQTNYHYTN-REWPJTCUSA-N 1 2 460.627 1.071 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(C)(COC)CC3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502672250 1070755522 /nfs/dbraw/zinc/75/55/22/1070755522.db2.gz KOUCSSCTOQVOKI-AUSIDOKSSA-N 1 2 451.612 1.904 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001494895312 1070767896 /nfs/dbraw/zinc/76/78/96/1070767896.db2.gz CNEYFTIXVCMIAO-QQMNAOGKSA-N 1 2 456.595 1.321 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC(N(C)C(C)=O)CC3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001502682137 1070775775 /nfs/dbraw/zinc/77/57/75/1070775775.db2.gz VBHQKUFUVWJWPV-DEOSSOPVSA-N 1 2 478.638 1.488 20 0 JDADLO CC[C@H](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001495015485 1070790724 /nfs/dbraw/zinc/79/07/24/1070790724.db2.gz QPLOVJHBKPQFBN-BQJUDKOJSA-N 1 2 462.639 1.976 20 0 JDADLO CC[C@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001494997501 1070787146 /nfs/dbraw/zinc/78/71/46/1070787146.db2.gz VHJYUOWEOBVCIW-ZJOUEHCJSA-N 1 2 472.638 1.873 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001502689493 1070801681 /nfs/dbraw/zinc/80/16/81/1070801681.db2.gz ZMOQGMFWFVFSPN-NTKDMRAZSA-N 1 2 471.606 1.921 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CC(=O)NC(C)C)CCOC1 ZINC001502686104 1070794957 /nfs/dbraw/zinc/79/49/57/1070794957.db2.gz FVHXLBHTFKYMSX-QHCPKHFHSA-N 1 2 457.579 1.479 20 0 JDADLO CCO[C@]1(c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001502686217 1070795408 /nfs/dbraw/zinc/79/54/08/1070795408.db2.gz HNUNYUKOBGEDQY-HSZRJFAPSA-N 1 2 457.579 1.432 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001502686218 1070796116 /nfs/dbraw/zinc/79/61/16/1070796116.db2.gz HNUNYUKOBGEDQY-QHCPKHFHSA-N 1 2 457.579 1.432 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](C(C)C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502689305 1070801234 /nfs/dbraw/zinc/80/12/34/1070801234.db2.gz XVWZAZYMYQNTFR-XUZZJYLKSA-N 1 2 462.639 1.967 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](C(=O)NC)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502688597 1070800123 /nfs/dbraw/zinc/80/01/23/1070800123.db2.gz OBKHWYVCKLFONU-FDDCHVKYSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](C(=O)NC)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502688597 1070800127 /nfs/dbraw/zinc/80/01/27/1070800127.db2.gz OBKHWYVCKLFONU-FDDCHVKYSA-N 1 2 464.611 1.003 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCC[C@H](NC(C)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502692956 1070805208 /nfs/dbraw/zinc/80/52/08/1070805208.db2.gz LLCRTUOYRCVRNX-CVDCTZTESA-N 1 2 457.579 1.544 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502694349 1070807806 /nfs/dbraw/zinc/80/78/06/1070807806.db2.gz ZXPQCBPRZQXUSH-MZLICYQSSA-N 1 2 478.638 1.392 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502694349 1070807814 /nfs/dbraw/zinc/80/78/14/1070807814.db2.gz ZXPQCBPRZQXUSH-MZLICYQSSA-N 1 2 478.638 1.392 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001495586551 1070808083 /nfs/dbraw/zinc/80/80/83/1070808083.db2.gz CHNHVUKDKUPGPK-WBVHZDCISA-N 1 2 452.567 1.833 20 0 JDADLO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001495588257 1070808229 /nfs/dbraw/zinc/80/82/29/1070808229.db2.gz MVGXECYPCVWMKE-IPMKNSEASA-N 1 2 454.641 1.517 20 0 JDADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001495719513 1070817618 /nfs/dbraw/zinc/81/76/18/1070817618.db2.gz ONIKWNGVHIULEI-RTBURBONSA-N 1 2 483.683 1.252 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1CCCC(=O)N(C)C ZINC001495722810 1070817994 /nfs/dbraw/zinc/81/79/94/1070817994.db2.gz JPKAMEGKTYTEPD-MRXNPFEDSA-N 1 2 454.583 1.663 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495790277 1070820212 /nfs/dbraw/zinc/82/02/12/1070820212.db2.gz DMFUVKPDLVJXPT-LJQANCHMSA-N 1 2 459.639 1.937 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001495849371 1070824188 /nfs/dbraw/zinc/82/41/88/1070824188.db2.gz GLICZOPPWNWVRK-IAGOWNOFSA-N 1 2 477.639 1.374 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001495849371 1070824191 /nfs/dbraw/zinc/82/41/91/1070824191.db2.gz GLICZOPPWNWVRK-IAGOWNOFSA-N 1 2 477.639 1.374 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCN(CC(F)F)CC3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001502720787 1070828576 /nfs/dbraw/zinc/82/85/76/1070828576.db2.gz AZJGWENWJIMZNI-QFIPXVFZSA-N 1 2 472.581 1.428 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001495850956 1070825281 /nfs/dbraw/zinc/82/52/81/1070825281.db2.gz PHFOEDHTTFZABF-ROUUACIJSA-N 1 2 477.635 1.542 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001495850952 1070825327 /nfs/dbraw/zinc/82/53/27/1070825327.db2.gz PHFOEDHTTFZABF-MSOLQXFVSA-N 1 2 477.635 1.542 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC001502721639 1070829847 /nfs/dbraw/zinc/82/98/47/1070829847.db2.gz IENZJWREWHMUQE-NQIIRXRSSA-N 1 2 455.625 1.143 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 ZINC001502722655 1070831110 /nfs/dbraw/zinc/83/11/10/1070831110.db2.gz NKCJYFINLLIDFT-UGKGYDQZSA-N 1 2 469.652 1.676 20 0 JDADLO COc1cc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CC3)CC2)cc(OC)c1 ZINC001504100112 1070833064 /nfs/dbraw/zinc/83/30/64/1070833064.db2.gz JFMGCQHTKJUWJU-UHFFFAOYSA-N 1 2 458.563 1.281 20 0 JDADLO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001496165356 1070833141 /nfs/dbraw/zinc/83/31/41/1070833141.db2.gz OPAYFJUACBSUSU-YLFCFFPRSA-N 1 2 463.670 1.168 20 0 JDADLO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001496165356 1070833142 /nfs/dbraw/zinc/83/31/42/1070833142.db2.gz OPAYFJUACBSUSU-YLFCFFPRSA-N 1 2 463.670 1.168 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCOC1 ZINC001502729081 1070839252 /nfs/dbraw/zinc/83/92/52/1070839252.db2.gz KZSTYPVIZNBBPK-MBSDFSHPSA-N 1 2 478.544 1.838 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001496215725 1070836899 /nfs/dbraw/zinc/83/68/99/1070836899.db2.gz XHNWFCZWMQOODP-MRXNPFEDSA-N 1 2 456.595 1.745 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001496219220 1070837103 /nfs/dbraw/zinc/83/71/03/1070837103.db2.gz AOEJDTLJCUOEHC-JKSUJKDBSA-N 1 2 492.650 1.217 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001502726623 1070837608 /nfs/dbraw/zinc/83/76/08/1070837608.db2.gz YQVPXOKIFMPBCS-HSZRJFAPSA-N 1 2 477.009 1.994 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502729436 1070840116 /nfs/dbraw/zinc/84/01/16/1070840116.db2.gz PMUJSPRHYYCWMH-DNVFCKCGSA-N 1 2 451.612 1.902 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502729436 1070840117 /nfs/dbraw/zinc/84/01/17/1070840117.db2.gz PMUJSPRHYYCWMH-DNVFCKCGSA-N 1 2 451.612 1.902 20 0 JDADLO CCO[C@]1(c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502729979 1070841017 /nfs/dbraw/zinc/84/10/17/1070841017.db2.gz UWARRHNUECCZBC-JTDSTZFVSA-N 1 2 463.501 1.418 20 0 JDADLO COc1cc(OC)cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCNC(=O)C(C)(C)C)c1 ZINC001504118382 1070841212 /nfs/dbraw/zinc/84/12/12/1070841212.db2.gz VEDJQPNQJHFHMM-UHFFFAOYSA-N 1 2 474.606 1.893 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001496259111 1070842015 /nfs/dbraw/zinc/84/20/15/1070842015.db2.gz SFKARAQIMIGLTG-ACRUOGEOSA-N 1 2 489.665 1.610 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001496271538 1070843905 /nfs/dbraw/zinc/84/39/05/1070843905.db2.gz RXDDDNWEIXIROW-IAGOWNOFSA-N 1 2 452.625 1.160 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001496273852 1070843943 /nfs/dbraw/zinc/84/39/43/1070843943.db2.gz XGUKJBUTDVOBBJ-MSOLQXFVSA-N 1 2 454.641 1.263 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001496271543 1070844003 /nfs/dbraw/zinc/84/40/03/1070844003.db2.gz RXDDDNWEIXIROW-SJORKVTESA-N 1 2 452.625 1.160 20 0 JDADLO COc1cc(OC)cc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CC(=O)N(C)C)c1 ZINC001504131657 1070849130 /nfs/dbraw/zinc/84/91/30/1070849130.db2.gz TYEAIAJHAFGTET-UHFFFAOYSA-N 1 2 451.531 1.772 20 0 JDADLO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001496658334 1070856021 /nfs/dbraw/zinc/85/60/21/1070856021.db2.gz BYWYAPKNYIBJQQ-SFYKDHMMSA-N 1 2 496.678 1.019 20 0 JDADLO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001496657886 1070856131 /nfs/dbraw/zinc/85/61/31/1070856131.db2.gz BJKFJLCKDQWZPJ-XSDIEEQYSA-N 1 2 499.678 1.167 20 0 JDADLO CCOc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2(O)CCO[C@H]2C)cc1OC ZINC001502792377 1070857762 /nfs/dbraw/zinc/85/77/62/1070857762.db2.gz BAJCERVCFKZIOC-UUOWRZLLSA-N 1 2 475.590 1.661 20 0 JDADLO CCOc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2(C)CN(C)C2=O)cc1OC ZINC001502793130 1070858124 /nfs/dbraw/zinc/85/81/24/1070858124.db2.gz YXXGAKCYDTZUFA-DEOSSOPVSA-N 1 2 472.590 1.599 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@H]1C)CC2 ZINC001502872625 1070871770 /nfs/dbraw/zinc/87/17/70/1070871770.db2.gz MLPFKHDCHWLQSL-MSOLQXFVSA-N 1 2 492.646 1.570 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@H]1C)CC2 ZINC001502872625 1070871771 /nfs/dbraw/zinc/87/17/71/1070871771.db2.gz MLPFKHDCHWLQSL-MSOLQXFVSA-N 1 2 492.646 1.570 20 0 JDADLO COc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2CCNS(C)(=O)=O)cc1 ZINC001504182790 1070867544 /nfs/dbraw/zinc/86/75/44/1070867544.db2.gz LGBALQPCUFCUOL-HXUWFJFHSA-N 1 2 491.662 1.108 20 0 JDADLO COc1ccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CC(=O)N(C)C)cc1OC ZINC001504199413 1070877892 /nfs/dbraw/zinc/87/78/92/1070877892.db2.gz LIWFXJVDECYJFV-UHFFFAOYSA-N 1 2 466.546 1.476 20 0 JDADLO CCOc1ccnc(N2CCN(c3nnc(CC(C)C)n3C[C@H](C)[NH+]3CCOCC3)CC2)n1 ZINC001502925308 1070886760 /nfs/dbraw/zinc/88/67/60/1070886760.db2.gz TUWHOLWLILVIMX-IBGZPJMESA-N 1 2 458.611 1.713 20 0 JDADLO COc1ccc([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H](C)[NH+]3CCOCC3)C2)cc1 ZINC001504215811 1070888972 /nfs/dbraw/zinc/88/89/72/1070888972.db2.gz RXHJQQOGTNLQHQ-NLWGTHIKSA-N 1 2 492.646 1.612 20 0 JDADLO COc1ccc(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001504221074 1070891232 /nfs/dbraw/zinc/89/12/32/1070891232.db2.gz WICGUQPCKKRMBW-WIYYLYMNSA-N 1 2 456.591 1.885 20 0 JDADLO CCOC1CC(Cn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)NC(C)C)([NH+]2CCOCC2)C1 ZINC001502937809 1070893535 /nfs/dbraw/zinc/89/35/35/1070893535.db2.gz FORNJBCHNSSXTH-HDJSMCDHSA-N 1 2 478.638 1.403 20 0 JDADLO CCOC1CC(Cn2c(N(C)CCCC(=O)NC)nnc2C(C)(C)C)([NH+]2CCOCC2)C1 ZINC001502938036 1070894290 /nfs/dbraw/zinc/89/42/90/1070894290.db2.gz DMHJANAWBMHGDJ-UHFFFAOYSA-N 1 2 450.628 1.808 20 0 JDADLO CCOC1CC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C)CC2)([NH+]2CCOCC2)C1 ZINC001502939696 1070895403 /nfs/dbraw/zinc/89/54/03/1070895403.db2.gz ZUJQBPNMIWGSNG-HGCBZUSOSA-N 1 2 498.694 1.785 20 0 JDADLO COc1ccc(CCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001504231573 1070897604 /nfs/dbraw/zinc/89/76/04/1070897604.db2.gz PVXDCOLHJSQZIS-RTBURBONSA-N 1 2 456.591 1.460 20 0 JDADLO COc1ccc(CCc2nnc(N3CCOC[C@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504232002 1070898225 /nfs/dbraw/zinc/89/82/25/1070898225.db2.gz NMKUWEXPTADFSE-LJQANCHMSA-N 1 2 456.591 1.461 20 0 JDADLO COc1ccc(CCc2nnc(N3CCOC[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504232001 1070898269 /nfs/dbraw/zinc/89/82/69/1070898269.db2.gz NMKUWEXPTADFSE-IBGZPJMESA-N 1 2 456.591 1.461 20 0 JDADLO COc1ccc(CCc2nnc(N3CCN(C(C)=O)CC3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001504232345 1070898289 /nfs/dbraw/zinc/89/82/89/1070898289.db2.gz WJCQBSCWLILABN-LJQANCHMSA-N 1 2 456.591 1.461 20 0 JDADLO COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001504256919 1070935853 /nfs/dbraw/zinc/93/58/53/1070935853.db2.gz OUUVPULBFWWNJC-FQEVSTJZSA-N 1 2 472.590 1.600 20 0 JDADLO COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001504262354 1070960051 /nfs/dbraw/zinc/96/00/51/1070960051.db2.gz AEQRNHYDZBKDNJ-KRWDZBQOSA-N 1 2 471.587 1.667 20 0 JDADLO CCOCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@H]1COCCO1 ZINC001503009562 1070964602 /nfs/dbraw/zinc/96/46/02/1070964602.db2.gz OJMTYKGRKYDSMQ-QZTJIDSGSA-N 1 2 451.593 1.801 20 0 JDADLO CCOCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@H]1COCCO1 ZINC001503009561 1070965263 /nfs/dbraw/zinc/96/52/63/1070965263.db2.gz OJMTYKGRKYDSMQ-MSOLQXFVSA-N 1 2 451.593 1.801 20 0 JDADLO CCOCc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503035759 1070998622 /nfs/dbraw/zinc/99/86/22/1070998622.db2.gz XBIGMHMJKSBRBK-RCCFBDPRSA-N 1 2 452.600 1.885 20 0 JDADLO CCOCc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503035759 1070998718 /nfs/dbraw/zinc/99/87/18/1070998718.db2.gz XBIGMHMJKSBRBK-RCCFBDPRSA-N 1 2 452.600 1.885 20 0 JDADLO CCOCc1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503042724 1071005087 /nfs/dbraw/zinc/00/50/87/1071005087.db2.gz XBDACEYRMHDMBF-NRFANRHFSA-N 1 2 456.591 1.678 20 0 JDADLO CCOCc1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503042724 1071005106 /nfs/dbraw/zinc/00/51/06/1071005106.db2.gz XBDACEYRMHDMBF-NRFANRHFSA-N 1 2 456.591 1.678 20 0 JDADLO CCOCc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503044276 1071005762 /nfs/dbraw/zinc/00/57/62/1071005762.db2.gz PZVJCPJKGOCGDF-HNNXBMFYSA-N 1 2 462.517 1.430 20 0 JDADLO CCOCc1nnc(N2CCC(CCC(N)=O)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001503055715 1071010484 /nfs/dbraw/zinc/01/04/84/1071010484.db2.gz JKTPUDZIWDESCZ-SFHVURJKSA-N 1 2 471.606 1.965 20 0 JDADLO CCOCc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503058663 1071014068 /nfs/dbraw/zinc/01/40/68/1071014068.db2.gz SKXVACQBVGOUHA-MSOLQXFVSA-N 1 2 452.600 1.886 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNS(C)(=O)=O)CC1 ZINC001504293123 1071019838 /nfs/dbraw/zinc/01/98/38/1071019838.db2.gz RTXKMQACCFNQSK-QGZVFWFLSA-N 1 2 496.609 1.191 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503063514 1071019940 /nfs/dbraw/zinc/01/99/40/1071019940.db2.gz OOYSZQRPABSHTP-KRWDZBQOSA-N 1 2 462.620 1.996 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503063514 1071019967 /nfs/dbraw/zinc/01/99/67/1071019967.db2.gz OOYSZQRPABSHTP-KRWDZBQOSA-N 1 2 462.620 1.996 20 0 JDADLO CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503062332 1071017846 /nfs/dbraw/zinc/01/78/46/1071017846.db2.gz QXYJHGCNUXGAFN-OALUTQOASA-N 1 2 465.643 1.944 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503063114 1071018951 /nfs/dbraw/zinc/01/89/51/1071018951.db2.gz DGSKEWGETMMSNK-INIZCTEOSA-N 1 2 461.567 1.231 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503063114 1071018971 /nfs/dbraw/zinc/01/89/71/1071018971.db2.gz DGSKEWGETMMSNK-INIZCTEOSA-N 1 2 461.567 1.231 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503063515 1071019687 /nfs/dbraw/zinc/01/96/87/1071019687.db2.gz OOYSZQRPABSHTP-QGZVFWFLSA-N 1 2 462.620 1.996 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503063515 1071019709 /nfs/dbraw/zinc/01/97/09/1071019709.db2.gz OOYSZQRPABSHTP-QGZVFWFLSA-N 1 2 462.620 1.996 20 0 JDADLO CCOCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001503066216 1071021316 /nfs/dbraw/zinc/02/13/16/1071021316.db2.gz LTCCPIUQVASXRE-KRWDZBQOSA-N 1 2 491.543 1.916 20 0 JDADLO COc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001504298315 1071025117 /nfs/dbraw/zinc/02/51/17/1071025117.db2.gz VHIPTKMVZGZKKK-SFHVURJKSA-N 1 2 453.547 1.980 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001503080542 1071029882 /nfs/dbraw/zinc/02/98/82/1071029882.db2.gz ZWKKLJDKGWNQIK-QUCCMNQESA-N 1 2 471.606 1.836 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](C(=O)NC)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001503075030 1071027027 /nfs/dbraw/zinc/02/70/27/1071027027.db2.gz BROUUQKGMBTJNV-MJGOQNOKSA-N 1 2 457.579 1.445 20 0 JDADLO COc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001504304580 1071032290 /nfs/dbraw/zinc/03/22/90/1071032290.db2.gz DDEGCLXWIWZVBQ-SFHVURJKSA-N 1 2 486.598 1.998 20 0 JDADLO COc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001504305996 1071033699 /nfs/dbraw/zinc/03/36/99/1071033699.db2.gz HSGZQODGUWWNCB-UZUQRXQVSA-N 1 2 458.563 1.288 20 0 JDADLO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001504305630 1071033936 /nfs/dbraw/zinc/03/39/36/1071033936.db2.gz JCPQOKKBZMKSHT-QZTJIDSGSA-N 1 2 458.563 1.253 20 0 JDADLO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001504305630 1071033941 /nfs/dbraw/zinc/03/39/41/1071033941.db2.gz JCPQOKKBZMKSHT-QZTJIDSGSA-N 1 2 458.563 1.253 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503097742 1071040597 /nfs/dbraw/zinc/04/05/97/1071040597.db2.gz HTODZAYNSCWLMH-GOSISDBHSA-N 1 2 460.554 1.637 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503097742 1071040610 /nfs/dbraw/zinc/04/06/10/1071040610.db2.gz HTODZAYNSCWLMH-GOSISDBHSA-N 1 2 460.554 1.637 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001503098060 1071042547 /nfs/dbraw/zinc/04/25/47/1071042547.db2.gz HLLJNZGZONTNPQ-UHFFFAOYSA-N 1 2 455.563 1.078 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503098150 1071042628 /nfs/dbraw/zinc/04/26/28/1071042628.db2.gz JZPUETBTMZLBBM-UHFFFAOYSA-N 1 2 472.590 1.593 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001503098150 1071042636 /nfs/dbraw/zinc/04/26/36/1071042636.db2.gz JZPUETBTMZLBBM-UHFFFAOYSA-N 1 2 472.590 1.593 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503098661 1071043734 /nfs/dbraw/zinc/04/37/34/1071043734.db2.gz OFMDQQLETOIRKV-FQEVSTJZSA-N 1 2 485.633 1.509 20 0 JDADLO COc1ccc(OCc2nnc(N3CCO[C@H](CNC(C)=O)C3)n2Cc2c[nH+]ccc2OC)cc1 ZINC001504314914 1071046229 /nfs/dbraw/zinc/04/62/29/1071046229.db2.gz TXGGGHYRBCGUMY-OAQYLSRUSA-N 1 2 482.541 1.659 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503100437 1071050394 /nfs/dbraw/zinc/05/03/94/1071050394.db2.gz DMZRSRMHKPHIIU-QZTJIDSGSA-N 1 2 452.600 1.981 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)OCC)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503100957 1071051427 /nfs/dbraw/zinc/05/14/27/1071051427.db2.gz NFMVPRJTGCSFEC-UHFFFAOYSA-N 1 2 459.551 1.373 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001503101249 1071052083 /nfs/dbraw/zinc/05/20/83/1071052083.db2.gz CGZZDXXMYWMYPM-HXUWFJFHSA-N 1 2 458.563 1.604 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001503101249 1071052098 /nfs/dbraw/zinc/05/20/98/1071052098.db2.gz CGZZDXXMYWMYPM-HXUWFJFHSA-N 1 2 458.563 1.604 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(=O)Nc1ccc(F)cc1 ZINC001503106527 1071057587 /nfs/dbraw/zinc/05/75/87/1071057587.db2.gz AUDCFSDHULTEDY-SFHVURJKSA-N 1 2 487.580 1.725 20 0 JDADLO CCOCc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503103684 1071054212 /nfs/dbraw/zinc/05/42/12/1071054212.db2.gz MBUSZSGTJIAPOS-IBGZPJMESA-N 1 2 473.597 1.833 20 0 JDADLO CCOCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001503108360 1071061626 /nfs/dbraw/zinc/06/16/26/1071061626.db2.gz UZEMMYPINORYFQ-FQEVSTJZSA-N 1 2 477.654 1.058 20 0 JDADLO COc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001504332955 1071064319 /nfs/dbraw/zinc/06/43/19/1071064319.db2.gz ZGPKVICYQYPFMT-HDICACEKSA-N 1 2 465.620 1.934 20 0 JDADLO COc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001504332955 1071064330 /nfs/dbraw/zinc/06/43/30/1071064330.db2.gz ZGPKVICYQYPFMT-HDICACEKSA-N 1 2 465.620 1.934 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001503108263 1071060870 /nfs/dbraw/zinc/06/08/70/1071060870.db2.gz RUEVRIWKVKQTCS-SFHVURJKSA-N 1 2 484.605 1.486 20 0 JDADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001503108133 1071061081 /nfs/dbraw/zinc/06/10/81/1071061081.db2.gz ZHBJHVBFZLWALR-QHCPKHFHSA-N 1 2 456.595 1.841 20 0 JDADLO CCOCc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001503108361 1071061433 /nfs/dbraw/zinc/06/14/33/1071061433.db2.gz UZEMMYPINORYFQ-HXUWFJFHSA-N 1 2 477.654 1.058 20 0 JDADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@]1(C)CCCO1 ZINC001503115195 1071076056 /nfs/dbraw/zinc/07/60/56/1071076056.db2.gz KKFOPSAVYXMFSB-OFNKIYASSA-N 1 2 450.628 1.615 20 0 JDADLO COc1cccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001504348468 1071078810 /nfs/dbraw/zinc/07/88/10/1071078810.db2.gz GPMZPUHOGYAHHJ-OPYAIIAOSA-N 1 2 492.646 1.959 20 0 JDADLO COc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)CC2)c1 ZINC001504361886 1071093410 /nfs/dbraw/zinc/09/34/10/1071093410.db2.gz DDLDDNGSHWEUIR-UHFFFAOYSA-N 1 2 485.633 1.862 20 0 JDADLO COc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCOC(C)(C)C3)CC2)c1 ZINC001504361886 1071093432 /nfs/dbraw/zinc/09/34/32/1071093432.db2.gz DDLDDNGSHWEUIR-UHFFFAOYSA-N 1 2 485.633 1.862 20 0 JDADLO CCOC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001503146009 1071101093 /nfs/dbraw/zinc/10/10/93/1071101093.db2.gz QWHGUNDTVGWMEF-IBGZPJMESA-N 1 2 457.579 1.559 20 0 JDADLO CCOC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001503148026 1071102289 /nfs/dbraw/zinc/10/22/89/1071102289.db2.gz JPCDHIYICBBNRQ-PKOBYXMFSA-N 1 2 493.634 1.031 20 0 JDADLO COc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(=O)NC(C)C ZINC001504385158 1071117608 /nfs/dbraw/zinc/11/76/08/1071117608.db2.gz KTFIIIUNEPUZQR-LJQANCHMSA-N 1 2 483.617 1.611 20 0 JDADLO COc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1c[nH+]ccc1OC ZINC001504397651 1071132159 /nfs/dbraw/zinc/13/21/59/1071132159.db2.gz HSDCVHPMTDAEGF-GOSISDBHSA-N 1 2 457.556 1.953 20 0 JDADLO CCOCCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503193965 1071139784 /nfs/dbraw/zinc/13/97/84/1071139784.db2.gz UBLCHSVXFUTQDC-UHFFFAOYSA-N 1 2 457.579 1.657 20 0 JDADLO COc1ccccc1Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCNC(C)=O ZINC001504412711 1071161918 /nfs/dbraw/zinc/16/19/18/1071161918.db2.gz NRCBSSKUJCUCKY-HXUWFJFHSA-N 1 2 497.644 1.537 20 0 JDADLO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[S@@](=O)CC)CC1 ZINC001503218258 1071169078 /nfs/dbraw/zinc/16/90/78/1071169078.db2.gz ZZOVWNSQDWEWNC-LJAQVGFWSA-N 1 2 487.468 1.973 20 0 JDADLO CCOCCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503218493 1071171176 /nfs/dbraw/zinc/17/11/76/1071171176.db2.gz CPCWVGBIHUNUSI-QFIPXVFZSA-N 1 2 459.639 1.799 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503220999 1071175579 /nfs/dbraw/zinc/17/55/79/1071175579.db2.gz OIXTZYSFFZPOTG-QUCCMNQESA-N 1 2 479.651 1.441 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503220999 1071175594 /nfs/dbraw/zinc/17/55/94/1071175594.db2.gz OIXTZYSFFZPOTG-QUCCMNQESA-N 1 2 479.651 1.441 20 0 JDADLO CCOCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001503223062 1071185128 /nfs/dbraw/zinc/18/51/28/1071185128.db2.gz MYQNZSBASFJSGT-JGCGQSQUSA-N 1 2 463.652 1.599 20 0 JDADLO CCOCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001503223093 1071186148 /nfs/dbraw/zinc/18/61/48/1071186148.db2.gz LOCMLTDQCMTUAH-LEWJYISDSA-N 1 2 450.628 1.299 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503224838 1071193579 /nfs/dbraw/zinc/19/35/79/1071193579.db2.gz FAGHKSYHJXWEHF-HSALFYBXSA-N 1 2 469.652 1.892 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1CC ZINC001503224838 1071193598 /nfs/dbraw/zinc/19/35/98/1071193598.db2.gz FAGHKSYHJXWEHF-HSALFYBXSA-N 1 2 469.652 1.892 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCN(CC(F)F)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504437936 1071203842 /nfs/dbraw/zinc/20/38/42/1071203842.db2.gz KCRANDZRNCECCT-SFHVURJKSA-N 1 2 480.560 1.974 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCN(CC(F)F)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504437936 1071203862 /nfs/dbraw/zinc/20/38/62/1071203862.db2.gz KCRANDZRNCECCT-SFHVURJKSA-N 1 2 480.560 1.974 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCN(CC(F)F)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504437935 1071203967 /nfs/dbraw/zinc/20/39/67/1071203967.db2.gz KCRANDZRNCECCT-GOSISDBHSA-N 1 2 480.560 1.974 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCN(CC(F)F)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504437935 1071203977 /nfs/dbraw/zinc/20/39/77/1071203977.db2.gz KCRANDZRNCECCT-GOSISDBHSA-N 1 2 480.560 1.974 20 0 JDADLO COc1ccccc1OCc1nnc(N2CC[NH+](C3CCC3)CC2)n1CCCS(C)(=O)=O ZINC001504437939 1071204162 /nfs/dbraw/zinc/20/41/62/1071204162.db2.gz KEWSZZREOOQXLT-UHFFFAOYSA-N 1 2 463.604 1.975 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC[C@@H](OC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504438932 1071208075 /nfs/dbraw/zinc/20/80/75/1071208075.db2.gz WNXXVVFPUFJYMM-HXUWFJFHSA-N 1 2 472.590 1.645 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503234622 1071214420 /nfs/dbraw/zinc/21/44/20/1071214420.db2.gz AVJDXKHCZQIZIJ-HNNXBMFYSA-N 1 2 451.597 1.185 20 0 JDADLO COc1ccccc1SCc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001504445400 1071216905 /nfs/dbraw/zinc/21/69/05/1071216905.db2.gz PNIKEAAUCRMZQD-ROUUACIJSA-N 1 2 474.631 1.967 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001504452423 1071223023 /nfs/dbraw/zinc/22/30/23/1071223023.db2.gz BDDLAPMUYFZBQK-ZIAGYGMSSA-N 1 2 491.540 1.413 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 ZINC001504453217 1071223686 /nfs/dbraw/zinc/22/36/86/1071223686.db2.gz HRZJLUPRAKHZQL-MRXNPFEDSA-N 1 2 464.592 1.880 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001504453676 1071224268 /nfs/dbraw/zinc/22/42/68/1071224268.db2.gz PFTAQSGKZGLIRY-KRWDZBQOSA-N 1 2 457.922 1.787 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001504453750 1071224326 /nfs/dbraw/zinc/22/43/26/1071224326.db2.gz LNFYPNAUOPPRDX-UHFFFAOYSA-N 1 2 472.571 1.908 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001504453678 1071224451 /nfs/dbraw/zinc/22/44/51/1071224451.db2.gz PFTAQSGKZGLIRY-QGZVFWFLSA-N 1 2 457.922 1.787 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001504454382 1071226097 /nfs/dbraw/zinc/22/60/97/1071226097.db2.gz QQQIHISHJCCIFZ-QWQRMKEZSA-N 1 2 450.565 1.344 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001504455129 1071228565 /nfs/dbraw/zinc/22/85/65/1071228565.db2.gz XTVGQNLUURFQOD-OAHLLOKOSA-N 1 2 474.591 1.458 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001504455235 1071228801 /nfs/dbraw/zinc/22/88/01/1071228801.db2.gz YQLNENKISQNHTI-UHFFFAOYSA-N 1 2 495.588 1.248 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001504455128 1071228968 /nfs/dbraw/zinc/22/89/68/1071228968.db2.gz XTVGQNLUURFQOD-HNNXBMFYSA-N 1 2 474.591 1.458 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001504455045 1071228996 /nfs/dbraw/zinc/22/89/96/1071228996.db2.gz VXFRITJKJQLMRX-WMLDXEAASA-N 1 2 454.622 1.918 20 0 JDADLO COc1cc[nH+]cc1Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001504455706 1071230538 /nfs/dbraw/zinc/23/05/38/1071230538.db2.gz JMZIKWJYBRZPHU-UHFFFAOYSA-N 1 2 479.585 1.562 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001504455251 1071229677 /nfs/dbraw/zinc/22/96/77/1071229677.db2.gz ZFPJPCNJICYHNX-CYBMUJFWSA-N 1 2 459.532 1.004 20 0 JDADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC001504460653 1071238983 /nfs/dbraw/zinc/23/89/83/1071238983.db2.gz UTJBXVAOZOOIPU-INIZCTEOSA-N 1 2 453.551 1.851 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSC ZINC001504460789 1071239253 /nfs/dbraw/zinc/23/92/53/1071239253.db2.gz WOPLNIXZJBPYQO-MAUKXSAKSA-N 1 2 484.648 1.641 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001504459532 1071237132 /nfs/dbraw/zinc/23/71/32/1071237132.db2.gz PVMDQFRFUYNJSF-MOPGFXCFSA-N 1 2 496.659 1.641 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001504459542 1071237187 /nfs/dbraw/zinc/23/71/87/1071237187.db2.gz PVMDQFRFUYNJSF-RTBURBONSA-N 1 2 496.659 1.641 20 0 JDADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001503243566 1071237379 /nfs/dbraw/zinc/23/73/79/1071237379.db2.gz VKXUJRDHLYLBCY-MSOLQXFVSA-N 1 2 452.625 1.889 20 0 JDADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503243566 1071237385 /nfs/dbraw/zinc/23/73/85/1071237385.db2.gz VKXUJRDHLYLBCY-MSOLQXFVSA-N 1 2 452.625 1.889 20 0 JDADLO COC(=O)c1ccc(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)n1C ZINC001546289317 1071242589 /nfs/dbraw/zinc/24/25/89/1071242589.db2.gz GBJOHVSOAZUICH-UHFFFAOYSA-N 1 2 456.543 1.327 20 0 JDADLO COC1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001504464184 1071242624 /nfs/dbraw/zinc/24/26/24/1071242624.db2.gz RHJYJFGWKPCNOW-QNGMFEMESA-N 1 2 489.665 1.754 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Cc3nc(C4CC4)nn3C)cc2)CC1 ZINC001546289437 1071261567 /nfs/dbraw/zinc/26/15/67/1071261567.db2.gz JYYIQGIJTZSUKR-UHFFFAOYSA-N 1 2 454.575 1.137 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001503250979 1071264370 /nfs/dbraw/zinc/26/43/70/1071264370.db2.gz XMBJRVQWZADEBF-KRWDZBQOSA-N 1 2 461.592 1.144 20 0 JDADLO COc1ccccc1C(=O)C(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001546289489 1071278928 /nfs/dbraw/zinc/27/89/28/1071278928.db2.gz LELOYZIXZKAEMZ-UHFFFAOYSA-N 1 2 453.539 1.780 20 0 JDADLO CO[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1(C)C ZINC001504506652 1071281642 /nfs/dbraw/zinc/28/16/42/1071281642.db2.gz WYEBSUSQMLYNID-AEFFLSMTSA-N 1 2 477.635 1.793 20 0 JDADLO CO[C@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504516047 1071291411 /nfs/dbraw/zinc/29/14/11/1071291411.db2.gz GGHQMLDCDJYBEG-MJGOQNOKSA-N 1 2 477.635 1.555 20 0 JDADLO CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC001504520126 1071297132 /nfs/dbraw/zinc/29/71/32/1071297132.db2.gz KNLMNWNPKOAUPI-UWJYYQICSA-N 1 2 458.611 1.165 20 0 JDADLO CO[C@H]1COCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504529337 1071313551 /nfs/dbraw/zinc/31/35/51/1071313551.db2.gz ISJZFVOEXNWZSK-IRLDBZIGSA-N 1 2 459.591 1.985 20 0 JDADLO CCS(=O)(=O)CCn1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001503263218 1071318546 /nfs/dbraw/zinc/31/85/46/1071318546.db2.gz ZYUBBUAEPKXMOQ-NQIIRXRSSA-N 1 2 455.625 1.428 20 0 JDADLO CCS(=O)(=O)CCn1c(N2CC[N@H+]3CCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001503263218 1071318565 /nfs/dbraw/zinc/31/85/65/1071318565.db2.gz ZYUBBUAEPKXMOQ-NQIIRXRSSA-N 1 2 455.625 1.428 20 0 JDADLO CCS(=O)(=O)N(C)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001503268164 1071345887 /nfs/dbraw/zinc/34/58/87/1071345887.db2.gz ITLKHSUVECPKEC-KRWDZBQOSA-N 1 2 454.641 1.202 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001504543270 1071369738 /nfs/dbraw/zinc/36/97/38/1071369738.db2.gz BBJIZWJPWCELKS-HXUWFJFHSA-N 1 2 486.617 1.618 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001504543270 1071369755 /nfs/dbraw/zinc/36/97/55/1071369755.db2.gz BBJIZWJPWCELKS-HXUWFJFHSA-N 1 2 486.617 1.618 20 0 JDADLO CCS(=O)(=O)NCCCn1c(C(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001503272572 1071370973 /nfs/dbraw/zinc/37/09/73/1071370973.db2.gz BWKVFIQITCHBSK-UHFFFAOYSA-N 1 2 455.654 1.818 20 0 JDADLO COCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504550929 1071376056 /nfs/dbraw/zinc/37/60/56/1071376056.db2.gz VHPINMSJEHVFAN-ROUUACIJSA-N 1 2 461.611 1.035 20 0 JDADLO CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001503274698 1071380633 /nfs/dbraw/zinc/38/06/33/1071380633.db2.gz DAYVRPGRLXWQKL-UHFFFAOYSA-N 1 2 476.607 1.232 20 0 JDADLO COC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504570110 1071392239 /nfs/dbraw/zinc/39/22/39/1071392239.db2.gz LIOHRKZCPKPWCA-TZIWHRDSSA-N 1 2 460.627 1.192 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@](C)(O)Cc3ccccc3)cc2)CC1 ZINC001546289759 1071394034 /nfs/dbraw/zinc/39/40/34/1071394034.db2.gz SWNOTQFTEIOIEN-SANMLTNESA-N 1 2 453.583 1.882 20 0 JDADLO COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001504577948 1071399578 /nfs/dbraw/zinc/39/95/78/1071399578.db2.gz HCTMYGIMOHEWPF-SFHVURJKSA-N 1 2 474.610 1.626 20 0 JDADLO COC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504581331 1071405581 /nfs/dbraw/zinc/40/55/81/1071405581.db2.gz SKUIHERDGQZPAL-DENIHFKCSA-N 1 2 486.617 1.748 20 0 JDADLO COC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504581334 1071405291 /nfs/dbraw/zinc/40/52/91/1071405291.db2.gz SKUIHERDGQZPAL-KNQAVFIVSA-N 1 2 486.617 1.748 20 0 JDADLO COC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504581340 1071406244 /nfs/dbraw/zinc/40/62/44/1071406244.db2.gz SKUIHERDGQZPAL-UGKGYDQZSA-N 1 2 486.617 1.748 20 0 JDADLO COC[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001504581390 1071406394 /nfs/dbraw/zinc/40/63/94/1071406394.db2.gz KOGRARKEQDPSSF-FQEVSTJZSA-N 1 2 456.591 1.659 20 0 JDADLO COC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504585953 1071417038 /nfs/dbraw/zinc/41/70/38/1071417038.db2.gz VYNKCUWWJMPFGO-SFTDATJTSA-N 1 2 475.638 1.176 20 0 JDADLO COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504585951 1071417178 /nfs/dbraw/zinc/41/71/78/1071417178.db2.gz VYNKCUWWJMPFGO-NHCUHLMSSA-N 1 2 475.638 1.176 20 0 JDADLO COC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)OC ZINC001504585952 1071417256 /nfs/dbraw/zinc/41/72/56/1071417256.db2.gz VYNKCUWWJMPFGO-RTWAWAEBSA-N 1 2 475.638 1.176 20 0 JDADLO COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504586129 1071418071 /nfs/dbraw/zinc/41/80/71/1071418071.db2.gz XRQZSJWASTVCLE-UYAOXDASSA-N 1 2 457.579 1.134 20 0 JDADLO CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503284688 1071458704 /nfs/dbraw/zinc/45/87/04/1071458704.db2.gz XDQFQTRWJIMQED-UHFFFAOYSA-N 1 2 476.632 1.295 20 0 JDADLO COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504606902 1071461473 /nfs/dbraw/zinc/46/14/73/1071461473.db2.gz IBXUBWDRWQBAIH-CEXWTWQISA-N 1 2 452.575 1.290 20 0 JDADLO COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC001504626874 1071485310 /nfs/dbraw/zinc/48/53/10/1071485310.db2.gz AJKPWFNTKHBABB-QGZVFWFLSA-N 1 2 463.608 1.427 20 0 JDADLO CC[S@](=O)CCn1c(-c2ccccc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503293033 1071499062 /nfs/dbraw/zinc/49/90/62/1071499062.db2.gz ZSGCMAGMRBKBMO-KHZGNEAMSA-N 1 2 458.632 1.703 20 0 JDADLO CC[S@](=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503293032 1071499408 /nfs/dbraw/zinc/49/94/08/1071499408.db2.gz ZSGCMAGMRBKBMO-GZWABDKCSA-N 1 2 458.632 1.703 20 0 JDADLO CC[S@](=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001503294993 1071505702 /nfs/dbraw/zinc/50/57/02/1071505702.db2.gz PYUVCMSTKDRETP-YTTGMZPUSA-N 1 2 457.604 1.668 20 0 JDADLO CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001503300061 1071517693 /nfs/dbraw/zinc/51/76/93/1071517693.db2.gz QTWNFKTWHPLUCS-MIBPYSDMSA-N 1 2 450.634 1.943 20 0 JDADLO CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001503302095 1071521741 /nfs/dbraw/zinc/52/17/41/1071521741.db2.gz XNYQTEQBEZNBIE-GTJUCTONSA-N 1 2 460.604 1.199 20 0 JDADLO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503317304 1071538663 /nfs/dbraw/zinc/53/86/63/1071538663.db2.gz BLQPPIJLNAVCOF-IPMKNSEASA-N 1 2 463.652 1.504 20 0 JDADLO CCS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001503325264 1071541169 /nfs/dbraw/zinc/54/11/69/1071541169.db2.gz MEIFFHYQCZDRAS-KZNAEPCWSA-N 1 2 474.697 1.721 20 0 JDADLO CCS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001503325266 1071541515 /nfs/dbraw/zinc/54/15/15/1071541515.db2.gz MEIFFHYQCZDRAS-RCCFBDPRSA-N 1 2 474.697 1.721 20 0 JDADLO COC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001504689398 1071545198 /nfs/dbraw/zinc/54/51/98/1071545198.db2.gz XOQJDPJNVVUFHS-RBUKOAKNSA-N 1 2 457.579 1.755 20 0 JDADLO CCSCCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503337613 1071544441 /nfs/dbraw/zinc/54/44/41/1071544441.db2.gz AHVWPLCHNTUZCK-SFHVURJKSA-N 1 2 465.668 1.692 20 0 JDADLO CN(C)C(=O)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001503357343 1071559071 /nfs/dbraw/zinc/55/90/71/1071559071.db2.gz JGUMMUCAGFZRBY-UHFFFAOYSA-N 1 2 498.632 1.731 20 0 JDADLO CN(C)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503361992 1071579748 /nfs/dbraw/zinc/57/97/48/1071579748.db2.gz LFHUQZFQXKTBPK-UHFFFAOYSA-N 1 2 463.546 1.515 20 0 JDADLO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)C[C@H](C)O1 ZINC001504725788 1071593409 /nfs/dbraw/zinc/59/34/09/1071593409.db2.gz DNCLOCNIZUVZSE-BJLQDIEVSA-N 1 2 463.604 1.757 20 0 JDADLO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)C[C@H](C)O1 ZINC001504725800 1071593463 /nfs/dbraw/zinc/59/34/63/1071593463.db2.gz DNCLOCNIZUVZSE-NSHGMRRFSA-N 1 2 463.604 1.757 20 0 JDADLO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)C[C@@H](C)O1 ZINC001504726723 1071595067 /nfs/dbraw/zinc/59/50/67/1071595067.db2.gz HZCWPZDCXJFJGL-SQNIBIBYSA-N 1 2 464.592 1.318 20 0 JDADLO CN(C)C(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001503373246 1071609049 /nfs/dbraw/zinc/60/90/49/1071609049.db2.gz BFLSLGASMRAHEL-QGZVFWFLSA-N 1 2 456.576 1.395 20 0 JDADLO COC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001504739957 1071618202 /nfs/dbraw/zinc/61/82/02/1071618202.db2.gz MKIYXVRMVPOBHC-GHTZIAJQSA-N 1 2 461.563 1.438 20 0 JDADLO COC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001504741690 1071619779 /nfs/dbraw/zinc/61/97/79/1071619779.db2.gz RDDXXMFDBNFRBE-OTWHNJEPSA-N 1 2 463.554 1.957 20 0 JDADLO COCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001504748206 1071625764 /nfs/dbraw/zinc/62/57/64/1071625764.db2.gz CJIVWDBGQHJGLA-SBUREZEXSA-N 1 2 460.579 1.423 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccsc1 ZINC001503379030 1071634099 /nfs/dbraw/zinc/63/40/99/1071634099.db2.gz BQJJUGZMNICNDF-RZQQEMMASA-N 1 2 466.633 1.246 20 0 JDADLO COCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001504751933 1071634461 /nfs/dbraw/zinc/63/44/61/1071634461.db2.gz GXJMBRNHWFRKPB-MHECFPHRSA-N 1 2 471.606 1.225 20 0 JDADLO COCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001504751936 1071634506 /nfs/dbraw/zinc/63/45/06/1071634506.db2.gz GXJMBRNHWFRKPB-UUOWRZLLSA-N 1 2 471.606 1.225 20 0 JDADLO C[NH+](C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 ZINC001503379915 1071635616 /nfs/dbraw/zinc/63/56/16/1071635616.db2.gz NTTZSNGETNENEP-HXUWFJFHSA-N 1 2 495.671 1.702 20 0 JDADLO COCC[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504753130 1071636968 /nfs/dbraw/zinc/63/69/68/1071636968.db2.gz LQOZBCJUUIXNFJ-HSZRJFAPSA-N 1 2 471.562 1.150 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC001503384983 1071642562 /nfs/dbraw/zinc/64/25/62/1071642562.db2.gz YFZILJXDBZSXJC-ZIFCJYIRSA-N 1 2 478.594 1.324 20 0 JDADLO CN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001503388941 1071647396 /nfs/dbraw/zinc/64/73/96/1071647396.db2.gz UEMDPLHJIGYNEL-OWCLPIDISA-N 1 2 452.606 1.217 20 0 JDADLO CN(C)c1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@H](C(N)=O)C2)c[nH+]1 ZINC001503390398 1071650203 /nfs/dbraw/zinc/65/02/03/1071650203.db2.gz LBBKIRYSDKPHLA-SFHVURJKSA-N 1 2 498.613 1.016 20 0 JDADLO CN(C)c1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCNC(=O)CC2)c[nH+]1 ZINC001503390391 1071650278 /nfs/dbraw/zinc/65/02/78/1071650278.db2.gz KRAJWJNXNROAJW-UHFFFAOYSA-N 1 2 473.379 1.882 20 0 JDADLO CN(C)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCNS(C)(=O)=O)c[nH+]1 ZINC001503391508 1071651506 /nfs/dbraw/zinc/65/15/06/1071651506.db2.gz BRDRBUZEAVFXFY-UHFFFAOYSA-N 1 2 464.983 1.488 20 0 JDADLO CN(C)c1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001503394650 1071653861 /nfs/dbraw/zinc/65/38/61/1071653861.db2.gz VRXFTNXWVRALNA-UHFFFAOYSA-N 1 2 484.605 1.838 20 0 JDADLO CN(C)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c[nH+]1 ZINC001503394690 1071653897 /nfs/dbraw/zinc/65/38/97/1071653897.db2.gz WQPXUQBGBWDIRL-CVEARBPZSA-N 1 2 467.496 1.796 20 0 JDADLO CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(C)(C)C)C2)c[nH+]1 ZINC001503394973 1071654413 /nfs/dbraw/zinc/65/44/13/1071654413.db2.gz VGLDRQHYONOGTK-RBUKOAKNSA-N 1 2 491.662 1.993 20 0 JDADLO CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(C)(C)C)C2)c[nH+]1 ZINC001503394974 1071654445 /nfs/dbraw/zinc/65/44/45/1071654445.db2.gz VGLDRQHYONOGTK-RTBURBONSA-N 1 2 491.662 1.993 20 0 JDADLO COCCc1noc(CN(C)c2nnc(CC(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)n1 ZINC001504776280 1071666772 /nfs/dbraw/zinc/66/67/72/1071666772.db2.gz QFMKXJSXPVCZBT-UHFFFAOYSA-N 1 2 462.599 1.239 20 0 JDADLO COCC[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504781363 1071670026 /nfs/dbraw/zinc/67/00/26/1071670026.db2.gz WDNQBYXZHIGFEC-XUZZJYLKSA-N 1 2 478.638 1.346 20 0 JDADLO COCC[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001504791705 1071674671 /nfs/dbraw/zinc/67/46/71/1071674671.db2.gz ZHDKVBDBDQLIDX-AABGKKOBSA-N 1 2 451.612 1.976 20 0 JDADLO COCC[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001504791705 1071674676 /nfs/dbraw/zinc/67/46/76/1071674676.db2.gz ZHDKVBDBDQLIDX-AABGKKOBSA-N 1 2 451.612 1.976 20 0 JDADLO COCC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC001504782227 1071670508 /nfs/dbraw/zinc/67/05/08/1071670508.db2.gz RUKJCGYRYJWKDO-MOPGFXCFSA-N 1 2 471.606 1.948 20 0 JDADLO COCC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC001504782234 1071671102 /nfs/dbraw/zinc/67/11/02/1071671102.db2.gz RUKJCGYRYJWKDO-OALUTQOASA-N 1 2 471.606 1.948 20 0 JDADLO CN(C)S(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503407480 1071683939 /nfs/dbraw/zinc/68/39/39/1071683939.db2.gz GJVYBRCQIXYOPB-UHFFFAOYSA-N 1 2 473.578 1.621 20 0 JDADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCOC2)CC1 ZINC001504830859 1071715208 /nfs/dbraw/zinc/71/52/08/1071715208.db2.gz HJXNKHSBKPILOA-CPJSRVTESA-N 1 2 486.617 1.068 20 0 JDADLO COCCCn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504828083 1071711158 /nfs/dbraw/zinc/71/11/58/1071711158.db2.gz RHGZBSDEPILIPB-JOCHJYFZSA-N 1 2 457.623 1.532 20 0 JDADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCOC2)CC1 ZINC001504830860 1071715122 /nfs/dbraw/zinc/71/51/22/1071715122.db2.gz HJXNKHSBKPILOA-NBGIEHNGSA-N 1 2 486.617 1.068 20 0 JDADLO COCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504832633 1071724601 /nfs/dbraw/zinc/72/46/01/1071724601.db2.gz BTLMXQJRVOWNEJ-HDICACEKSA-N 1 2 452.600 1.854 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001503438102 1071745274 /nfs/dbraw/zinc/74/52/74/1071745274.db2.gz ATSMKEBXBUIYLR-HSZRJFAPSA-N 1 2 493.678 1.073 20 0 JDADLO CN(CC(C)(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn2ccccc2[nH+]1 ZINC001503449384 1071770667 /nfs/dbraw/zinc/77/06/67/1071770667.db2.gz ZDRQTSOFMWAAEE-GOSISDBHSA-N 1 2 475.619 1.984 20 0 JDADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(C)(C)O ZINC001503449756 1071771917 /nfs/dbraw/zinc/77/19/17/1071771917.db2.gz YGNBQDNIDTWZET-IRXDYDNUSA-N 1 2 462.620 1.961 20 0 JDADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(C)(C)O ZINC001503449754 1071771952 /nfs/dbraw/zinc/77/19/52/1071771952.db2.gz YGNBQDNIDTWZET-DLBZAZTESA-N 1 2 462.620 1.961 20 0 JDADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(C3CCCC3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001504860380 1071793417 /nfs/dbraw/zinc/79/34/17/1071793417.db2.gz IBEHQGCQTOXGNC-PZJWPPBQSA-N 1 2 498.694 1.533 20 0 JDADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001504862232 1071801571 /nfs/dbraw/zinc/80/15/71/1071801571.db2.gz SNZKVGACKSYIPV-IBGZPJMESA-N 1 2 477.635 1.542 20 0 JDADLO CN(Cc1ccccc1)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503482947 1071801894 /nfs/dbraw/zinc/80/18/94/1071801894.db2.gz NTFISRIWWAKWCX-HXUWFJFHSA-N 1 2 488.658 1.759 20 0 JDADLO COCCN(c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1)[C@H]1CC[C@H](C)C1 ZINC001504870249 1071804870 /nfs/dbraw/zinc/80/48/70/1071804870.db2.gz WDXQHVHYTKQSJP-NNWRFLSQSA-N 1 2 462.639 1.978 20 0 JDADLO COCCN(CC(C)C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504881034 1071809036 /nfs/dbraw/zinc/80/90/36/1071809036.db2.gz LPJRTRYNQOJZJY-UHFFFAOYSA-N 1 2 496.616 1.867 20 0 JDADLO COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504892888 1071817104 /nfs/dbraw/zinc/81/71/04/1071817104.db2.gz VNZFKSVVFIETEF-OAQYLSRUSA-N 1 2 488.633 1.840 20 0 JDADLO COCCn1c(COc2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504895946 1071821665 /nfs/dbraw/zinc/82/16/65/1071821665.db2.gz KLONIJWAYWLBBX-HXUWFJFHSA-N 1 2 476.597 1.874 20 0 JDADLO COCCN1C[C@H](Cn2c(CC(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)CC1=O ZINC001504906873 1071851010 /nfs/dbraw/zinc/85/10/10/1071851010.db2.gz QYHYCHHVTYIWOK-LJQANCHMSA-N 1 2 456.595 1.397 20 0 JDADLO COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC(C)(C)C2)CC1 ZINC001504914574 1071874934 /nfs/dbraw/zinc/87/49/34/1071874934.db2.gz DLOQGWMJDVHXRL-UHFFFAOYSA-N 1 2 458.607 1.833 20 0 JDADLO C[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1)Cc1ccc(F)cc1 ZINC001503610576 1071894359 /nfs/dbraw/zinc/89/43/59/1071894359.db2.gz HZXYAVQTACVWBT-RTBURBONSA-N 1 2 492.621 1.543 20 0 JDADLO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1)Cc1ccc(F)cc1 ZINC001503610576 1071894361 /nfs/dbraw/zinc/89/43/61/1071894361.db2.gz HZXYAVQTACVWBT-RTBURBONSA-N 1 2 492.621 1.543 20 0 JDADLO C[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1)Cc1ccc(F)cc1 ZINC001503610575 1071894416 /nfs/dbraw/zinc/89/44/16/1071894416.db2.gz HZXYAVQTACVWBT-RBUKOAKNSA-N 1 2 492.621 1.543 20 0 JDADLO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1)Cc1ccc(F)cc1 ZINC001503610575 1071894418 /nfs/dbraw/zinc/89/44/18/1071894418.db2.gz HZXYAVQTACVWBT-RBUKOAKNSA-N 1 2 492.621 1.543 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(F)cn1 ZINC001503618098 1071903955 /nfs/dbraw/zinc/90/39/55/1071903955.db2.gz FJJRGWRGPHEKAB-UHFFFAOYSA-N 1 2 474.562 1.699 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001503618570 1071905689 /nfs/dbraw/zinc/90/56/89/1071905689.db2.gz KFMQILIJOWTMMK-UHFFFAOYSA-N 1 2 484.626 1.625 20 0 JDADLO CN(C)S(=O)(=O)c1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503617705 1071902894 /nfs/dbraw/zinc/90/28/94/1071902894.db2.gz BQSDKOXXAKMXOC-UHFFFAOYSA-N 1 2 499.641 1.331 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl ZINC001503619007 1071907586 /nfs/dbraw/zinc/90/75/86/1071907586.db2.gz CCTOKOPSAPWPEC-GCJKJVERSA-N 1 2 462.982 1.559 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCNC(=O)C(C)(C)C ZINC001503618903 1071907719 /nfs/dbraw/zinc/90/77/19/1071907719.db2.gz AMRRZBDTRPQNHV-UHFFFAOYSA-N 1 2 496.616 1.123 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)COCCO1 ZINC001503619108 1071908073 /nfs/dbraw/zinc/90/80/73/1071908073.db2.gz RTAJLVBQQKAANQ-FQEVSTJZSA-N 1 2 483.411 1.620 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC1CCCCC1 ZINC001503619387 1071908415 /nfs/dbraw/zinc/90/84/15/1071908415.db2.gz WWWKDSAKDMGWKU-UHFFFAOYSA-N 1 2 484.605 1.533 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001503620001 1071909846 /nfs/dbraw/zinc/90/98/46/1071909846.db2.gz WLZOQDUQAJAWPS-QGZVFWFLSA-N 1 2 473.544 1.272 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001503620259 1071910588 /nfs/dbraw/zinc/91/05/88/1071910588.db2.gz RMOTUFGUAJQTRB-INIZCTEOSA-N 1 2 483.495 1.382 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 ZINC001503621055 1071913676 /nfs/dbraw/zinc/91/36/76/1071913676.db2.gz LUROVUAKYGDPNY-ZCNNSNEGSA-N 1 2 494.637 1.623 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O ZINC001503620063 1071910911 /nfs/dbraw/zinc/91/09/11/1071910911.db2.gz NWGASNUQSHUGIA-UHFFFAOYSA-N 1 2 487.424 1.025 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001503620094 1071910927 /nfs/dbraw/zinc/91/09/27/1071910927.db2.gz PDPSSKQLLDRUOK-UHFFFAOYSA-N 1 2 473.603 1.040 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001503620263 1071910979 /nfs/dbraw/zinc/91/09/79/1071910979.db2.gz RQADXZIIJBDXIB-LJQANCHMSA-N 1 2 467.549 1.592 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001503620361 1071911491 /nfs/dbraw/zinc/91/14/91/1071911491.db2.gz WHDFUYJYGQJLGX-SFHVURJKSA-N 1 2 472.594 1.903 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCOCC1 ZINC001503620431 1071911574 /nfs/dbraw/zinc/91/15/74/1071911574.db2.gz ZKKCIXCQLZXMRX-UHFFFAOYSA-N 1 2 462.982 1.616 20 0 JDADLO COCCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001504925222 1071912136 /nfs/dbraw/zinc/91/21/36/1071912136.db2.gz BMPITJJFXGIZNG-FQEVSTJZSA-N 1 2 488.658 1.895 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001503621308 1071915384 /nfs/dbraw/zinc/91/53/84/1071915384.db2.gz NXOGUGAJGCBXOM-QGZVFWFLSA-N 1 2 473.544 1.053 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS1 ZINC001503621430 1071916788 /nfs/dbraw/zinc/91/67/88/1071916788.db2.gz OXKAYBZOJFKNFN-INIZCTEOSA-N 1 2 450.634 1.934 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CCNc1ncc(Cl)cc1Cl ZINC001503621798 1071918575 /nfs/dbraw/zinc/91/85/75/1071918575.db2.gz TWZRTSGIRGEKOO-UHFFFAOYSA-N 1 2 497.431 1.983 20 0 JDADLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1CC[S@](=O)C(C)(C)C ZINC001503623017 1071924819 /nfs/dbraw/zinc/92/48/19/1071924819.db2.gz QRBBOSROANITQP-HKBQPEDESA-N 1 2 451.641 1.773 20 0 JDADLO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1CC[S@](=O)C(C)(C)C ZINC001503623017 1071924836 /nfs/dbraw/zinc/92/48/36/1071924836.db2.gz QRBBOSROANITQP-HKBQPEDESA-N 1 2 451.641 1.773 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001504928266 1071927029 /nfs/dbraw/zinc/92/70/29/1071927029.db2.gz ADTIUOQWQVQROH-SLFFLAALSA-N 1 2 464.655 1.955 20 0 JDADLO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001503624447 1071931856 /nfs/dbraw/zinc/93/18/56/1071931856.db2.gz VYCARZQWPZVMKQ-GOSISDBHSA-N 1 2 490.634 1.038 20 0 JDADLO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504930464 1071934471 /nfs/dbraw/zinc/93/44/71/1071934471.db2.gz JIBQIUFBQYEHNK-CTNGQTDRSA-N 1 2 477.654 1.008 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001504931512 1071938407 /nfs/dbraw/zinc/93/84/07/1071938407.db2.gz CPRSWYGDDIRREQ-QHCPKHFHSA-N 1 2 470.618 1.947 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)C)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001504934365 1071951071 /nfs/dbraw/zinc/95/10/71/1071951071.db2.gz WVAWGQLWZGOHEG-VAMGGRTRSA-N 1 2 450.628 1.565 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)C)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001504934361 1071951115 /nfs/dbraw/zinc/95/11/15/1071951115.db2.gz WVAWGQLWZGOHEG-HSALFYBXSA-N 1 2 450.628 1.565 20 0 JDADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)c[nH+]1 ZINC001503644258 1071962595 /nfs/dbraw/zinc/96/25/95/1071962595.db2.gz ALHVIVJVVYHXJB-UHFFFAOYSA-N 1 2 454.579 1.897 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001504937474 1071968395 /nfs/dbraw/zinc/96/83/95/1071968395.db2.gz GVNPCHPCLGMZEA-IBGZPJMESA-N 1 2 488.608 1.708 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001504937477 1071968893 /nfs/dbraw/zinc/96/88/93/1071968893.db2.gz GVNPCHPCLGMZEA-LJQANCHMSA-N 1 2 488.608 1.708 20 0 JDADLO COCCn1c(=O)[nH]c(=O)c(NCc2ccccc2)c1NC(=O)C=C(C)C[NH+]1CCOCC1 ZINC001546284368 1071970311 /nfs/dbraw/zinc/97/03/11/1071970311.db2.gz SIVBPIJSHHBQSB-VKAVYKQESA-N 1 2 457.531 1.424 20 0 JDADLO COCCNC(=O)CN1CCN(c2nnc(C(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001504937951 1071971240 /nfs/dbraw/zinc/97/12/40/1071971240.db2.gz SHLWCKZPIQUKTE-UHFFFAOYSA-N 1 2 484.580 1.659 20 0 JDADLO COCCO[C@@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001504942929 1071985558 /nfs/dbraw/zinc/98/55/58/1071985558.db2.gz RPMRPGOPZOYUCG-RXVVDRJESA-N 1 2 477.631 1.684 20 0 JDADLO COCCO[C@@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001504942929 1071985566 /nfs/dbraw/zinc/98/55/66/1071985566.db2.gz RPMRPGOPZOYUCG-RXVVDRJESA-N 1 2 477.631 1.684 20 0 JDADLO COCCO[C@@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001504942927 1071985669 /nfs/dbraw/zinc/98/56/69/1071985669.db2.gz RPMRPGOPZOYUCG-GHTZIAJQSA-N 1 2 477.631 1.684 20 0 JDADLO COCCO[C@@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001504942927 1071985671 /nfs/dbraw/zinc/98/56/71/1071985671.db2.gz RPMRPGOPZOYUCG-GHTZIAJQSA-N 1 2 477.631 1.684 20 0 JDADLO Cn1cccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCS(C)(=O)=O ZINC001503669594 1071996958 /nfs/dbraw/zinc/99/69/58/1071996958.db2.gz BVDBDGGEBSVDSS-UHFFFAOYSA-N 1 2 478.541 1.419 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504949519 1071993865 /nfs/dbraw/zinc/99/38/65/1071993865.db2.gz ZVMOICLNIIFWDS-SFHVURJKSA-N 1 2 466.627 1.560 20 0 JDADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001504949868 1071994428 /nfs/dbraw/zinc/99/44/28/1071994428.db2.gz KFUHVDBJQHIPNK-GBESFXJTSA-N 1 2 460.579 1.896 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001504961731 1072007365 /nfs/dbraw/zinc/00/73/65/1072007365.db2.gz ZKYFLYZMPXEYIT-HKUYNNGSSA-N 1 2 457.579 1.747 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001504969115 1072017986 /nfs/dbraw/zinc/01/79/86/1072017986.db2.gz YMIDUDUKBNALQT-MBSDFSHPSA-N 1 2 496.678 1.315 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001504969116 1072018050 /nfs/dbraw/zinc/01/80/50/1072018050.db2.gz YMIDUDUKBNALQT-WZONZLPQSA-N 1 2 496.678 1.315 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001504969154 1072018087 /nfs/dbraw/zinc/01/80/87/1072018087.db2.gz BMNUUBQZYXULLM-KURKYZTESA-N 1 2 466.608 1.708 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504970110 1072020343 /nfs/dbraw/zinc/02/03/43/1072020343.db2.gz XQAUPJSDKKEATI-VGOFRKELSA-N 1 2 478.619 1.526 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001504971626 1072023095 /nfs/dbraw/zinc/02/30/95/1072023095.db2.gz FBGMKPMDSDMGGU-ZWKOTPCHSA-N 1 2 453.584 1.502 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001504971626 1072023110 /nfs/dbraw/zinc/02/31/10/1072023110.db2.gz FBGMKPMDSDMGGU-ZWKOTPCHSA-N 1 2 453.584 1.502 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001504984968 1072034963 /nfs/dbraw/zinc/03/49/63/1072034963.db2.gz SJAXVJJUFRCZLX-LJQANCHMSA-N 1 2 487.605 1.341 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001504984917 1072034368 /nfs/dbraw/zinc/03/43/68/1072034368.db2.gz QAAMSJDIOHWMLW-GOSISDBHSA-N 1 2 490.571 1.941 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001503696765 1072037279 /nfs/dbraw/zinc/03/72/79/1072037279.db2.gz FOQGTWPSZYOUJX-FQEVSTJZSA-N 1 2 454.623 1.717 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001504987232 1072038704 /nfs/dbraw/zinc/03/87/04/1072038704.db2.gz INKIYYLYRFUYRB-OALUTQOASA-N 1 2 487.605 1.339 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001504987428 1072039664 /nfs/dbraw/zinc/03/96/64/1072039664.db2.gz JNGXDLRPIGQXAB-CBPXPLCBSA-N 1 2 492.665 1.808 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001504987431 1072039692 /nfs/dbraw/zinc/03/96/92/1072039692.db2.gz JNGXDLRPIGQXAB-GXRSIYKFSA-N 1 2 492.665 1.808 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001504990681 1072049606 /nfs/dbraw/zinc/04/96/06/1072049606.db2.gz XCIHTSKAZADMCJ-GOSISDBHSA-N 1 2 457.579 1.714 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504991086 1072051372 /nfs/dbraw/zinc/05/13/72/1072051372.db2.gz YPFCVDSNYLXZQR-KZNAEPCWSA-N 1 2 478.560 1.796 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504991086 1072051379 /nfs/dbraw/zinc/05/13/79/1072051379.db2.gz YPFCVDSNYLXZQR-KZNAEPCWSA-N 1 2 478.560 1.796 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504992069 1072055674 /nfs/dbraw/zinc/05/56/74/1072055674.db2.gz XKUQDJSJOPJAHM-QUCCMNQESA-N 1 2 487.605 1.339 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@H]1COCCO1 ZINC001504993892 1072061361 /nfs/dbraw/zinc/06/13/61/1072061361.db2.gz FTMZNXNYFUDXIA-GHTZIAJQSA-N 1 2 463.554 1.879 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@H]1COCCO1 ZINC001504993895 1072061375 /nfs/dbraw/zinc/06/13/75/1072061375.db2.gz FTMZNXNYFUDXIA-WIYYLYMNSA-N 1 2 463.554 1.879 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CC(=O)N(C)C ZINC001504994309 1072061712 /nfs/dbraw/zinc/06/17/12/1072061712.db2.gz HKMLJYFCHMGUJX-OAHLLOKOSA-N 1 2 451.597 1.177 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001504995865 1072066399 /nfs/dbraw/zinc/06/63/99/1072066399.db2.gz VYRWZSAQCHNMLC-ZWKOTPCHSA-N 1 2 457.579 1.638 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504997422 1072070899 /nfs/dbraw/zinc/07/08/99/1072070899.db2.gz XYFATPHHVACHLC-SJORKVTESA-N 1 2 464.533 1.407 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504997422 1072070904 /nfs/dbraw/zinc/07/09/04/1072070904.db2.gz XYFATPHHVACHLC-SJORKVTESA-N 1 2 464.533 1.407 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001504997570 1072071570 /nfs/dbraw/zinc/07/15/70/1072071570.db2.gz YIWDDMDLBOFZET-VAMGGRTRSA-N 1 2 485.651 1.128 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001505004301 1072084939 /nfs/dbraw/zinc/08/49/39/1072084939.db2.gz WIBFGGKLXIAKHX-SFHVURJKSA-N 1 2 474.587 1.530 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CC[C@@H](OC)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001505005981 1072086482 /nfs/dbraw/zinc/08/64/82/1072086482.db2.gz DXCYPFPUIOVCQP-UEXGIBASSA-N 1 2 455.625 1.435 20 0 JDADLO COCCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001505031056 1072123879 /nfs/dbraw/zinc/12/38/79/1072123879.db2.gz GSKGLEPYOIIBOT-KURKYZTESA-N 1 2 483.660 1.786 20 0 JDADLO COCCO[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001505046203 1072143038 /nfs/dbraw/zinc/14/30/38/1072143038.db2.gz SNUHGYMDCBTBTL-SFTDATJTSA-N 1 2 461.611 1.492 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC(N)=O)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001505056289 1072158175 /nfs/dbraw/zinc/15/81/75/1072158175.db2.gz GTSIKUZYWALREM-MMOPVJDHSA-N 1 2 453.547 1.936 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001505057889 1072160382 /nfs/dbraw/zinc/16/03/82/1072160382.db2.gz KYWKJLPVRDMNBI-FYWNSEOBSA-N 1 2 478.638 1.606 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccco2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505055744 1072157402 /nfs/dbraw/zinc/15/74/02/1072157402.db2.gz CFRSQSNFGTYSOC-LMNJBCLMSA-N 1 2 460.579 1.957 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001505066036 1072168157 /nfs/dbraw/zinc/16/81/57/1072168157.db2.gz NEDDBCIQIFKUCS-OTWHNJEPSA-N 1 2 451.612 1.974 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001505066036 1072168163 /nfs/dbraw/zinc/16/81/63/1072168163.db2.gz NEDDBCIQIFKUCS-OTWHNJEPSA-N 1 2 451.612 1.974 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(=O)OC)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001505068859 1072174352 /nfs/dbraw/zinc/17/43/52/1072174352.db2.gz QVXDBPZTQVPZHF-SQNIBIBYSA-N 1 2 451.568 1.112 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(=O)OC)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001505068859 1072174359 /nfs/dbraw/zinc/17/43/59/1072174359.db2.gz QVXDBPZTQVPZHF-SQNIBIBYSA-N 1 2 451.568 1.112 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001505073170 1072183343 /nfs/dbraw/zinc/18/33/43/1072183343.db2.gz QGPZGAIXIQAXTP-CUWPLCDZSA-N 1 2 464.611 1.170 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001505073173 1072183711 /nfs/dbraw/zinc/18/37/11/1072183711.db2.gz QGPZGAIXIQAXTP-LMNJBCLMSA-N 1 2 464.611 1.170 20 0 JDADLO 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JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CCCO)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505083068 1072215960 /nfs/dbraw/zinc/21/59/60/1072215960.db2.gz SILMAWBSUHMRJG-VXKWHMMOSA-N 1 2 478.638 1.155 20 0 JDADLO CO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001505099807 1072235176 /nfs/dbraw/zinc/23/51/76/1072235176.db2.gz RNNKAPRIAVWXKA-VBQJREDUSA-N 1 2 472.562 1.695 20 0 JDADLO CS(=O)(=O)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2cccc[nH+]2)C1 ZINC001505127993 1072290476 /nfs/dbraw/zinc/29/04/76/1072290476.db2.gz RVTGBYNPDSMNJY-MRXNPFEDSA-N 1 2 489.627 1.790 20 0 JDADLO CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)C1 ZINC001505128924 1072293027 /nfs/dbraw/zinc/29/30/27/1072293027.db2.gz HYNKRCNXCOZATM-IAGOWNOFSA-N 1 2 482.632 1.091 20 0 JDADLO CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)C1 ZINC001505128923 1072293048 /nfs/dbraw/zinc/29/30/48/1072293048.db2.gz HYNKRCNXCOZATM-DLBZAZTESA-N 1 2 482.632 1.091 20 0 JDADLO CS(=O)(=O)CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1)C1CC1 ZINC001505133674 1072310406 /nfs/dbraw/zinc/31/04/06/1072310406.db2.gz WYLZBQMULNVOOT-QGZVFWFLSA-N 1 2 473.665 1.070 20 0 JDADLO CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001505134613 1072315092 /nfs/dbraw/zinc/31/50/92/1072315092.db2.gz IRFXDQHLBKQQAO-OAHLLOKOSA-N 1 2 469.530 1.265 20 0 JDADLO CS(=O)(=O)CCOCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001505136284 1072321314 /nfs/dbraw/zinc/32/13/14/1072321314.db2.gz BOIIVWCDVZTBBU-LJQANCHMSA-N 1 2 498.049 1.819 20 0 JDADLO CS(=O)(=O)NC1CCN(c2nnc(Cc3cccnc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001505140475 1072344644 /nfs/dbraw/zinc/34/46/44/1072344644.db2.gz PKCVMGLFYBDCHV-UHFFFAOYSA-N 1 2 470.603 1.679 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@](C)(O)c3ccc(F)cc3)cc2)CC1 ZINC001464743142 1067645090 /nfs/dbraw/zinc/64/50/90/1067645090.db2.gz BPCLSOKSXHYGGZ-RUZDIDTESA-N 1 2 457.546 1.935 20 0 JDADLO CC(C)N1C(=S)N=NC1C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001464884704 1067684078 /nfs/dbraw/zinc/68/40/78/1067684078.db2.gz OZDCOGOHLJVGPR-KRWDZBQOSA-N 1 2 450.609 1.034 20 0 JDADLO Nc1c(I)cccc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001464890820 1067687367 /nfs/dbraw/zinc/68/73/67/1067687367.db2.gz FNDMVYYBBFEGEU-UHFFFAOYSA-N 1 2 456.328 1.644 20 0 JDADLO Nc1c(I)cccc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001464890820 1067687374 /nfs/dbraw/zinc/68/73/74/1067687374.db2.gz FNDMVYYBBFEGEU-UHFFFAOYSA-N 1 2 456.328 1.644 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC001464904839 1067694401 /nfs/dbraw/zinc/69/44/01/1067694401.db2.gz LNZMWJQCLIPMIE-MRXNPFEDSA-N 1 2 459.362 1.156 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001464905619 1067695410 /nfs/dbraw/zinc/69/54/10/1067695410.db2.gz OGHJTPHTINSESZ-QGZVFWFLSA-N 1 2 456.008 1.817 20 0 JDADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001464907085 1067696526 /nfs/dbraw/zinc/69/65/26/1067696526.db2.gz YIUZJFLWCJJPMV-LJQANCHMSA-N 1 2 451.589 1.315 20 0 JDADLO CCCCNS(=O)(=O)c1cccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001464950803 1067710660 /nfs/dbraw/zinc/71/06/60/1067710660.db2.gz LHWOJTYFDGZSJR-UHFFFAOYSA-N 1 2 450.565 1.938 20 0 JDADLO CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC2)cc1 ZINC001464959480 1067714541 /nfs/dbraw/zinc/71/45/41/1067714541.db2.gz XRBNKMFKNRUIGP-LJQANCHMSA-N 1 2 450.649 1.963 20 0 JDADLO CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC001464966523 1067716364 /nfs/dbraw/zinc/71/63/64/1067716364.db2.gz NAZOCNZWIWPGAR-SFHVURJKSA-N 1 2 456.609 1.491 20 0 JDADLO CN(C)C(=O)c1cccc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC001464980869 1067719073 /nfs/dbraw/zinc/71/90/73/1067719073.db2.gz SRVQUUIBKXCPBH-IBGZPJMESA-N 1 2 453.547 1.806 20 0 JDADLO CN(C)C(=O)c1cccc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC001464980869 1067719085 /nfs/dbraw/zinc/71/90/85/1067719085.db2.gz SRVQUUIBKXCPBH-IBGZPJMESA-N 1 2 453.547 1.806 20 0 JDADLO CCOc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1S(=O)(=O)N1CCCC1 ZINC001465048738 1067733916 /nfs/dbraw/zinc/73/39/16/1067733916.db2.gz BDURZDKKMNBGCX-HDICACEKSA-N 1 2 452.577 1.855 20 0 JDADLO CCOc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1S(=O)(=O)N1CCCC1 ZINC001465048738 1067733925 /nfs/dbraw/zinc/73/39/25/1067733925.db2.gz BDURZDKKMNBGCX-HDICACEKSA-N 1 2 452.577 1.855 20 0 JDADLO C[C@H](NC(=O)CCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(=O)c1ccc(Br)cc1 ZINC001465080463 1067740158 /nfs/dbraw/zinc/74/01/58/1067740158.db2.gz ZIEADCKBKQAEEZ-YOEHRIQHSA-N 1 2 453.381 1.279 20 0 JDADLO C[C@H](NC(=O)CCC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(=O)c1ccc(Br)cc1 ZINC001465080463 1067740169 /nfs/dbraw/zinc/74/01/69/1067740169.db2.gz ZIEADCKBKQAEEZ-YOEHRIQHSA-N 1 2 453.381 1.279 20 0 JDADLO C[S@@](=O)C1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001465273360 1067770951 /nfs/dbraw/zinc/77/09/51/1067770951.db2.gz IYCPXQWJSSBXJZ-WJOKGBTCSA-N 1 2 457.637 1.705 20 0 JDADLO C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC001465307708 1067777384 /nfs/dbraw/zinc/77/73/84/1067777384.db2.gz JVNSOFVAUCAECJ-OFVILXPXSA-N 1 2 450.539 1.513 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](C)Cn3cc[nH+]c3)CC2)cc1OC ZINC001465315032 1067778454 /nfs/dbraw/zinc/77/84/54/1067778454.db2.gz XIRBDLKDGYESPL-MRXNPFEDSA-N 1 2 450.561 1.754 20 0 JDADLO CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001465371529 1067788648 /nfs/dbraw/zinc/78/86/48/1067788648.db2.gz MPFPCOCNRMNREC-UHFFFAOYSA-N 1 2 453.547 1.562 20 0 JDADLO CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001465371529 1067788660 /nfs/dbraw/zinc/78/86/60/1067788660.db2.gz MPFPCOCNRMNREC-UHFFFAOYSA-N 1 2 453.547 1.562 20 0 JDADLO O=C(Nc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1)c1ccc(F)cc1 ZINC001465380083 1067791046 /nfs/dbraw/zinc/79/10/46/1067791046.db2.gz UZXKSAFOULLHJT-NRFANRHFSA-N 1 2 454.502 1.741 20 0 JDADLO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465380116 1067791736 /nfs/dbraw/zinc/79/17/36/1067791736.db2.gz WFBBEUPKYAGAEZ-GOSISDBHSA-N 1 2 457.527 1.092 20 0 JDADLO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1c(F)cccc1F ZINC001465397893 1067795243 /nfs/dbraw/zinc/79/52/43/1067795243.db2.gz CIHQCXGJASRFSH-GOSISDBHSA-N 1 2 450.490 1.967 20 0 JDADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC001465446621 1067801385 /nfs/dbraw/zinc/80/13/85/1067801385.db2.gz LMSPJFJIHXZDOY-HSZRJFAPSA-N 1 2 457.575 1.762 20 0 JDADLO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC001465528793 1067808163 /nfs/dbraw/zinc/80/81/63/1067808163.db2.gz YYUSGQIDJCWUFG-BTYIYWSLSA-N 1 2 452.914 1.569 20 0 JDADLO C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1CNC(=O)OC(C)(C)C ZINC001465599750 1067814107 /nfs/dbraw/zinc/81/41/07/1067814107.db2.gz HTTGBFGBPGDVLL-QYZOEREBSA-N 1 2 452.596 1.319 20 0 JDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001465702468 1067821644 /nfs/dbraw/zinc/82/16/44/1067821644.db2.gz JPWVOQMDENMRNP-SFHVURJKSA-N 1 2 453.539 1.677 20 0 JDADLO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001465739661 1067824891 /nfs/dbraw/zinc/82/48/91/1067824891.db2.gz HTYJFNOEAUWVAG-QGZVFWFLSA-N 1 2 450.565 1.094 20 0 JDADLO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001465739660 1067824960 /nfs/dbraw/zinc/82/49/60/1067824960.db2.gz HTYJFNOEAUWVAG-KRWDZBQOSA-N 1 2 450.565 1.094 20 0 JDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001465741758 1067825153 /nfs/dbraw/zinc/82/51/53/1067825153.db2.gz OTAKETDSLQRPKT-GOSISDBHSA-N 1 2 450.902 1.935 20 0 JDADLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)C2=O ZINC001465781966 1067829635 /nfs/dbraw/zinc/82/96/35/1067829635.db2.gz LKWUSEDPADPNNS-MCFFVMPBSA-N 1 2 451.568 1.154 20 0 JDADLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)C2=O ZINC001465781966 1067829638 /nfs/dbraw/zinc/82/96/38/1067829638.db2.gz LKWUSEDPADPNNS-MCFFVMPBSA-N 1 2 451.568 1.154 20 0 JDADLO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001465782294 1067829797 /nfs/dbraw/zinc/82/97/97/1067829797.db2.gz SILOBCMYSIEFAX-QGZVFWFLSA-N 1 2 452.577 1.290 20 0 JDADLO C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001465782294 1067829798 /nfs/dbraw/zinc/82/97/98/1067829798.db2.gz SILOBCMYSIEFAX-QGZVFWFLSA-N 1 2 452.577 1.290 20 0 JDADLO C[N@@H+]1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781975 1067829908 /nfs/dbraw/zinc/82/99/08/1067829908.db2.gz LSBFMTCGVOJAGR-CQSZACIVSA-N 1 2 458.606 1.093 20 0 JDADLO C[N@H+]1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001465781975 1067829909 /nfs/dbraw/zinc/82/99/09/1067829909.db2.gz LSBFMTCGVOJAGR-CQSZACIVSA-N 1 2 458.606 1.093 20 0 JDADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cnn(CC(=O)NCCOC)c2)[C@H](C)C1 ZINC001465806192 1067832857 /nfs/dbraw/zinc/83/28/57/1067832857.db2.gz AAIOGSNCGKOHNB-GOSISDBHSA-N 1 2 458.563 1.783 20 0 JDADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cnn(CC(=O)NCCOC)c2)[C@H](C)C1 ZINC001465806192 1067832858 /nfs/dbraw/zinc/83/28/58/1067832858.db2.gz AAIOGSNCGKOHNB-GOSISDBHSA-N 1 2 458.563 1.783 20 0 JDADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001465852376 1067836213 /nfs/dbraw/zinc/83/62/13/1067836213.db2.gz DQDKGPFZKKPNQK-FPOVZHCZSA-N 1 2 451.589 1.098 20 0 JDADLO C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCOCC1 ZINC001465852919 1067836494 /nfs/dbraw/zinc/83/64/94/1067836494.db2.gz RJBQYPQDBKSMOU-RTBURBONSA-N 1 2 455.596 1.646 20 0 JDADLO O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001465852932 1067836503 /nfs/dbraw/zinc/83/65/03/1067836503.db2.gz RRJWRKQQMYFFOM-VQTJNVASSA-N 1 2 451.589 1.037 20 0 JDADLO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC001465852594 1067836601 /nfs/dbraw/zinc/83/66/01/1067836601.db2.gz HUYTYAGWAHFOLH-KRWDZBQOSA-N 1 2 457.568 1.418 20 0 JDADLO O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001465852930 1067836634 /nfs/dbraw/zinc/83/66/34/1067836634.db2.gz RRJWRKQQMYFFOM-PMACEKPBSA-N 1 2 451.589 1.037 20 0 JDADLO C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001465882802 1067839117 /nfs/dbraw/zinc/83/91/17/1067839117.db2.gz ZFZXAHRNIFRPOC-BFUOFWGJSA-N 1 2 459.528 1.518 20 0 JDADLO C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001465882802 1067839121 /nfs/dbraw/zinc/83/91/21/1067839121.db2.gz ZFZXAHRNIFRPOC-BFUOFWGJSA-N 1 2 459.528 1.518 20 0 JDADLO C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001465882804 1067839198 /nfs/dbraw/zinc/83/91/98/1067839198.db2.gz ZFZXAHRNIFRPOC-ORAYPTAESA-N 1 2 459.528 1.518 20 0 JDADLO C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001465882804 1067839202 /nfs/dbraw/zinc/83/92/02/1067839202.db2.gz ZFZXAHRNIFRPOC-ORAYPTAESA-N 1 2 459.528 1.518 20 0 JDADLO CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C1=O ZINC001465920188 1067843503 /nfs/dbraw/zinc/84/35/03/1067843503.db2.gz IBYDHGCYQAGJBA-IBGZPJMESA-N 1 2 450.499 1.488 20 0 JDADLO CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C1=O ZINC001465920188 1067843505 /nfs/dbraw/zinc/84/35/05/1067843505.db2.gz IBYDHGCYQAGJBA-IBGZPJMESA-N 1 2 450.499 1.488 20 0 JDADLO COc1c(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cccc1C(N)=O ZINC001465990557 1067849537 /nfs/dbraw/zinc/84/95/37/1067849537.db2.gz UPLMACRGODQJPM-OAHLLOKOSA-N 1 2 455.519 1.211 20 0 JDADLO COc1c(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cccc1C(N)=O ZINC001465990557 1067849542 /nfs/dbraw/zinc/84/95/42/1067849542.db2.gz UPLMACRGODQJPM-OAHLLOKOSA-N 1 2 455.519 1.211 20 0 JDADLO Cn1cc(Br)c(=O)c(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC001466130143 1067862995 /nfs/dbraw/zinc/86/29/95/1067862995.db2.gz ZVNMDVJRDDXYMW-UHFFFAOYSA-N 1 2 450.341 1.272 20 0 JDADLO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001466146751 1067864404 /nfs/dbraw/zinc/86/44/04/1067864404.db2.gz UVFKQMYEYWSAEQ-DNVCBOLYSA-N 1 2 452.602 1.868 20 0 JDADLO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001466181100 1067867808 /nfs/dbraw/zinc/86/78/08/1067867808.db2.gz ZNIINWCEZUSXHF-AWEZNQCLSA-N 1 2 459.374 1.843 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(C(F)(F)F)nn1 ZINC001466242138 1067871329 /nfs/dbraw/zinc/87/13/29/1067871329.db2.gz XOPRILDEAGULRM-UHFFFAOYSA-N 1 2 459.454 1.164 20 0 JDADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cnn4c3C[C@H](CNC(C)=O)CC4)CC2)c1 ZINC001466266937 1067873649 /nfs/dbraw/zinc/87/36/49/1067873649.db2.gz LVIZPLJXIPGWCF-LJQANCHMSA-N 1 2 455.559 1.427 20 0 JDADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cnn4c3C[C@@H](CNC(C)=O)CC4)CC2)c1 ZINC001466266936 1067873751 /nfs/dbraw/zinc/87/37/51/1067873751.db2.gz LVIZPLJXIPGWCF-IBGZPJMESA-N 1 2 455.559 1.427 20 0 JDADLO CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)ccc1OC ZINC001466304365 1067877807 /nfs/dbraw/zinc/87/78/07/1067877807.db2.gz UUBBXJJJVATQIY-QGZVFWFLSA-N 1 2 453.561 1.235 20 0 JDADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001466303152 1067877870 /nfs/dbraw/zinc/87/78/70/1067877870.db2.gz ODSOTMPKZCNBLT-IAGOWNOFSA-N 1 2 451.470 1.789 20 0 JDADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(Oc3ccnc(C(N)=O)c3)CC1)CC2 ZINC001466477703 1067887125 /nfs/dbraw/zinc/88/71/25/1067887125.db2.gz JCCGFEXFQNEHQF-UHFFFAOYSA-N 1 2 454.527 1.626 20 0 JDADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(Oc3ccnc(C(N)=O)c3)CC1)CC2 ZINC001466477703 1067887128 /nfs/dbraw/zinc/88/71/28/1067887128.db2.gz JCCGFEXFQNEHQF-UHFFFAOYSA-N 1 2 454.527 1.626 20 0 JDADLO COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC001466487481 1067888579 /nfs/dbraw/zinc/88/85/79/1067888579.db2.gz IGEBNKCLFXNSKX-MRXNPFEDSA-N 1 2 457.531 1.892 20 0 JDADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(F)(F)F ZINC001466501486 1067889509 /nfs/dbraw/zinc/88/95/09/1067889509.db2.gz CKJGYWJELHNILT-OAHLLOKOSA-N 1 2 451.515 1.931 20 0 JDADLO CCOC(=O)CN1c2ccc(NC(=O)NCC(C)(C)[NH+]3CCOCC3)cc2C(F)(F)C1=O ZINC001466642002 1067896636 /nfs/dbraw/zinc/89/66/36/1067896636.db2.gz SZJRXRVYTRYGNH-UHFFFAOYSA-N 1 2 454.474 1.920 20 0 JDADLO CNC(=O)[C@H]1CN(C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCO1 ZINC001466781405 1067919366 /nfs/dbraw/zinc/91/93/66/1067919366.db2.gz ADCMOAIMIUYYEO-HXUWFJFHSA-N 1 2 457.962 1.644 20 0 JDADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001466791807 1067921463 /nfs/dbraw/zinc/92/14/63/1067921463.db2.gz AAEXROUOHMQVMR-RTBURBONSA-N 1 2 452.596 1.415 20 0 JDADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cnn(CC(=O)NC4CCCC4)c3)c2)CC1 ZINC001466951970 1067953325 /nfs/dbraw/zinc/95/33/25/1067953325.db2.gz LXSRCYUPKTUOQB-UHFFFAOYSA-N 1 2 452.559 1.858 20 0 JDADLO COc1ccc(C(=O)NCC(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)cc1OC ZINC001466951924 1067953506 /nfs/dbraw/zinc/95/35/06/1067953506.db2.gz KSTCEJKMOTVLQV-UHFFFAOYSA-N 1 2 454.527 1.736 20 0 JDADLO O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001466971045 1067957285 /nfs/dbraw/zinc/95/72/85/1067957285.db2.gz WJGSBFJGTIASLS-HOTGVXAUSA-N 1 2 458.485 1.645 20 0 JDADLO O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001466971045 1067957311 /nfs/dbraw/zinc/95/73/11/1067957311.db2.gz WJGSBFJGTIASLS-HOTGVXAUSA-N 1 2 458.485 1.645 20 0 JDADLO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001546159747 1067966761 /nfs/dbraw/zinc/96/67/61/1067966761.db2.gz VEQUFUSFYQVRTQ-PMACEKPBSA-N 1 2 476.647 1.905 20 0 JDADLO O=C(CN1CCCNC1=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001467498118 1068023403 /nfs/dbraw/zinc/02/34/03/1068023403.db2.gz SQCDUJIYWLISSQ-MRXNPFEDSA-N 1 2 456.328 1.787 20 0 JDADLO O=C(CN1CCCNC1=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001467498118 1068023424 /nfs/dbraw/zinc/02/34/24/1068023424.db2.gz SQCDUJIYWLISSQ-MRXNPFEDSA-N 1 2 456.328 1.787 20 0 JDADLO C[S@@](=O)C1(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001467501376 1068023954 /nfs/dbraw/zinc/02/39/54/1068023954.db2.gz QVPHPWGYYWVPGH-WTPASJBYSA-N 1 2 457.637 1.705 20 0 JDADLO CCS(=O)(=O)c1ccc2oc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)nc2c1 ZINC001467535090 1068028963 /nfs/dbraw/zinc/02/89/63/1068028963.db2.gz IKJZNEVTNDKLIA-UHFFFAOYSA-N 1 2 458.562 1.252 20 0 JDADLO COc1ccccc1OCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001467570561 1068030682 /nfs/dbraw/zinc/03/06/82/1068030682.db2.gz LWOVFXSVHHZZAD-GOSISDBHSA-N 1 2 456.547 1.669 20 0 JDADLO COc1ccccc1OCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001467570561 1068030699 /nfs/dbraw/zinc/03/06/99/1068030699.db2.gz LWOVFXSVHHZZAD-GOSISDBHSA-N 1 2 456.547 1.669 20 0 JDADLO CS(=O)(=O)Nc1cccc(F)c1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001467586512 1068033254 /nfs/dbraw/zinc/03/32/54/1068033254.db2.gz VWRLCNNKAPNMOO-KRWDZBQOSA-N 1 2 450.536 1.897 20 0 JDADLO CS(=O)(=O)Nc1cccc(F)c1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001467586512 1068033269 /nfs/dbraw/zinc/03/32/69/1068033269.db2.gz VWRLCNNKAPNMOO-KRWDZBQOSA-N 1 2 450.536 1.897 20 0 JDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC001467589484 1068034112 /nfs/dbraw/zinc/03/41/12/1068034112.db2.gz RSISFKGNEGZZER-WOJBJXKFSA-N 1 2 450.580 1.487 20 0 JDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC001467589482 1068034357 /nfs/dbraw/zinc/03/43/57/1068034357.db2.gz RSISFKGNEGZZER-VQTJNVASSA-N 1 2 450.580 1.487 20 0 JDADLO COCC1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC001467645623 1068042592 /nfs/dbraw/zinc/04/25/92/1068042592.db2.gz CWWNGQYWLLWQND-UHFFFAOYSA-N 1 2 453.609 1.430 20 0 JDADLO C[C@@]1(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOc2ccccc21 ZINC001467646156 1068042923 /nfs/dbraw/zinc/04/29/23/1068042923.db2.gz GLUJUXVNJCIERE-JOCHJYFZSA-N 1 2 459.572 1.531 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC(OCC2CC2)CC1 ZINC001467647021 1068044226 /nfs/dbraw/zinc/04/42/26/1068044226.db2.gz PEBHRDLTKMTVMC-UHFFFAOYSA-N 1 2 451.593 1.134 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001467646990 1068044290 /nfs/dbraw/zinc/04/42/90/1068044290.db2.gz NTFDQFZVBDBIJL-OALUTQOASA-N 1 2 451.593 1.277 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCCC2(CCC2)O1 ZINC001467647764 1068044538 /nfs/dbraw/zinc/04/45/38/1068044538.db2.gz WUMDURRHMSEBLZ-SFHVURJKSA-N 1 2 451.593 1.324 20 0 JDADLO CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001467668961 1068049535 /nfs/dbraw/zinc/04/95/35/1068049535.db2.gz WBFPEOHWOMDZSB-PSTIOWGYSA-N 1 2 458.588 1.059 20 0 JDADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC001467680812 1068051157 /nfs/dbraw/zinc/05/11/57/1068051157.db2.gz OOPABQQHMJZVQB-RDJZCZTQSA-N 1 2 459.996 1.590 20 0 JDADLO Cn1c(CNC(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n[nH]c1=O ZINC001467777607 1068064844 /nfs/dbraw/zinc/06/48/44/1068064844.db2.gz HSKDDUJVMGUDDS-UHFFFAOYSA-N 1 2 455.485 1.941 20 0 JDADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)c2ccc(Cl)cc2)C1 ZINC001467779045 1068065109 /nfs/dbraw/zinc/06/51/09/1068065109.db2.gz YBVUHIMLZNLEQV-OALUTQOASA-N 1 2 452.964 1.859 20 0 JDADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)c2ccc(Cl)cc2)C1 ZINC001467779045 1068065124 /nfs/dbraw/zinc/06/51/24/1068065124.db2.gz YBVUHIMLZNLEQV-OALUTQOASA-N 1 2 452.964 1.859 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3COCCN3CC(F)(F)F)C2)CC1 ZINC001467880047 1068083917 /nfs/dbraw/zinc/08/39/17/1068083917.db2.gz OJTHXKJAJNEZOO-JKSUJKDBSA-N 1 2 450.502 1.403 20 0 JDADLO COc1ccc(C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)cc1S(=O)(=O)NC(C)C ZINC001467891773 1068085704 /nfs/dbraw/zinc/08/57/04/1068085704.db2.gz PJVUVFANFXAXDO-INIZCTEOSA-N 1 2 450.561 1.166 20 0 JDADLO CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001467894317 1068086343 /nfs/dbraw/zinc/08/63/43/1068086343.db2.gz GVSRRHGKFRYBCO-NEWSRXKRSA-N 1 2 453.609 1.242 20 0 JDADLO CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001467894317 1068086363 /nfs/dbraw/zinc/08/63/63/1068086363.db2.gz GVSRRHGKFRYBCO-NEWSRXKRSA-N 1 2 453.609 1.242 20 0 JDADLO Cc1ccc([C@H](C)[C@H](O)C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467900922 1068087689 /nfs/dbraw/zinc/08/76/89/1068087689.db2.gz KYKXTUOYNNAYNI-YDHSSHFGSA-N 1 2 453.587 1.422 20 0 JDADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)cn1 ZINC001467900583 1068087954 /nfs/dbraw/zinc/08/79/54/1068087954.db2.gz GXOLEVONWNNBPK-WMZHIEFXSA-N 1 2 458.563 1.919 20 0 JDADLO COCCOc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467900760 1068088034 /nfs/dbraw/zinc/08/80/34/1068088034.db2.gz JBEXFFYJWXCYCF-GOSISDBHSA-N 1 2 455.559 1.288 20 0 JDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2scnc2C(F)(F)F)CC3)CC1 ZINC001467901122 1068088731 /nfs/dbraw/zinc/08/87/31/1068088731.db2.gz MVMHWZQMARBNCQ-LBPRGKRZSA-N 1 2 456.494 1.738 20 0 JDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCCOCc2ccccc2)CC3)CC1 ZINC001467901248 1068088789 /nfs/dbraw/zinc/08/87/89/1068088789.db2.gz OCUZTVWICZNEAS-NRFANRHFSA-N 1 2 453.587 1.946 20 0 JDADLO CCOc1ccc(CCC(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467901731 1068089208 /nfs/dbraw/zinc/08/92/08/1068089208.db2.gz WABGFJFVKIRUOG-FQEVSTJZSA-N 1 2 453.587 1.981 20 0 JDADLO Cc1c(Cl)cccc1OCC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001467901932 1068089750 /nfs/dbraw/zinc/08/97/50/1068089750.db2.gz ZCXXPUYUXZNLAM-QGZVFWFLSA-N 1 2 459.978 1.990 20 0 JDADLO O=C(C[NH+]1CCC(NC(=O)N2CCN(CCc3cnccn3)CC2)CC1)Nc1ccccc1 ZINC001467903662 1068090433 /nfs/dbraw/zinc/09/04/33/1068090433.db2.gz DIESQNANPIJREC-UHFFFAOYSA-N 1 2 451.575 1.449 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001467913774 1068092853 /nfs/dbraw/zinc/09/28/53/1068092853.db2.gz VMSNJPSGYPRQEG-HXUWFJFHSA-N 1 2 458.481 1.350 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001467913774 1068092872 /nfs/dbraw/zinc/09/28/72/1068092872.db2.gz VMSNJPSGYPRQEG-HXUWFJFHSA-N 1 2 458.481 1.350 20 0 JDADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 ZINC001467928403 1068095305 /nfs/dbraw/zinc/09/53/05/1068095305.db2.gz ACPFRUJUMBGRTN-FUHWJXTLSA-N 1 2 458.563 1.732 20 0 JDADLO COc1ccc(CN2CC[C@@H]2CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001467952754 1068113028 /nfs/dbraw/zinc/11/30/28/1068113028.db2.gz MLNHBDXSSDOWAL-OAQYLSRUSA-N 1 2 453.591 1.571 20 0 JDADLO CN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001467966982 1068124391 /nfs/dbraw/zinc/12/43/91/1068124391.db2.gz BMFJJUNHPGHZTK-FQEVSTJZSA-N 1 2 450.580 1.888 20 0 JDADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC001467991684 1068134036 /nfs/dbraw/zinc/13/40/36/1068134036.db2.gz XUWGURMEELMVQJ-ROUUACIJSA-N 1 2 451.568 1.625 20 0 JDADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC001467991684 1068134047 /nfs/dbraw/zinc/13/40/47/1068134047.db2.gz XUWGURMEELMVQJ-ROUUACIJSA-N 1 2 451.568 1.625 20 0 JDADLO CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001468207502 1068205959 /nfs/dbraw/zinc/20/59/59/1068205959.db2.gz IEDGYMAOEBOZLX-RTWAWAEBSA-N 1 2 458.555 1.921 20 0 JDADLO O=C(NCCn1cc(Br)cn1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001468285808 1068223295 /nfs/dbraw/zinc/22/32/95/1068223295.db2.gz GIVAAWZRNOOJME-UHFFFAOYSA-N 1 2 452.353 1.856 20 0 JDADLO C[C@]12CN(C(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001468285426 1068223610 /nfs/dbraw/zinc/22/36/10/1068223610.db2.gz BFCCKBUSTGTFAT-SZPZYZBQSA-N 1 2 451.589 1.364 20 0 JDADLO COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001468311164 1068238302 /nfs/dbraw/zinc/23/83/02/1068238302.db2.gz QMUMREWROMXVKC-GOSISDBHSA-N 1 2 457.531 1.715 20 0 JDADLO Cn1nccc1[C@H](O)C1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC001468310616 1068238732 /nfs/dbraw/zinc/23/87/32/1068238732.db2.gz WGRADYYSYCBLDX-HSZRJFAPSA-N 1 2 457.575 1.786 20 0 JDADLO C[C@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C(=O)OCc1ccccc1 ZINC001468334981 1068245457 /nfs/dbraw/zinc/24/54/57/1068245457.db2.gz HKUBTBZRQVSQSU-NDXORKPFSA-N 1 2 456.543 1.626 20 0 JDADLO C[C@H](O)[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C(=O)OCc1ccccc1 ZINC001468334981 1068245481 /nfs/dbraw/zinc/24/54/81/1068245481.db2.gz HKUBTBZRQVSQSU-NDXORKPFSA-N 1 2 456.543 1.626 20 0 JDADLO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC001468357939 1068252959 /nfs/dbraw/zinc/25/29/59/1068252959.db2.gz USGHXKLMYIXURK-RBUKOAKNSA-N 1 2 453.605 1.905 20 0 JDADLO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC001468357939 1068252997 /nfs/dbraw/zinc/25/29/97/1068252997.db2.gz USGHXKLMYIXURK-RBUKOAKNSA-N 1 2 453.605 1.905 20 0 JDADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001468363422 1068255066 /nfs/dbraw/zinc/25/50/66/1068255066.db2.gz MMVXGGGWMLFHGP-QZTJIDSGSA-N 1 2 476.578 1.054 20 0 JDADLO CN(Cc1cn(C)nc1C(F)(F)F)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001468362854 1068255356 /nfs/dbraw/zinc/25/53/56/1068255356.db2.gz FKAFRNOWGNKPEB-UHFFFAOYSA-N 1 2 453.469 1.714 20 0 JDADLO O=C(CCNC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468364004 1068257519 /nfs/dbraw/zinc/25/75/19/1068257519.db2.gz VYQIYXRIUPSPSW-FQEVSTJZSA-N 1 2 450.543 1.393 20 0 JDADLO C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001468363948 1068257767 /nfs/dbraw/zinc/25/77/67/1068257767.db2.gz UFFHHBIWYPWIQT-QZTJIDSGSA-N 1 2 460.579 1.675 20 0 JDADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC001468490310 1068293925 /nfs/dbraw/zinc/29/39/25/1068293925.db2.gz CIFYLYGFMHWPKR-GOSISDBHSA-N 1 2 457.575 1.961 20 0 JDADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC001468490310 1068293948 /nfs/dbraw/zinc/29/39/48/1068293948.db2.gz CIFYLYGFMHWPKR-GOSISDBHSA-N 1 2 457.575 1.961 20 0 JDADLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC001468490315 1068294612 /nfs/dbraw/zinc/29/46/12/1068294612.db2.gz CIFYLYGFMHWPKR-SFHVURJKSA-N 1 2 457.575 1.961 20 0 JDADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC001468490315 1068294640 /nfs/dbraw/zinc/29/46/40/1068294640.db2.gz CIFYLYGFMHWPKR-SFHVURJKSA-N 1 2 457.575 1.961 20 0 JDADLO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC001468543794 1068308390 /nfs/dbraw/zinc/30/83/90/1068308390.db2.gz LPYOARSOOFVNSH-HTAPYJJXSA-N 1 2 452.983 1.842 20 0 JDADLO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC001468543794 1068308408 /nfs/dbraw/zinc/30/84/08/1068308408.db2.gz LPYOARSOOFVNSH-HTAPYJJXSA-N 1 2 452.983 1.842 20 0 JDADLO CCC[C@@H](NC(=O)N1CC[NH+](CCOCCOC)CC1)C(=O)N1CCc2sccc2C1 ZINC001468570178 1068316036 /nfs/dbraw/zinc/31/60/36/1068316036.db2.gz FTUDLNWMCWACLS-LJQANCHMSA-N 1 2 452.621 1.792 20 0 JDADLO COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC001468603160 1068322153 /nfs/dbraw/zinc/32/21/53/1068322153.db2.gz HBWJLTYKMCMASF-IBGZPJMESA-N 1 2 452.983 1.992 20 0 JDADLO COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC001468603160 1068322158 /nfs/dbraw/zinc/32/21/58/1068322158.db2.gz HBWJLTYKMCMASF-IBGZPJMESA-N 1 2 452.983 1.992 20 0 JDADLO Cc1cc(N2CCN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001468636861 1068330978 /nfs/dbraw/zinc/33/09/78/1068330978.db2.gz VLEWJRUPUPRVFO-UHFFFAOYSA-N 1 2 452.625 1.249 20 0 JDADLO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)c(Cl)c1 ZINC001468644034 1068331983 /nfs/dbraw/zinc/33/19/83/1068331983.db2.gz XACWBMCOELFHQM-MSOLQXFVSA-N 1 2 452.983 1.990 20 0 JDADLO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)c(Cl)c1 ZINC001468644034 1068332004 /nfs/dbraw/zinc/33/20/04/1068332004.db2.gz XACWBMCOELFHQM-MSOLQXFVSA-N 1 2 452.983 1.990 20 0 JDADLO C[S@@](=O)c1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC001468663100 1068339367 /nfs/dbraw/zinc/33/93/67/1068339367.db2.gz CPVZQDDLWNRDFU-HYHKQLJDSA-N 1 2 458.588 1.519 20 0 JDADLO C[S@@](=O)c1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC001468663100 1068339388 /nfs/dbraw/zinc/33/93/88/1068339388.db2.gz CPVZQDDLWNRDFU-HYHKQLJDSA-N 1 2 458.588 1.519 20 0 JDADLO CCc1c(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)nnn1Cc1ccc(F)cc1 ZINC001468706845 1068350573 /nfs/dbraw/zinc/35/05/73/1068350573.db2.gz LBGKJSHVUUETDD-HXUWFJFHSA-N 1 2 458.538 1.680 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001468710628 1068351031 /nfs/dbraw/zinc/35/10/31/1068351031.db2.gz DHKXPEMSPLELNC-KRWDZBQOSA-N 1 2 456.543 1.826 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)CC2)C1 ZINC001468710049 1068351225 /nfs/dbraw/zinc/35/12/25/1068351225.db2.gz CAKNTNKVDCCQSU-CPJSRVTESA-N 1 2 456.587 1.988 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CCN3C(=O)COc4ccccc43)CC2)C1 ZINC001468712748 1068351305 /nfs/dbraw/zinc/35/13/05/1068351305.db2.gz SYSBKEZJCIOXBZ-SFHVURJKSA-N 1 2 458.559 1.956 20 0 JDADLO CCS(=O)(=O)N1CCC(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001468713832 1068351913 /nfs/dbraw/zinc/35/19/13/1068351913.db2.gz XXNIYCPUMJWILE-GOSISDBHSA-N 1 2 458.625 1.202 20 0 JDADLO COC(=O)c1ccc(OCCNC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001468727810 1068356323 /nfs/dbraw/zinc/35/63/23/1068356323.db2.gz JJQASDVGBIHAGR-KRWDZBQOSA-N 1 2 450.536 1.702 20 0 JDADLO COC(=O)c1ccc(OCCNC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001468727810 1068356337 /nfs/dbraw/zinc/35/63/37/1068356337.db2.gz JJQASDVGBIHAGR-KRWDZBQOSA-N 1 2 450.536 1.702 20 0 JDADLO CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc1 ZINC001468834429 1068376633 /nfs/dbraw/zinc/37/66/33/1068376633.db2.gz ASIYZJDEIKQBGE-UHFFFAOYSA-N 1 2 455.577 1.213 20 0 JDADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)C[C@H]21 ZINC001468834576 1068376833 /nfs/dbraw/zinc/37/68/33/1068376833.db2.gz QEMVLMJTEADXGN-XDNAFOTISA-N 1 2 461.506 1.733 20 0 JDADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)C[C@H]21 ZINC001468834576 1068376851 /nfs/dbraw/zinc/37/68/51/1068376851.db2.gz QEMVLMJTEADXGN-XDNAFOTISA-N 1 2 461.506 1.733 20 0 JDADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC001468904503 1068390894 /nfs/dbraw/zinc/39/08/94/1068390894.db2.gz NUHBIAYCMAVWJN-HTAPYJJXSA-N 1 2 451.514 1.418 20 0 JDADLO CCOc1ccc(N2CCN(C(=O)N[C@H](Cc3ccccc3)C[NH+]3CCOCC3)CC2)nn1 ZINC001468934027 1068395656 /nfs/dbraw/zinc/39/56/56/1068395656.db2.gz IXMLYFIMHAPKBT-OAQYLSRUSA-N 1 2 454.575 1.650 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001469152774 1068451609 /nfs/dbraw/zinc/45/16/09/1068451609.db2.gz GLDZSWDHVZOOJC-KRWDZBQOSA-N 1 2 458.481 1.801 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)cc1 ZINC001469445827 1068520744 /nfs/dbraw/zinc/52/07/44/1068520744.db2.gz XXIIVHPMGOJTHM-GOSISDBHSA-N 1 2 459.572 1.775 20 0 JDADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)cc1 ZINC001469546362 1068543881 /nfs/dbraw/zinc/54/38/81/1068543881.db2.gz RBENOGZTULUECY-SIKLNZKXSA-N 1 2 451.589 1.649 20 0 JDADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)cc1 ZINC001469546360 1068544297 /nfs/dbraw/zinc/54/42/97/1068544297.db2.gz RBENOGZTULUECY-KNQAVFIVSA-N 1 2 451.589 1.649 20 0 JDADLO O=C(NCc1nc2ccc(Br)cc2o1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001469581699 1068551804 /nfs/dbraw/zinc/55/18/04/1068551804.db2.gz PBKHLOSEMODOHH-CYBMUJFWSA-N 1 2 451.321 1.387 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001469674385 1068565024 /nfs/dbraw/zinc/56/50/24/1068565024.db2.gz OORZZOQGIJGMFC-QGZVFWFLSA-N 1 2 451.568 1.555 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)CC1 ZINC001469674811 1068565108 /nfs/dbraw/zinc/56/51/08/1068565108.db2.gz RSVIPLISDSPUOW-QGZVFWFLSA-N 1 2 451.568 1.664 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001469686319 1068567384 /nfs/dbraw/zinc/56/73/84/1068567384.db2.gz URPINEUMRJEGFY-UTKZUKDTSA-N 1 2 454.930 1.499 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001469686319 1068567400 /nfs/dbraw/zinc/56/74/00/1068567400.db2.gz URPINEUMRJEGFY-UTKZUKDTSA-N 1 2 454.930 1.499 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001469686321 1068567460 /nfs/dbraw/zinc/56/74/60/1068567460.db2.gz URPINEUMRJEGFY-UWJYYQICSA-N 1 2 454.930 1.499 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001469686321 1068567479 /nfs/dbraw/zinc/56/74/79/1068567479.db2.gz URPINEUMRJEGFY-UWJYYQICSA-N 1 2 454.930 1.499 20 0 JDADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC001469747717 1068579979 /nfs/dbraw/zinc/57/99/79/1068579979.db2.gz VCVMTKZWBPYNFZ-OAHLLOKOSA-N 1 2 458.382 1.671 20 0 JDADLO Cn1nnc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(I)cc2)n1 ZINC001469955575 1068644783 /nfs/dbraw/zinc/64/47/83/1068644783.db2.gz CQRQBOLBPYVMCE-AWEZNQCLSA-N 1 2 455.304 1.279 20 0 JDADLO Cn1nnc(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(I)cc2)n1 ZINC001469955575 1068644803 /nfs/dbraw/zinc/64/48/03/1068644803.db2.gz CQRQBOLBPYVMCE-AWEZNQCLSA-N 1 2 455.304 1.279 20 0 JDADLO Cn1ncc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(I)cc2)n1 ZINC001469955700 1068645198 /nfs/dbraw/zinc/64/51/98/1068645198.db2.gz FEKHTNHBTGJNOA-MRXNPFEDSA-N 1 2 454.316 1.884 20 0 JDADLO Cn1ncc(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(I)cc2)n1 ZINC001469955700 1068645215 /nfs/dbraw/zinc/64/52/15/1068645215.db2.gz FEKHTNHBTGJNOA-MRXNPFEDSA-N 1 2 454.316 1.884 20 0 JDADLO CCOC1CC(CNC(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)([NH+]2CCOCC2)C1 ZINC001470013048 1068665665 /nfs/dbraw/zinc/66/56/65/1068665665.db2.gz PNKPCCKCVBVPTO-CSZIGFGKSA-N 1 2 459.509 1.824 20 0 JDADLO CCOC1CC(CNC(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)([NH+]2CCOCC2)C1 ZINC001470012889 1068665867 /nfs/dbraw/zinc/66/58/67/1068665867.db2.gz MUNNCQPAADPIRJ-NHFHJCFSSA-N 1 2 453.605 1.852 20 0 JDADLO CCOC1CC(CNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)([NH+]2CCOCC2)C1 ZINC001470013059 1068666437 /nfs/dbraw/zinc/66/64/37/1068666437.db2.gz PVMGCKSDIHPZHG-UHFFFAOYSA-N 1 2 452.581 1.168 20 0 JDADLO CCn1c(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nc2cc(Br)ccc21 ZINC001470079401 1068682607 /nfs/dbraw/zinc/68/26/07/1068682607.db2.gz IZVVEXGVKLIGBS-HNNXBMFYSA-N 1 2 454.369 1.653 20 0 JDADLO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC001470120106 1068703923 /nfs/dbraw/zinc/70/39/23/1068703923.db2.gz ADCJYHDQXPUNAB-OAHLLOKOSA-N 1 2 457.560 1.750 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001470226226 1068727386 /nfs/dbraw/zinc/72/73/86/1068727386.db2.gz QCYKUTYFYDKHBT-OXJNMPFZSA-N 1 2 453.333 1.263 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001470226226 1068727406 /nfs/dbraw/zinc/72/74/06/1068727406.db2.gz QCYKUTYFYDKHBT-OXJNMPFZSA-N 1 2 453.333 1.263 20 0 JDADLO CCc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(OC)c(S(N)(=O)=O)c3)CC2)s1 ZINC001470389900 1068755858 /nfs/dbraw/zinc/75/58/58/1068755858.db2.gz WVENKMDKVUXHRA-UHFFFAOYSA-N 1 2 452.602 1.994 20 0 JDADLO C[C@H]1C[C@H](NC(=O)N[C@H]2CCCN(CC[NH+]3CCOCC3)C2)c2ccsc2S1(=O)=O ZINC001470407798 1068758292 /nfs/dbraw/zinc/75/82/92/1068758292.db2.gz XICISTMAXBJNOS-BQFCYCMXSA-N 1 2 456.634 1.451 20 0 JDADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)C1 ZINC001470535338 1068778315 /nfs/dbraw/zinc/77/83/15/1068778315.db2.gz NUHWNKZRDUZEOF-HXUWFJFHSA-N 1 2 454.571 1.736 20 0 JDADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)C1 ZINC001470535338 1068778336 /nfs/dbraw/zinc/77/83/36/1068778336.db2.gz NUHWNKZRDUZEOF-HXUWFJFHSA-N 1 2 454.571 1.736 20 0 JDADLO CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](CO)c2c[nH+]cn2C)c1 ZINC001470573226 1068783411 /nfs/dbraw/zinc/78/34/11/1068783411.db2.gz YCNOQPPSRCDGNS-OAHLLOKOSA-N 1 2 459.366 1.580 20 0 JDADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC001470686864 1068802360 /nfs/dbraw/zinc/80/23/60/1068802360.db2.gz TUJDDJDECBHVFR-VQTJNVASSA-N 1 2 451.539 1.994 20 0 JDADLO CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC001470686859 1068802499 /nfs/dbraw/zinc/80/24/99/1068802499.db2.gz TUJDDJDECBHVFR-PMACEKPBSA-N 1 2 451.539 1.994 20 0 JDADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC001470722783 1068805124 /nfs/dbraw/zinc/80/51/24/1068805124.db2.gz AEZOXAWWBLDVDC-OAHLLOKOSA-N 1 2 450.586 1.224 20 0 JDADLO COc1c(F)cc(CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1S(N)(=O)=O ZINC001470724504 1068805159 /nfs/dbraw/zinc/80/51/59/1068805159.db2.gz VVDMGCMSZFPEAN-UHFFFAOYSA-N 1 2 454.549 1.289 20 0 JDADLO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001470723675 1068805234 /nfs/dbraw/zinc/80/52/34/1068805234.db2.gz JPBJVAQDFGINDE-UHFFFAOYSA-N 1 2 455.588 1.170 20 0 JDADLO COc1cccc(C[NH+]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)c1 ZINC001470780797 1068809590 /nfs/dbraw/zinc/80/95/90/1068809590.db2.gz WQIPXZAAEOPEEL-OAQYLSRUSA-N 1 2 456.518 1.081 20 0 JDADLO Cn1cc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCc4cccs4)cc3)CC[NH2+]2)cn1 ZINC001470879979 1068820407 /nfs/dbraw/zinc/82/04/07/1068820407.db2.gz LSTTYGYPILAEFQ-HXUWFJFHSA-N 1 2 459.597 1.789 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)C2)cc1 ZINC001470913554 1068822169 /nfs/dbraw/zinc/82/21/69/1068822169.db2.gz FFBHOPMLXJUWKQ-GOSISDBHSA-N 1 2 450.536 1.482 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)C2)cc1 ZINC001470913554 1068822171 /nfs/dbraw/zinc/82/21/71/1068822171.db2.gz FFBHOPMLXJUWKQ-GOSISDBHSA-N 1 2 450.536 1.482 20 0 JDADLO CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@H+](C)[C@H](CO)C2)c1 ZINC001471062481 1068833057 /nfs/dbraw/zinc/83/30/57/1068833057.db2.gz BHRTYIMDBHSKIT-KRWDZBQOSA-N 1 2 451.976 1.909 20 0 JDADLO CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c1 ZINC001471062481 1068833060 /nfs/dbraw/zinc/83/30/60/1068833060.db2.gz BHRTYIMDBHSKIT-KRWDZBQOSA-N 1 2 451.976 1.909 20 0 JDADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC001471103353 1068835526 /nfs/dbraw/zinc/83/55/26/1068835526.db2.gz FJRUTFNQLHWFRX-MRXNPFEDSA-N 1 2 451.520 1.260 20 0 JDADLO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[NH+](Cc4ccc(O)cc4)CC3)C2=O)cc1 ZINC001471139643 1068838471 /nfs/dbraw/zinc/83/84/71/1068838471.db2.gz HBFNHFWZLNJEAL-DEOSSOPVSA-N 1 2 452.511 1.512 20 0 JDADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC001471208179 1068842970 /nfs/dbraw/zinc/84/29/70/1068842970.db2.gz SQVIZHYNQSHONW-FOWTUZBSSA-N 1 2 451.589 1.889 20 0 JDADLO C[NH+]1CCN(C2CCN(C(=O)CCNC(=O)c3cc(F)ccc3Br)CC2)CC1 ZINC001471236624 1068845631 /nfs/dbraw/zinc/84/56/31/1068845631.db2.gz VKJVMFVTXRIGAR-UHFFFAOYSA-N 1 2 455.372 1.947 20 0 JDADLO O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001471264289 1068847200 /nfs/dbraw/zinc/84/72/00/1068847200.db2.gz ASAFZQKUYVRZRS-JKSUJKDBSA-N 1 2 458.485 1.645 20 0 JDADLO O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001471264289 1068847201 /nfs/dbraw/zinc/84/72/01/1068847201.db2.gz ASAFZQKUYVRZRS-JKSUJKDBSA-N 1 2 458.485 1.645 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC2(CCOCC2)C1 ZINC001471323649 1068854901 /nfs/dbraw/zinc/85/49/01/1068854901.db2.gz UKKURLFHIDHDRG-QRVBRYPASA-N 1 2 452.596 1.955 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC2(CCOCC2)C1 ZINC001471323649 1068854917 /nfs/dbraw/zinc/85/49/17/1068854917.db2.gz UKKURLFHIDHDRG-QRVBRYPASA-N 1 2 452.596 1.955 20 0 JDADLO COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)CCO2 ZINC001471325635 1068854980 /nfs/dbraw/zinc/85/49/80/1068854980.db2.gz IEJLVZLSXOZXSI-IZCOPSDLSA-N 1 2 454.568 1.338 20 0 JDADLO COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)CCO2 ZINC001471325635 1068854983 /nfs/dbraw/zinc/85/49/83/1068854983.db2.gz IEJLVZLSXOZXSI-IZCOPSDLSA-N 1 2 454.568 1.338 20 0 JDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC001471393387 1068861515 /nfs/dbraw/zinc/86/15/15/1068861515.db2.gz CBDQZLIQLRTSMW-CQSZACIVSA-N 1 2 457.373 1.190 20 0 JDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 ZINC001471396042 1068861532 /nfs/dbraw/zinc/86/15/32/1068861532.db2.gz SDOUBGITNRZESM-VQFNIZELSA-N 1 2 453.580 1.650 20 0 JDADLO O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471407767 1068862994 /nfs/dbraw/zinc/86/29/94/1068862994.db2.gz IOMZXUZOCJBOFN-UHFFFAOYSA-N 1 2 452.559 1.118 20 0 JDADLO COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471407780 1068863032 /nfs/dbraw/zinc/86/30/32/1068863032.db2.gz IRZUHTLXAVNGPM-HXUWFJFHSA-N 1 2 457.600 1.724 20 0 JDADLO NS(=O)(=O)c1cccc2c1CCN(C(=O)c1cccc(NC(=O)CCn3cc[nH+]c3)c1)C2 ZINC001471430149 1068865314 /nfs/dbraw/zinc/86/53/14/1068865314.db2.gz YZHGGUNJSMNIDG-UHFFFAOYSA-N 1 2 453.524 1.758 20 0 JDADLO O=C(NCCc1cc(Cl)cc(Br)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471548857 1068878983 /nfs/dbraw/zinc/87/89/83/1068878983.db2.gz WEHOLTVKRUYYJA-HNNXBMFYSA-N 1 2 458.784 1.942 20 0 JDADLO COc1ccc(-c2noc(CN3CCN(C(=O)N[C@@H](C)[C@@H]4CN(C)CC[N@@H+]4C)CC3)n2)cc1 ZINC001471602520 1068883413 /nfs/dbraw/zinc/88/34/13/1068883413.db2.gz RCUGPXYPWXFSJI-PXNSSMCTSA-N 1 2 457.579 1.207 20 0 JDADLO COc1ccc(-c2noc(CN3CCN(C(=O)N[C@@H](C)[C@@H]4CN(C)CC[N@H+]4C)CC3)n2)cc1 ZINC001471602520 1068883417 /nfs/dbraw/zinc/88/34/17/1068883417.db2.gz RCUGPXYPWXFSJI-PXNSSMCTSA-N 1 2 457.579 1.207 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1 ZINC001471647185 1068887344 /nfs/dbraw/zinc/88/73/44/1068887344.db2.gz KKQKYOFBIZNWPC-MOPGFXCFSA-N 1 2 454.556 1.283 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1 ZINC001471647185 1068887347 /nfs/dbraw/zinc/88/73/47/1068887347.db2.gz KKQKYOFBIZNWPC-MOPGFXCFSA-N 1 2 454.556 1.283 20 0 JDADLO CCOC(=O)[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(F)(F)F ZINC001471706542 1068893439 /nfs/dbraw/zinc/89/34/39/1068893439.db2.gz TUPYGGHLRDPLEG-HZPDHXFCSA-N 1 2 456.465 1.710 20 0 JDADLO CC(C)(C)OC(=O)C1(C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCS(=O)(=O)CC1 ZINC001471798654 1068907315 /nfs/dbraw/zinc/90/73/15/1068907315.db2.gz VSKXOSWLPQVFAK-ROUUACIJSA-N 1 2 458.621 1.530 20 0 JDADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNC(=O)CCNS(C)(=O)=O)cc2)CC1 ZINC001471798621 1068907744 /nfs/dbraw/zinc/90/77/44/1068907744.db2.gz UNHCMIXMPCUWFM-UHFFFAOYSA-N 1 2 454.593 1.295 20 0 JDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471801997 1068909925 /nfs/dbraw/zinc/90/99/25/1068909925.db2.gz VZCGYWYLENPVCC-GUDVDZBRSA-N 1 2 452.596 1.176 20 0 JDADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC001471829065 1068914503 /nfs/dbraw/zinc/91/45/03/1068914503.db2.gz XNEUGQWDCILYTG-UHFFFAOYSA-N 1 2 456.996 1.361 20 0 JDADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC001471829065 1068914513 /nfs/dbraw/zinc/91/45/13/1068914513.db2.gz XNEUGQWDCILYTG-UHFFFAOYSA-N 1 2 456.996 1.361 20 0 JDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC001471937608 1068932997 /nfs/dbraw/zinc/93/29/97/1068932997.db2.gz NIZDGBKFFPMOAJ-HXUWFJFHSA-N 1 2 451.589 1.517 20 0 JDADLO CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001472064081 1068947355 /nfs/dbraw/zinc/94/73/55/1068947355.db2.gz GWOOCVLVXRTDOK-KRWDZBQOSA-N 1 2 452.964 1.791 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCc3[nH]c4c([nH+]3)CCCC4)CS(=O)(=O)[C@@H]2C1 ZINC001472064976 1068947960 /nfs/dbraw/zinc/94/79/60/1068947960.db2.gz HDQUEUKYXMJDTD-JJRVBVJISA-N 1 2 452.577 1.575 20 0 JDADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001472181726 1068965034 /nfs/dbraw/zinc/96/50/34/1068965034.db2.gz YASCPHKPHROPJI-HTAPYJJXSA-N 1 2 451.568 1.361 20 0 JDADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001472181726 1068965044 /nfs/dbraw/zinc/96/50/44/1068965044.db2.gz YASCPHKPHROPJI-HTAPYJJXSA-N 1 2 451.568 1.361 20 0 JDADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001499314758 1068973313 /nfs/dbraw/zinc/97/33/13/1068973313.db2.gz MRZLEQIWLUWDMP-PKOBYXMFSA-N 1 2 478.594 1.166 20 0 JDADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001499314758 1068973336 /nfs/dbraw/zinc/97/33/36/1068973336.db2.gz MRZLEQIWLUWDMP-PKOBYXMFSA-N 1 2 478.594 1.166 20 0 JDADLO CC[C@@H]1C(=O)NCCN1c1nnc(CCCc2ccccc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499320812 1068979619 /nfs/dbraw/zinc/97/96/19/1068979619.db2.gz IIILMXIWUJFQOM-JOCHJYFZSA-N 1 2 467.618 1.332 20 0 JDADLO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001472265270 1068979964 /nfs/dbraw/zinc/97/99/64/1068979964.db2.gz RUVAJXAHBRXACV-SFHVURJKSA-N 1 2 458.946 1.669 20 0 JDADLO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001499329028 1068985041 /nfs/dbraw/zinc/98/50/41/1068985041.db2.gz LMPYEQFSUVGCAC-FQEVSTJZSA-N 1 2 473.597 1.737 20 0 JDADLO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001499329028 1068985059 /nfs/dbraw/zinc/98/50/59/1068985059.db2.gz LMPYEQFSUVGCAC-FQEVSTJZSA-N 1 2 473.597 1.737 20 0 JDADLO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001499333914 1068990472 /nfs/dbraw/zinc/99/04/72/1068990472.db2.gz YGDKTYXACXNMAJ-XLIONFOSSA-N 1 2 458.563 1.301 20 0 JDADLO CC[C@@H]1[C@@H](C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001499367460 1068994879 /nfs/dbraw/zinc/99/48/79/1068994879.db2.gz UGYSBRKEVBRWNB-QXAKKESOSA-N 1 2 477.635 1.745 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)cc[nH+]1 ZINC001472383215 1069001622 /nfs/dbraw/zinc/00/16/22/1069001622.db2.gz GTHSGMWVBCWOHX-LSDHHAIUSA-N 1 2 473.477 1.468 20 0 JDADLO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001499469625 1069006492 /nfs/dbraw/zinc/00/64/92/1069006492.db2.gz OTENCGQGFZVMSE-OTWHNJEPSA-N 1 2 487.692 1.458 20 0 JDADLO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001499469625 1069006504 /nfs/dbraw/zinc/00/65/04/1069006504.db2.gz OTENCGQGFZVMSE-OTWHNJEPSA-N 1 2 487.692 1.458 20 0 JDADLO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001499469904 1069006872 /nfs/dbraw/zinc/00/68/72/1069006872.db2.gz PSIRAQCNAXZBRY-IPMKNSEASA-N 1 2 487.692 1.458 20 0 JDADLO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001499469904 1069006880 /nfs/dbraw/zinc/00/68/80/1069006880.db2.gz PSIRAQCNAXZBRY-IPMKNSEASA-N 1 2 487.692 1.458 20 0 JDADLO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001499470462 1069007876 /nfs/dbraw/zinc/00/78/76/1069007876.db2.gz VCNSPBSQFVQUQT-RCCFBDPRSA-N 1 2 473.665 1.068 20 0 JDADLO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001499470462 1069007888 /nfs/dbraw/zinc/00/78/88/1069007888.db2.gz VCNSPBSQFVQUQT-RCCFBDPRSA-N 1 2 473.665 1.068 20 0 JDADLO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@@H+]1CCOC ZINC001499640568 1069022494 /nfs/dbraw/zinc/02/24/94/1069022494.db2.gz UZBMGLFGBMCDKN-LJQANCHMSA-N 1 2 496.678 1.419 20 0 JDADLO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@H+]1CCOC ZINC001499640568 1069022511 /nfs/dbraw/zinc/02/25/11/1069022511.db2.gz UZBMGLFGBMCDKN-LJQANCHMSA-N 1 2 496.678 1.419 20 0 JDADLO CCCn1c(CCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC001472532881 1069025555 /nfs/dbraw/zinc/02/55/55/1069025555.db2.gz YJOYBZZDRUEKDI-MRXNPFEDSA-N 1 2 456.572 1.816 20 0 JDADLO COc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1S(=O)(=O)NCc1ccccn1 ZINC001472541574 1069027509 /nfs/dbraw/zinc/02/75/09/1069027509.db2.gz UYSOXVRPYGQHEL-QGZVFWFLSA-N 1 2 455.540 1.932 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CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC001473590847 1069188843 /nfs/dbraw/zinc/18/88/43/1069188843.db2.gz GPCITGKGUNXCKG-BNOWGMLFSA-N 1 2 452.577 1.848 20 0 JDADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC001473590847 1069188856 /nfs/dbraw/zinc/18/88/56/1069188856.db2.gz GPCITGKGUNXCKG-BNOWGMLFSA-N 1 2 452.577 1.848 20 0 JDADLO CN1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H]1C(C)(C)C ZINC001473599591 1069189752 /nfs/dbraw/zinc/18/97/52/1069189752.db2.gz PSNOVMFXJIYSQB-IBGZPJMESA-N 1 2 457.040 1.835 20 0 JDADLO CN1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H]1C(C)(C)C ZINC001473599591 1069189773 /nfs/dbraw/zinc/18/97/73/1069189773.db2.gz PSNOVMFXJIYSQB-IBGZPJMESA-N 1 2 457.040 1.835 20 0 JDADLO CNC(=O)c1cc(O[C@H]2CCC[N@H+](CC(=O)Nc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC001473600947 1069190230 /nfs/dbraw/zinc/19/02/30/1069190230.db2.gz BMABGIGHLUHTAR-NRFANRHFSA-N 1 2 453.543 1.760 20 0 JDADLO 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COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC001473658789 1069202991 /nfs/dbraw/zinc/20/29/91/1069202991.db2.gz DWENGJHEGMNNDD-IERDGZPVSA-N 1 2 455.577 1.016 20 0 JDADLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC001473665248 1069203838 /nfs/dbraw/zinc/20/38/38/1069203838.db2.gz AFNCXQTYNXYUEW-AEFFLSMTSA-N 1 2 456.518 1.734 20 0 JDADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C[C@@H]1C ZINC001473679491 1069206565 /nfs/dbraw/zinc/20/65/65/1069206565.db2.gz SPCWNNWEXRRNMK-TVKQPGBESA-N 1 2 467.588 1.554 20 0 JDADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C[C@@H]1C ZINC001473679491 1069206589 /nfs/dbraw/zinc/20/65/89/1069206589.db2.gz SPCWNNWEXRRNMK-TVKQPGBESA-N 1 2 467.588 1.554 20 0 JDADLO COC(=O)c1cnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)s1 ZINC001473678356 1069206774 /nfs/dbraw/zinc/20/67/74/1069206774.db2.gz YMNITJYOXHJLMX-STQMWFEESA-N 1 2 452.558 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20 0 JDADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001473711072 1069213868 /nfs/dbraw/zinc/21/38/68/1069213868.db2.gz JPMIGRZAYGQZAH-BJXIAJNOSA-N 1 2 455.602 1.020 20 0 JDADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001473711072 1069213890 /nfs/dbraw/zinc/21/38/90/1069213890.db2.gz JPMIGRZAYGQZAH-BJXIAJNOSA-N 1 2 455.602 1.020 20 0 JDADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001473711073 1069214500 /nfs/dbraw/zinc/21/45/00/1069214500.db2.gz JPMIGRZAYGQZAH-YJVRXUNYSA-N 1 2 455.602 1.020 20 0 JDADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001473711073 1069214522 /nfs/dbraw/zinc/21/45/22/1069214522.db2.gz JPMIGRZAYGQZAH-YJVRXUNYSA-N 1 2 455.602 1.020 20 0 JDADLO COC(=O)C1=NO[C@@]2(CC[N@H+](CC(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)C2)C1 ZINC001473730551 1069217011 /nfs/dbraw/zinc/21/70/11/1069217011.db2.gz 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JDYAQOVJHRHKQJ-VAMGGRTRSA-N 1 2 469.652 1.544 20 0 JDADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)CC[N@@H+]1CCOC ZINC001500266842 1069227075 /nfs/dbraw/zinc/22/70/75/1069227075.db2.gz JDYAQOVJHRHKQJ-HSALFYBXSA-N 1 2 469.652 1.544 20 0 JDADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)CC[N@H+]1CCOC ZINC001500266842 1069227084 /nfs/dbraw/zinc/22/70/84/1069227084.db2.gz JDYAQOVJHRHKQJ-HSALFYBXSA-N 1 2 469.652 1.544 20 0 JDADLO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001473828905 1069228859 /nfs/dbraw/zinc/22/88/59/1069228859.db2.gz JBDVPVDZHVLNLH-UHFFFAOYSA-N 1 2 452.596 1.652 20 0 JDADLO CC(=O)N1CCC(NC(=O)C[N@H+]2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001473828905 1069228875 /nfs/dbraw/zinc/22/88/75/1069228875.db2.gz JBDVPVDZHVLNLH-UHFFFAOYSA-N 1 2 452.596 1.652 20 0 JDADLO Cn1cc([C@@H]2CSCCC[N@@H+]2CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cn1 ZINC001473833654 1069229630 /nfs/dbraw/zinc/22/96/30/1069229630.db2.gz HTGKHTAOVPPWRF-NRFANRHFSA-N 1 2 457.600 1.689 20 0 JDADLO Cn1cc([C@@H]2CSCCC[N@H+]2CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cn1 ZINC001473833654 1069229645 /nfs/dbraw/zinc/22/96/45/1069229645.db2.gz HTGKHTAOVPPWRF-NRFANRHFSA-N 1 2 457.600 1.689 20 0 JDADLO Cn1cc([C@H]2CSCCC[N@@H+]2CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cn1 ZINC001473833657 1069229809 /nfs/dbraw/zinc/22/98/09/1069229809.db2.gz HTGKHTAOVPPWRF-OAQYLSRUSA-N 1 2 457.600 1.689 20 0 JDADLO Cn1cc([C@H]2CSCCC[N@H+]2CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cn1 ZINC001473833657 1069229824 /nfs/dbraw/zinc/22/98/24/1069229824.db2.gz HTGKHTAOVPPWRF-OAQYLSRUSA-N 1 2 457.600 1.689 20 0 JDADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001473841522 1069230352 /nfs/dbraw/zinc/23/03/52/1069230352.db2.gz KHLYXAWVGOWJPJ-SFHVURJKSA-N 1 2 456.996 1.074 20 0 JDADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001473841522 1069230366 /nfs/dbraw/zinc/23/03/66/1069230366.db2.gz KHLYXAWVGOWJPJ-SFHVURJKSA-N 1 2 456.996 1.074 20 0 JDADLO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001500286236 1069232658 /nfs/dbraw/zinc/23/26/58/1069232658.db2.gz QDOZSMYZKGGMQL-CEXWTWQISA-N 1 2 455.625 1.501 20 0 JDADLO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001500286236 1069232666 /nfs/dbraw/zinc/23/26/66/1069232666.db2.gz QDOZSMYZKGGMQL-CEXWTWQISA-N 1 2 455.625 1.501 20 0 JDADLO C[C@@H](NC(=O)CNC(=O)C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1)c1ccc(F)cc1 ZINC001473872678 1069234346 /nfs/dbraw/zinc/23/43/46/1069234346.db2.gz DLXISPBPMLBJTP-RKXCMPKHSA-N 1 2 455.600 1.406 20 0 JDADLO C[C@H](NC(=O)CNC(=O)C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1)c1ccc(F)cc1 ZINC001473872664 1069234732 /nfs/dbraw/zinc/23/47/32/1069234732.db2.gz DLXISPBPMLBJTP-AZYRPFHASA-N 1 2 455.600 1.406 20 0 JDADLO C[C@@H](NC(=O)CNC(=O)C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1)c1ccc(F)cc1 ZINC001473872677 1069234830 /nfs/dbraw/zinc/23/48/30/1069234830.db2.gz DLXISPBPMLBJTP-MKTHODDLSA-N 1 2 455.600 1.406 20 0 JDADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001473877080 1069235471 /nfs/dbraw/zinc/23/54/71/1069235471.db2.gz SHLWNSTULNSCSL-HUUCEWRRSA-N 1 2 450.565 1.281 20 0 JDADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001473877080 1069235476 /nfs/dbraw/zinc/23/54/76/1069235476.db2.gz SHLWNSTULNSCSL-HUUCEWRRSA-N 1 2 450.565 1.281 20 0 JDADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001473877079 1069235514 /nfs/dbraw/zinc/23/55/14/1069235514.db2.gz SHLWNSTULNSCSL-GJZGRUSLSA-N 1 2 450.565 1.281 20 0 JDADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001473877079 1069235520 /nfs/dbraw/zinc/23/55/20/1069235520.db2.gz SHLWNSTULNSCSL-GJZGRUSLSA-N 1 2 450.565 1.281 20 0 JDADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001473882239 1069236009 /nfs/dbraw/zinc/23/60/09/1069236009.db2.gz GBEQZWWXGIPMRE-QZTJIDSGSA-N 1 2 452.596 1.414 20 0 JDADLO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001473882241 1069236191 /nfs/dbraw/zinc/23/61/91/1069236191.db2.gz GBEQZWWXGIPMRE-ROUUACIJSA-N 1 2 452.596 1.414 20 0 JDADLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)[C@H](C)CCO1 ZINC001473895324 1069236652 /nfs/dbraw/zinc/23/66/52/1069236652.db2.gz GXBIBDRDVOOKKL-RTBURBONSA-N 1 2 480.631 1.746 20 0 JDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)[C@H](C)CCO1 ZINC001473895324 1069236669 /nfs/dbraw/zinc/23/66/69/1069236669.db2.gz GXBIBDRDVOOKKL-RTBURBONSA-N 1 2 480.631 1.746 20 0 JDADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473907682 1069237493 /nfs/dbraw/zinc/23/74/93/1069237493.db2.gz NJFZNHZPBTZNBF-DVECYGJZSA-N 1 2 459.591 1.831 20 0 JDADLO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001500364879 1069241010 /nfs/dbraw/zinc/24/10/10/1069241010.db2.gz GBQKBAWVTKUCSL-AZUAARDMSA-N 1 2 475.638 1.425 20 0 JDADLO CCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001500373312 1069242712 /nfs/dbraw/zinc/24/27/12/1069242712.db2.gz IKAUPCUUTQXHNN-UHFFFAOYSA-N 1 2 490.678 1.947 20 0 JDADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001474335174 1069242682 /nfs/dbraw/zinc/24/26/82/1069242682.db2.gz KYNACHNFWYUKNR-CVEARBPZSA-N 1 2 454.534 1.991 20 0 JDADLO CC(=O)N(c1nc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)cs1)c1ccc(F)cc1F ZINC001474670532 1069248991 /nfs/dbraw/zinc/24/89/91/1069248991.db2.gz JCOJWUPWIWYVHG-FQEVSTJZSA-N 1 2 452.483 1.823 20 0 JDADLO C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccco1 ZINC001474772486 1069252160 /nfs/dbraw/zinc/25/21/60/1069252160.db2.gz PUJRMTZTILLIGG-MOPGFXCFSA-N 1 2 451.545 1.839 20 0 JDADLO CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001500463787 1069252817 /nfs/dbraw/zinc/25/28/17/1069252817.db2.gz JJQIBZZESFLKFW-UHFFFAOYSA-N 1 2 474.631 1.893 20 0 JDADLO O=S(=O)(CCn1cc[nH+]c1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001474783398 1069254035 /nfs/dbraw/zinc/25/40/35/1069254035.db2.gz FONKPFMBINIQDB-UHFFFAOYSA-N 1 2 453.373 1.526 20 0 JDADLO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c(F)cc1C ZINC001474791851 1069256811 /nfs/dbraw/zinc/25/68/11/1069256811.db2.gz ODQGQIKHQNDNQA-UHFFFAOYSA-N 1 2 451.524 1.201 20 0 JDADLO CCn1c2ccc(S(=O)(=O)N(CC[NH+](CC)CC)[C@@H]3CCS(=O)(=O)C3)cc2oc1=O ZINC001474798128 1069259969 /nfs/dbraw/zinc/25/99/69/1069259969.db2.gz PZJAGNIITWMPBW-OAHLLOKOSA-N 1 2 459.590 1.134 20 0 JDADLO CCC(CC)[C@H](CNS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)[NH+]1CCOCC1 ZINC001474821699 1069271850 /nfs/dbraw/zinc/27/18/50/1069271850.db2.gz MZQFORLXXUISKZ-IBGZPJMESA-N 1 2 456.561 1.675 20 0 JDADLO CCCc1ccccc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001474837849 1069280248 /nfs/dbraw/zinc/28/02/48/1069280248.db2.gz RXWAIUWTZPDPSB-UHFFFAOYSA-N 1 2 452.602 1.464 20 0 JDADLO Cc1ccc(CS(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C ZINC001474837884 1069280400 /nfs/dbraw/zinc/28/04/00/1069280400.db2.gz SJEDPOQITZBNPS-UHFFFAOYSA-N 1 2 452.602 1.270 20 0 JDADLO CC1(C)COc2c(S(=O)(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)cnn2C1 ZINC001474880060 1069293601 /nfs/dbraw/zinc/29/36/01/1069293601.db2.gz ZHFXIFVNPZOXAG-UHFFFAOYSA-N 1 2 450.561 1.491 20 0 JDADLO COC(=O)Cn1cc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cn1 ZINC001474879010 1069294096 /nfs/dbraw/zinc/29/40/96/1069294096.db2.gz KGBNMTDKNPRMDF-UHFFFAOYSA-N 1 2 455.968 1.200 20 0 JDADLO CC(=O)Nc1cc(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)ccc1F ZINC001474881722 1069294623 /nfs/dbraw/zinc/29/46/23/1069294623.db2.gz IPFJNBLFWWGNSE-UHFFFAOYSA-N 1 2 451.520 1.974 20 0 JDADLO CCCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([NH+]2CCOCC2)CC1 ZINC001500661726 1069295362 /nfs/dbraw/zinc/29/53/62/1069295362.db2.gz YDKZNJQYOKXIEZ-UHFFFAOYSA-N 1 2 462.620 1.906 20 0 JDADLO CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001500684555 1069295744 /nfs/dbraw/zinc/29/57/44/1069295744.db2.gz BFQZRVAMHAQKAG-IBGZPJMESA-N 1 2 477.635 1.891 20 0 JDADLO CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001500685688 1069297057 /nfs/dbraw/zinc/29/70/57/1069297057.db2.gz QFQYZCVEWJEYOL-IRXDYDNUSA-N 1 2 451.597 1.540 20 0 JDADLO COCc1cc(Cl)cc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001474897185 1069300086 /nfs/dbraw/zinc/30/00/86/1069300086.db2.gz SLIMYZPSSJXDGK-UHFFFAOYSA-N 1 2 452.964 1.899 20 0 JDADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001474936069 1069308895 /nfs/dbraw/zinc/30/88/95/1069308895.db2.gz NKKVOIIHCXVOKS-GOSISDBHSA-N 1 2 458.422 1.778 20 0 JDADLO CSC1(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001505195791 1072413123 /nfs/dbraw/zinc/41/31/23/1072413123.db2.gz NPJVNEYFHFQYGR-UHFFFAOYSA-N 1 2 450.634 1.934 20 0 JDADLO CSc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)ccn1 ZINC001505201139 1072416387 /nfs/dbraw/zinc/41/63/87/1072416387.db2.gz WPSDNQBCOOPEKE-QGZVFWFLSA-N 1 2 450.634 1.876 20 0 JDADLO CSC[C@@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505224379 1072426481 /nfs/dbraw/zinc/42/64/81/1072426481.db2.gz OOKJIMDSEJPAEM-NZQKXSOJSA-N 1 2 480.679 1.815 20 0 JDADLO CSCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001505250672 1072433182 /nfs/dbraw/zinc/43/31/82/1072433182.db2.gz WAOCKFHUEFNHQT-ROUUACIJSA-N 1 2 457.666 1.482 20 0 JDADLO CSCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001505250670 1072433259 /nfs/dbraw/zinc/43/32/59/1072433259.db2.gz WAOCKFHUEFNHQT-MSOLQXFVSA-N 1 2 457.666 1.482 20 0 JDADLO CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001505262872 1072438086 /nfs/dbraw/zinc/43/80/86/1072438086.db2.gz JYOQOHLFMMSQPB-MRXNPFEDSA-N 1 2 451.622 1.358 20 0 JDADLO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001505280658 1072452875 /nfs/dbraw/zinc/45/28/75/1072452875.db2.gz MWDPTYFTOLGOSJ-AEFFLSMTSA-N 1 2 482.651 1.625 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCC(C(N)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001546293748 1072457874 /nfs/dbraw/zinc/45/78/74/1072457874.db2.gz FZUMGWHDRSVPEA-GOSISDBHSA-N 1 2 456.591 1.842 20 0 JDADLO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCN1S(C)(=O)=O ZINC001505287161 1072467418 /nfs/dbraw/zinc/46/74/18/1072467418.db2.gz LUAQZPRSKDCHDQ-FRQCXROJSA-N 1 2 498.600 1.833 20 0 JDADLO C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001505294182 1072478265 /nfs/dbraw/zinc/47/82/65/1072478265.db2.gz SXVZVCWOIPZWGW-FUHWJXTLSA-N 1 2 493.634 1.124 20 0 JDADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)CS(=O)(=O)[C@@H]2C1 ZINC001546306346 1072870128 /nfs/dbraw/zinc/87/01/28/1072870128.db2.gz XRKPSICEGQWIBJ-YLFCFFPRSA-N 1 2 452.577 1.786 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001508222048 1072985841 /nfs/dbraw/zinc/98/58/41/1072985841.db2.gz OKUGASABJNTUHE-HXUWFJFHSA-N 1 2 492.621 1.510 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001508222048 1072985863 /nfs/dbraw/zinc/98/58/63/1072985863.db2.gz OKUGASABJNTUHE-HXUWFJFHSA-N 1 2 492.621 1.510 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001508222046 1072986013 /nfs/dbraw/zinc/98/60/13/1072986013.db2.gz OKUGASABJNTUHE-FQEVSTJZSA-N 1 2 492.621 1.510 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001508222046 1072986021 /nfs/dbraw/zinc/98/60/21/1072986021.db2.gz OKUGASABJNTUHE-FQEVSTJZSA-N 1 2 492.621 1.510 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N(C)Cc3cnc(C)s3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001508271103 1073038794 /nfs/dbraw/zinc/03/87/94/1073038794.db2.gz AKBBLUYGOVSWRU-HSZRJFAPSA-N 1 2 491.662 1.884 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3C[C@H](C)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001508271312 1073039353 /nfs/dbraw/zinc/03/93/53/1073039353.db2.gz CEUUAVIHRGBDQT-YDHSSHFGSA-N 1 2 464.611 1.096 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3CCN(C(=O)c4ccc(O)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001508272201 1073040172 /nfs/dbraw/zinc/04/01/72/1073040172.db2.gz FSWKSWFIJQEYCU-UHFFFAOYSA-N 1 2 483.617 1.408 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3CCC[C@H](Cn4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001508272387 1073040480 /nfs/dbraw/zinc/04/04/80/1073040480.db2.gz HJTZGCYORPQHEU-NRFANRHFSA-N 1 2 471.654 1.865 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC3CC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001508273123 1073041580 /nfs/dbraw/zinc/04/15/80/1073041580.db2.gz LFFCOAIRPDYWQS-MRXNPFEDSA-N 1 2 457.545 1.468 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001508274631 1073043453 /nfs/dbraw/zinc/04/34/53/1073043453.db2.gz ROYPQKBEHOUINS-OAQYLSRUSA-N 1 2 497.644 1.695 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001508274625 1073043544 /nfs/dbraw/zinc/04/35/44/1073043544.db2.gz RMYICIOTMXNCMH-RBUKOAKNSA-N 1 2 477.610 1.397 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N(C)CCC(F)(F)F)CC1 ZINC001508275203 1073045478 /nfs/dbraw/zinc/04/54/78/1073045478.db2.gz SZAKJIVDRSVUFV-UHFFFAOYSA-N 1 2 456.517 1.692 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001508275877 1073047036 /nfs/dbraw/zinc/04/70/36/1073047036.db2.gz XQIXHULKWUXIJT-UHFFFAOYSA-N 1 2 487.552 1.822 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001508276029 1073047582 /nfs/dbraw/zinc/04/75/82/1073047582.db2.gz YNIBYZFFTVHKRS-IBGZPJMESA-N 1 2 458.611 1.308 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001508276345 1073048077 /nfs/dbraw/zinc/04/80/77/1073048077.db2.gz AQMZIEYPQLKBKY-KBAYOESNSA-N 1 2 458.529 1.971 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001508276528 1073048602 /nfs/dbraw/zinc/04/86/02/1073048602.db2.gz CMRGTNOXNXBYPY-OAQYLSRUSA-N 1 2 455.607 1.679 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001508276471 1073048684 /nfs/dbraw/zinc/04/86/84/1073048684.db2.gz MPPLLGKAZBRRER-UHFFFAOYSA-N 1 2 463.627 1.834 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)c3nc(C)no3)CC2)CC1 ZINC001508276449 1073048720 /nfs/dbraw/zinc/04/87/20/1073048720.db2.gz BYBNWJZSFMCTKE-GOSISDBHSA-N 1 2 487.653 1.605 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N2CCC(NC(=O)C(C)C)CC2)CC1 ZINC001508276502 1073048818 /nfs/dbraw/zinc/04/88/18/1073048818.db2.gz CGIMQKJXOMXKQQ-FQEVSTJZSA-N 1 2 475.638 1.077 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCN(c3ccc(O)cc3)CC2)CC1 ZINC001508277247 1073049928 /nfs/dbraw/zinc/04/99/28/1073049928.db2.gz FYYYCPUXROJORW-UHFFFAOYSA-N 1 2 455.607 1.673 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 ZINC001508277010 1073050229 /nfs/dbraw/zinc/05/02/29/1073050229.db2.gz DPXAYNKJHXZPOG-QFIPXVFZSA-N 1 2 482.633 1.169 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001508278303 1073053436 /nfs/dbraw/zinc/05/34/36/1073053436.db2.gz QTNDWKLMVNOALG-SJORKVTESA-N 1 2 475.569 1.421 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)CCc2nccs2)CC1 ZINC001508278403 1073054002 /nfs/dbraw/zinc/05/40/02/1073054002.db2.gz KKZOPWJDQMKXNC-UHFFFAOYSA-N 1 2 454.604 1.563 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC001508278471 1073054532 /nfs/dbraw/zinc/05/45/32/1073054532.db2.gz LTXWXEVCBWNGMG-UHFFFAOYSA-N 1 2 473.601 1.287 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001508279008 1073055772 /nfs/dbraw/zinc/05/57/72/1073055772.db2.gz WSAAOVCGMMZBGC-ROUUACIJSA-N 1 2 460.554 1.946 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001508279067 1073056495 /nfs/dbraw/zinc/05/64/95/1073056495.db2.gz OVIOELADQKZRIC-HXUWFJFHSA-N 1 2 491.637 1.741 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N(C)CCOCc2ccccc2)CC1 ZINC001508279460 1073056823 /nfs/dbraw/zinc/05/68/23/1073056823.db2.gz QMYIWPRMJCMATB-HSZRJFAPSA-N 1 2 470.618 1.989 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccccc2F)CC1 ZINC001508279469 1073057357 /nfs/dbraw/zinc/05/73/57/1073057357.db2.gz QUCFRMNVIUNYBO-LJQANCHMSA-N 1 2 460.554 1.600 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001508279565 1073057571 /nfs/dbraw/zinc/05/75/71/1073057571.db2.gz SJEACXOWCQMBIM-CTNGQTDRSA-N 1 2 475.638 1.377 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCCCc2ccccc2)CC1 ZINC001508279856 1073058280 /nfs/dbraw/zinc/05/82/80/1073058280.db2.gz QTEQFIKCFSUFNV-QFIPXVFZSA-N 1 2 467.618 1.852 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001508279874 1073058463 /nfs/dbraw/zinc/05/84/63/1073058463.db2.gz QWOANODGFPNHBG-UHFFFAOYSA-N 1 2 461.611 1.624 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCOCc2ccccc2)CC1 ZINC001508279862 1073058562 /nfs/dbraw/zinc/05/85/62/1073058562.db2.gz QVVLGQKDFGHZMK-OAQYLSRUSA-N 1 2 469.590 1.046 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CC1 ZINC001508279971 1073058971 /nfs/dbraw/zinc/05/89/71/1073058971.db2.gz USVDOHUBDHAJBX-RTWAWAEBSA-N 1 2 475.638 1.425 20 0 JDADLO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001508318130 1073078536 /nfs/dbraw/zinc/07/85/36/1073078536.db2.gz VCQQMYCXAIWLIU-HXUWFJFHSA-N 1 2 497.625 1.963 20 0 JDADLO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001508326216 1073083911 /nfs/dbraw/zinc/08/39/11/1073083911.db2.gz BQFBOPNBLRTEDH-TZIWHRDSSA-N 1 2 456.591 1.991 20 0 JDADLO CC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001508327371 1073084840 /nfs/dbraw/zinc/08/48/40/1073084840.db2.gz LTBKFFRIOLOXQA-QFIPXVFZSA-N 1 2 483.617 1.422 20 0 JDADLO CC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001508327371 1073084852 /nfs/dbraw/zinc/08/48/52/1073084852.db2.gz LTBKFFRIOLOXQA-QFIPXVFZSA-N 1 2 483.617 1.422 20 0 JDADLO CC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001508327370 1073085106 /nfs/dbraw/zinc/08/51/06/1073085106.db2.gz LTBKFFRIOLOXQA-JOCHJYFZSA-N 1 2 483.617 1.422 20 0 JDADLO CC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001508327370 1073085128 /nfs/dbraw/zinc/08/51/28/1073085128.db2.gz LTBKFFRIOLOXQA-JOCHJYFZSA-N 1 2 483.617 1.422 20 0 JDADLO CC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001508327985 1073085315 /nfs/dbraw/zinc/08/53/15/1073085315.db2.gz YZPUCKCEPAMHOW-PZJWPPBQSA-N 1 2 456.591 1.725 20 0 JDADLO CC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001508327985 1073085326 /nfs/dbraw/zinc/08/53/26/1073085326.db2.gz YZPUCKCEPAMHOW-PZJWPPBQSA-N 1 2 456.591 1.725 20 0 JDADLO CC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001508327982 1073085427 /nfs/dbraw/zinc/08/54/27/1073085427.db2.gz YZPUCKCEPAMHOW-CTNGQTDRSA-N 1 2 456.591 1.725 20 0 JDADLO CC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001508327982 1073085445 /nfs/dbraw/zinc/08/54/45/1073085445.db2.gz YZPUCKCEPAMHOW-CTNGQTDRSA-N 1 2 456.591 1.725 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC001508376076 1073163258 /nfs/dbraw/zinc/16/32/58/1073163258.db2.gz MTYLZDZDVFZJLB-HXUWFJFHSA-N 1 2 471.606 1.488 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001508380980 1073175443 /nfs/dbraw/zinc/17/54/43/1073175443.db2.gz FWILKWOYRXUSOB-FPOVZHCZSA-N 1 2 488.658 1.941 20 0 JDADLO CC(=O)NCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001508382286 1073180349 /nfs/dbraw/zinc/18/03/49/1073180349.db2.gz UCOJBJPXQYNNDA-UHFFFAOYSA-N 1 2 454.373 1.330 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001508383355 1073184448 /nfs/dbraw/zinc/18/44/48/1073184448.db2.gz KTWDYFUSPTYXOE-REWPJTCUSA-N 1 2 486.617 1.536 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001508383801 1073184979 /nfs/dbraw/zinc/18/49/79/1073184979.db2.gz UEODWJBFKAKHAB-HXUWFJFHSA-N 1 2 450.547 1.502 20 0 JDADLO CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508390128 1073200093 /nfs/dbraw/zinc/20/00/93/1073200093.db2.gz QYIOPVPHHCMMFF-KRWDZBQOSA-N 1 2 489.024 1.653 20 0 JDADLO CC(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001508393104 1073202512 /nfs/dbraw/zinc/20/25/12/1073202512.db2.gz CBWGAMQNNOKLAX-NRFANRHFSA-N 1 2 474.631 1.337 20 0 JDADLO CC(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001508395784 1073205414 /nfs/dbraw/zinc/20/54/14/1073205414.db2.gz PMKVPKXEJWFHNR-UHFFFAOYSA-N 1 2 452.538 1.959 20 0 JDADLO CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001508396946 1073206725 /nfs/dbraw/zinc/20/67/25/1073206725.db2.gz GMSOYHBXVTVWKN-UHFFFAOYSA-N 1 2 454.604 1.877 20 0 JDADLO CC(=O)NCCCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001508400842 1073211189 /nfs/dbraw/zinc/21/11/89/1073211189.db2.gz GCVOBTWTGWYNQY-JOCHJYFZSA-N 1 2 461.655 1.693 20 0 JDADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001508407956 1073216512 /nfs/dbraw/zinc/21/65/12/1073216512.db2.gz IYTFNYHWLDMLHD-FXAWDEMLSA-N 1 2 462.620 1.707 20 0 JDADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001508407956 1073216534 /nfs/dbraw/zinc/21/65/34/1073216534.db2.gz IYTFNYHWLDMLHD-FXAWDEMLSA-N 1 2 462.620 1.707 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCOCC(F)F)CC1 ZINC001508429867 1073224719 /nfs/dbraw/zinc/22/47/19/1073224719.db2.gz BPHOMKCKGBIVGH-SJORKVTESA-N 1 2 456.538 1.197 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCC(=O)NC2CC2)CC1 ZINC001508430674 1073226077 /nfs/dbraw/zinc/22/60/77/1073226077.db2.gz CPCGUNNTOSMDKC-SFHVURJKSA-N 1 2 459.639 1.767 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCOC(C)(C)C)CC1 ZINC001508433023 1073230134 /nfs/dbraw/zinc/23/01/34/1073230134.db2.gz KRALHARKSMPDPO-GOSISDBHSA-N 1 2 456.595 1.683 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001508433819 1073232209 /nfs/dbraw/zinc/23/22/09/1073232209.db2.gz PUNJTDWDPFJJIC-MRXNPFEDSA-N 1 2 494.522 1.152 20 0 JDADLO CC(C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508436575 1073235511 /nfs/dbraw/zinc/23/55/11/1073235511.db2.gz WGTVZIYEEAOQHA-JPYJTQIMSA-N 1 2 458.611 1.219 20 0 JDADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001508437516 1073237166 /nfs/dbraw/zinc/23/71/66/1073237166.db2.gz YKFCZTMXEGPREF-MRXNPFEDSA-N 1 2 472.594 1.587 20 0 JDADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001508440386 1073242227 /nfs/dbraw/zinc/24/22/27/1073242227.db2.gz UCLZFLVBZRSFOV-IRXDYDNUSA-N 1 2 473.603 1.811 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001508439969 1073242345 /nfs/dbraw/zinc/24/23/45/1073242345.db2.gz OCGZPVXTYHUMPI-MOPGFXCFSA-N 1 2 499.641 1.951 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001508440390 1073242927 /nfs/dbraw/zinc/24/29/27/1073242927.db2.gz UCLZFLVBZRSFOV-SJORKVTESA-N 1 2 473.603 1.811 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001508442347 1073246443 /nfs/dbraw/zinc/24/64/43/1073246443.db2.gz NSWOBAGQEMMAKX-KURKYZTESA-N 1 2 475.681 1.314 20 0 JDADLO C[C@H]([C@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1)S(C)(=O)=O ZINC001508443262 1073247500 /nfs/dbraw/zinc/24/75/00/1073247500.db2.gz PQBZVYINZQPZFH-DLBZAZTESA-N 1 2 462.620 1.768 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508443436 1073247604 /nfs/dbraw/zinc/24/76/04/1073247604.db2.gz PQBZVYINZQPZFH-SJORKVTESA-N 1 2 462.620 1.768 20 0 JDADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508447471 1073252181 /nfs/dbraw/zinc/25/21/81/1073252181.db2.gz WGLRAUVEUGKAFF-OALUTQOASA-N 1 2 499.641 1.802 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001508622546 1073289774 /nfs/dbraw/zinc/28/97/74/1073289774.db2.gz IEUSTUHXYWYWTH-LJQANCHMSA-N 1 2 474.631 1.442 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CC1 ZINC001508623276 1073290496 /nfs/dbraw/zinc/29/04/96/1073290496.db2.gz MGHFLYKNUPDVSX-AWEZNQCLSA-N 1 2 457.551 1.741 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001508624829 1073292063 /nfs/dbraw/zinc/29/20/63/1073292063.db2.gz ZJPMUBYBSCSMSC-GOSISDBHSA-N 1 2 460.604 1.248 20 0 JDADLO CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001508670432 1073327105 /nfs/dbraw/zinc/32/71/05/1073327105.db2.gz YEYQSQQXEVFKPL-RBUKOAKNSA-N 1 2 494.637 1.970 20 0 JDADLO CC(C)(C)[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001508697881 1073340304 /nfs/dbraw/zinc/34/03/04/1073340304.db2.gz FOAQLOAHPFPKSP-AUOLZGSSSA-N 1 2 452.625 1.077 20 0 JDADLO CC(C)(C)[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001508699864 1073342179 /nfs/dbraw/zinc/34/21/79/1073342179.db2.gz GQVHGXVEBJMPLN-UPTQXZAWSA-N 1 2 466.652 1.106 20 0 JDADLO CC(C)(C)[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001508699861 1073342282 /nfs/dbraw/zinc/34/22/82/1073342282.db2.gz GQVHGXVEBJMPLN-CVCYQNGTSA-N 1 2 466.652 1.106 20 0 JDADLO CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001508701674 1073343408 /nfs/dbraw/zinc/34/34/08/1073343408.db2.gz VWGWUDRYGYDLMP-JJVXONKQSA-N 1 2 494.706 1.854 20 0 JDADLO CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001508701674 1073343423 /nfs/dbraw/zinc/34/34/23/1073343423.db2.gz VWGWUDRYGYDLMP-JJVXONKQSA-N 1 2 494.706 1.854 20 0 JDADLO CC(C)(Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001508720470 1073350824 /nfs/dbraw/zinc/35/08/24/1073350824.db2.gz GEPAJHCXMZUNAR-QZTJIDSGSA-N 1 2 470.640 1.006 20 0 JDADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001508775316 1073370264 /nfs/dbraw/zinc/37/02/64/1073370264.db2.gz XLZRNALLMHCGMW-SFTDATJTSA-N 1 2 489.665 1.612 20 0 JDADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001508779839 1073373183 /nfs/dbraw/zinc/37/31/83/1073373183.db2.gz NZCJHHBCZYJJHM-RTBURBONSA-N 1 2 464.636 1.183 20 0 JDADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001508779839 1073373199 /nfs/dbraw/zinc/37/31/99/1073373199.db2.gz NZCJHHBCZYJJHM-RTBURBONSA-N 1 2 464.636 1.183 20 0 JDADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001508779837 1073373346 /nfs/dbraw/zinc/37/33/46/1073373346.db2.gz NZCJHHBCZYJJHM-OALUTQOASA-N 1 2 464.636 1.183 20 0 JDADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001508779837 1073373356 /nfs/dbraw/zinc/37/33/56/1073373356.db2.gz NZCJHHBCZYJJHM-OALUTQOASA-N 1 2 464.636 1.183 20 0 JDADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001508779836 1073373505 /nfs/dbraw/zinc/37/35/05/1073373505.db2.gz NZCJHHBCZYJJHM-MOPGFXCFSA-N 1 2 464.636 1.183 20 0 JDADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001508779836 1073373514 /nfs/dbraw/zinc/37/35/14/1073373514.db2.gz NZCJHHBCZYJJHM-MOPGFXCFSA-N 1 2 464.636 1.183 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001508809377 1073389307 /nfs/dbraw/zinc/38/93/07/1073389307.db2.gz BMAFGYPSHJMUSN-RXVVDRJESA-N 1 2 472.590 1.720 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001508810966 1073390717 /nfs/dbraw/zinc/39/07/17/1073390717.db2.gz JHKOYSHQPSSEAO-CVDCTZTESA-N 1 2 480.679 1.936 20 0 JDADLO CC(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508820033 1073397091 /nfs/dbraw/zinc/39/70/91/1073397091.db2.gz CVHNJNWGNBPSAI-FQEVSTJZSA-N 1 2 499.635 1.913 20 0 JDADLO CC(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508826021 1073402017 /nfs/dbraw/zinc/40/20/17/1073402017.db2.gz PMBHFRMVIBWXPT-VQTJNVASSA-N 1 2 475.638 1.425 20 0 JDADLO CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCS(=O)CC1)[NH+]1CCOCC1 ZINC001508871605 1073431912 /nfs/dbraw/zinc/43/19/12/1073431912.db2.gz DYSLCLXTVVKVJB-LJQANCHMSA-N 1 2 465.595 1.922 20 0 JDADLO CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001509013715 1073476618 /nfs/dbraw/zinc/47/66/18/1073476618.db2.gz SUWZPXAOIIJJPF-AYLZSAKASA-N 1 2 461.632 1.875 20 0 JDADLO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001509042489 1073483110 /nfs/dbraw/zinc/48/31/10/1073483110.db2.gz NJTPPPVBFDEHOK-VAMGGRTRSA-N 1 2 484.667 1.204 20 0 JDADLO CC(C)Cc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001509137238 1073513298 /nfs/dbraw/zinc/51/32/98/1073513298.db2.gz TUIVIYWFVFKNAR-QFIPXVFZSA-N 1 2 470.618 1.673 20 0 JDADLO CC(C)Cc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001509137238 1073513315 /nfs/dbraw/zinc/51/33/15/1073513315.db2.gz TUIVIYWFVFKNAR-QFIPXVFZSA-N 1 2 470.618 1.673 20 0 JDADLO CC(C)Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001509179015 1073519400 /nfs/dbraw/zinc/51/94/00/1073519400.db2.gz QJRYPLHZSQSMNU-LJQANCHMSA-N 1 2 472.638 1.577 20 0 JDADLO CC(C)Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001509179015 1073519416 /nfs/dbraw/zinc/51/94/16/1073519416.db2.gz QJRYPLHZSQSMNU-LJQANCHMSA-N 1 2 472.638 1.577 20 0 JDADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001509208736 1073531849 /nfs/dbraw/zinc/53/18/49/1073531849.db2.gz UFVHBUUUNYYQRK-IBGZPJMESA-N 1 2 456.591 1.865 20 0 JDADLO CC(C)Cc1nnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1CCC(=O)NC(C)C ZINC001509210619 1073532898 /nfs/dbraw/zinc/53/28/98/1073532898.db2.gz GGXBCGICMCUALI-UHFFFAOYSA-N 1 2 485.637 1.345 20 0 JDADLO CC(C)Cc1nnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1CCC(=O)NC(C)C ZINC001509210619 1073532921 /nfs/dbraw/zinc/53/29/21/1073532921.db2.gz GGXBCGICMCUALI-UHFFFAOYSA-N 1 2 485.637 1.345 20 0 JDADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCN1CCOC1=O ZINC001509210184 1073533519 /nfs/dbraw/zinc/53/35/19/1073533519.db2.gz WTKCDAMWGUHTDR-LJQANCHMSA-N 1 2 461.611 1.452 20 0 JDADLO CC(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001509268404 1073556673 /nfs/dbraw/zinc/55/66/73/1073556673.db2.gz GWFHTANZGLXWQE-RBUKOAKNSA-N 1 2 483.683 1.457 20 0 JDADLO CC(C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001509354608 1073569398 /nfs/dbraw/zinc/56/93/98/1073569398.db2.gz RHHDKDYUYCECIT-IAGOWNOFSA-N 1 2 465.624 1.649 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)CC1=O ZINC001509405820 1073584297 /nfs/dbraw/zinc/58/42/97/1073584297.db2.gz GNWXLDOZEOLVKG-UHFFFAOYSA-N 1 2 454.579 1.716 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1=O ZINC001509406280 1073585542 /nfs/dbraw/zinc/58/55/42/1073585542.db2.gz HYRUVGXQLVLUAL-SFHVURJKSA-N 1 2 468.606 1.717 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001509428852 1073604337 /nfs/dbraw/zinc/60/43/37/1073604337.db2.gz NBYLYWWGHZRQPJ-ROUUACIJSA-N 1 2 492.612 1.842 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001509429746 1073605880 /nfs/dbraw/zinc/60/58/80/1073605880.db2.gz OQPMTIXHCIYSDK-QGZVFWFLSA-N 1 2 470.640 1.483 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001509441992 1073622454 /nfs/dbraw/zinc/62/24/54/1073622454.db2.gz JKDWUTMPRLSPOX-SQNIBIBYSA-N 1 2 465.624 1.350 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001509441992 1073622460 /nfs/dbraw/zinc/62/24/60/1073622460.db2.gz JKDWUTMPRLSPOX-SQNIBIBYSA-N 1 2 465.624 1.350 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001509441986 1073622499 /nfs/dbraw/zinc/62/24/99/1073622499.db2.gz JKDWUTMPRLSPOX-KURKYZTESA-N 1 2 465.624 1.350 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001509441986 1073622506 /nfs/dbraw/zinc/62/25/06/1073622506.db2.gz JKDWUTMPRLSPOX-KURKYZTESA-N 1 2 465.624 1.350 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001509443369 1073626694 /nfs/dbraw/zinc/62/66/94/1073626694.db2.gz NXEWKUZICSOCQP-AZUAARDMSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001509443369 1073626705 /nfs/dbraw/zinc/62/67/05/1073626705.db2.gz NXEWKUZICSOCQP-AZUAARDMSA-N 1 2 464.636 1.490 20 0 JDADLO CC(C)CSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001509494332 1073650608 /nfs/dbraw/zinc/65/06/08/1073650608.db2.gz ZYHGNCYKWSAWFY-RBUKOAKNSA-N 1 2 477.679 1.751 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001509572606 1073692072 /nfs/dbraw/zinc/69/20/72/1073692072.db2.gz XFOSXBZVOPULRN-RBUKOAKNSA-N 1 2 455.625 1.154 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001509572611 1073692144 /nfs/dbraw/zinc/69/21/44/1073692144.db2.gz XFOSXBZVOPULRN-RTBURBONSA-N 1 2 455.625 1.154 20 0 JDADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCNC(=O)C(C)(C)C)CC2)C1 ZINC001509581313 1073703720 /nfs/dbraw/zinc/70/37/20/1073703720.db2.gz TVEGGLSPPIOKIC-HXUWFJFHSA-N 1 2 477.698 1.969 20 0 JDADLO CC(C)N1CC[NH+]([C@H]2CCN(c3nnc(-c4cnccn4)n3CCNC(=O)C(C)(C)C)C2)CC1 ZINC001509582980 1073708681 /nfs/dbraw/zinc/70/86/81/1073708681.db2.gz XMQIQWOGMDCEHK-IBGZPJMESA-N 1 2 469.638 1.502 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001509585423 1073714912 /nfs/dbraw/zinc/71/49/12/1073714912.db2.gz LBNAPXDPLMIUEQ-GOSISDBHSA-N 1 2 458.611 1.774 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001509587857 1073718289 /nfs/dbraw/zinc/71/82/89/1073718289.db2.gz WILAIMFMBYJKDT-UHFFFAOYSA-N 1 2 488.618 1.167 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001509606377 1073730487 /nfs/dbraw/zinc/73/04/87/1073730487.db2.gz ICPPKMJHKFYXCP-UHFFFAOYSA-N 1 2 484.580 1.752 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001509610968 1073734730 /nfs/dbraw/zinc/73/47/30/1073734730.db2.gz JESFZNROAOUOFJ-QGZVFWFLSA-N 1 2 454.579 1.517 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001509643053 1073753302 /nfs/dbraw/zinc/75/33/02/1073753302.db2.gz GTMNTPISIVLMOT-LJQANCHMSA-N 1 2 489.646 1.863 20 0 JDADLO COC(=O)[C@@]1(C)CCCN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164389221 718805512 /nfs/dbraw/zinc/80/55/12/718805512.db2.gz HLCKXIAOKKJIOY-HSZRJFAPSA-N 1 2 474.631 1.807 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CCC5(CC(=O)CO5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164390789 718827740 /nfs/dbraw/zinc/82/77/40/718827740.db2.gz QZOWEARJFSYMDH-UHFFFAOYSA-N 1 2 486.642 1.604 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CC5(C4)CCCOC5)nc(N4CCOCC4)c3s2)CC1 ZINC001164414363 718883042 /nfs/dbraw/zinc/88/30/42/718883042.db2.gz SCUCLMZPEPRCBN-UHFFFAOYSA-N 1 2 458.632 1.892 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4C[C@@H]5OCC(F)(F)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164423544 718927083 /nfs/dbraw/zinc/92/70/83/718927083.db2.gz INMPDQOIZJTAKM-WMZOPIPTSA-N 1 2 480.585 1.746 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4C[C@@H]5OCC(F)(F)[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164423541 718927442 /nfs/dbraw/zinc/92/74/42/718927442.db2.gz INMPDQOIZJTAKM-AEFFLSMTSA-N 1 2 480.585 1.746 20 0 JDADLO CCOC(=O)c1nc2n(n1)CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164615565 719005092 /nfs/dbraw/zinc/00/50/92/719005092.db2.gz HNGYIGLWCGZIOE-UHFFFAOYSA-N 1 2 475.553 1.828 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)CC2)C1=O ZINC001164636949 719273263 /nfs/dbraw/zinc/27/32/63/719273263.db2.gz ZIEZOYGBSMPHLE-UHFFFAOYSA-N 1 2 452.559 1.122 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)CC2)C1=O ZINC001164636949 719273265 /nfs/dbraw/zinc/27/32/65/719273265.db2.gz ZIEZOYGBSMPHLE-UHFFFAOYSA-N 1 2 452.559 1.122 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C(=O)OC)ccc3NC(=O)C(C)(C)C)CC2)C1=O ZINC001164640810 719278343 /nfs/dbraw/zinc/27/83/43/719278343.db2.gz PPBQSOFXBAPCIG-UHFFFAOYSA-N 1 2 475.590 1.612 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C(=O)OC)ccc3NC(=O)C(C)(C)C)CC2)C1=O ZINC001164640810 719278346 /nfs/dbraw/zinc/27/83/46/719278346.db2.gz PPBQSOFXBAPCIG-UHFFFAOYSA-N 1 2 475.590 1.612 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)CC2)C1=O ZINC001164644476 719280545 /nfs/dbraw/zinc/28/05/45/719280545.db2.gz LCKDVIHZBDFZEN-UHFFFAOYSA-N 1 2 465.620 1.016 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)CC2)C1=O ZINC001164644476 719280546 /nfs/dbraw/zinc/28/05/46/719280546.db2.gz LCKDVIHZBDFZEN-UHFFFAOYSA-N 1 2 465.620 1.016 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C)nc(NC(=O)c4ccccc4)n3)CC2)C1=O ZINC001164644540 719283100 /nfs/dbraw/zinc/28/31/00/719283100.db2.gz NOSHFLTYDFSQEZ-UHFFFAOYSA-N 1 2 452.559 1.797 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C)nc(NC(=O)c4ccccc4)n3)CC2)C1=O ZINC001164644540 719283103 /nfs/dbraw/zinc/28/31/03/719283103.db2.gz NOSHFLTYDFSQEZ-UHFFFAOYSA-N 1 2 452.559 1.797 20 0 JDADLO 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COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(C(C)C)C2=O ZINC001164707821 719865503 /nfs/dbraw/zinc/86/55/03/719865503.db2.gz VSFHVRRXCNLJAK-SPLOXXLWSA-N 1 2 451.955 1.727 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2ccn(S(=O)(=O)c3ccccc3)c2n1 ZINC001164699062 719865947 /nfs/dbraw/zinc/86/59/47/719865947.db2.gz ABAHNBZOBWWXLO-CYFREDJKSA-N 1 2 499.593 1.901 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703733 719868293 /nfs/dbraw/zinc/86/82/93/719868293.db2.gz KHPJXMWQWNXWRV-DYESRHJHSA-N 1 2 454.593 1.345 20 0 JDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC001164704323 719868344 /nfs/dbraw/zinc/86/83/44/719868344.db2.gz KZSAQXNKLWQUBX-UTKZUKDTSA-N 1 2 452.577 1.099 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC001164699831 719868506 /nfs/dbraw/zinc/86/85/06/719868506.db2.gz BSWBDQCTIKOEJB-AVRDEDQJSA-N 1 2 466.604 1.489 20 0 JDADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nn2)C1 ZINC001164700543 719869504 /nfs/dbraw/zinc/86/95/04/719869504.db2.gz DVYHQTJTTTWJFR-IMWIBFENSA-N 1 2 475.590 1.489 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)N2CCOCC2)cc1Cl ZINC001164704405 719870217 /nfs/dbraw/zinc/87/02/17/719870217.db2.gz LUDQFCSNXZRBDF-HTAPYJJXSA-N 1 2 466.966 1.440 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1S(=O)(=O)N1CCCCC1 ZINC001164706482 719873436 /nfs/dbraw/zinc/87/34/36/719873436.db2.gz PPNSMODITRUKMT-AVRDEDQJSA-N 1 2 466.604 1.489 20 0 JDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)cc1C(=O)OCC ZINC001164702761 719879955 /nfs/dbraw/zinc/87/99/55/719879955.db2.gz PTQOUQMNLOJXQI-WAIKUNEKSA-N 1 2 463.531 1.668 20 0 JDADLO CCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1C(=O)OCC ZINC001164702768 719880026 /nfs/dbraw/zinc/88/00/26/719880026.db2.gz PTXCZFXDQSHZTB-QMHKHESXSA-N 1 2 463.531 1.668 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)nnc(Cl)c1N1CCOCC1 ZINC001164696755 719880748 /nfs/dbraw/zinc/88/07/48/719880748.db2.gz BDQKNNTVGPBQIR-JLTOFOAXSA-N 1 2 474.389 1.853 20 0 JDADLO COc1cc2ncc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2cc1OC ZINC001164709569 719906071 /nfs/dbraw/zinc/90/60/71/719906071.db2.gz YOECOHUODMBFFV-UHFFFAOYSA-N 1 2 451.531 1.331 20 0 JDADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708741 719906744 /nfs/dbraw/zinc/90/67/44/719906744.db2.gz JVAYSTFWIKQDOT-UHFFFAOYSA-N 1 2 494.021 1.712 20 0 JDADLO CCOC(=O)c1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C ZINC001164709362 719906766 /nfs/dbraw/zinc/90/67/66/719906766.db2.gz UNUMXBACZRFSEC-UHFFFAOYSA-N 1 2 460.966 1.904 20 0 JDADLO CCOC(=O)c1cc2cccnc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709233 719906861 /nfs/dbraw/zinc/90/68/61/719906861.db2.gz REASXKXAGCALQI-UHFFFAOYSA-N 1 2 463.542 1.490 20 0 JDADLO COC(=O)c1ccc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)n1 ZINC001164708658 719907132 /nfs/dbraw/zinc/90/71/32/719907132.db2.gz FKSADICIHNIOPV-UHFFFAOYSA-N 1 2 482.919 1.750 20 0 JDADLO CN(C)c1nc(-c2ccccc2)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708857 719913093 /nfs/dbraw/zinc/91/30/93/719913093.db2.gz KNIQJLMLMURMCA-UHFFFAOYSA-N 1 2 461.574 1.288 20 0 JDADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708998 719913322 /nfs/dbraw/zinc/91/33/22/719913322.db2.gz OVMSOBNNEIRMSP-UHFFFAOYSA-N 1 2 482.372 1.644 20 0 JDADLO COC(=O)c1cc2c(nc(Cl)nc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)[nH]1 ZINC001164708891 719913401 /nfs/dbraw/zinc/91/34/01/719913401.db2.gz MCAWJDBDPYRYNZ-UHFFFAOYSA-N 1 2 472.937 1.082 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)nc(N3CCOCC3)nc1Cl)CC2 ZINC001164709489 719913708 /nfs/dbraw/zinc/91/37/08/719913708.db2.gz WDCBYMKEPUVAKZ-UHFFFAOYSA-N 1 2 495.415 1.304 20 0 JDADLO CCOC(=O)c1cc2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)[nH]c-2n1 ZINC001164708378 719916185 /nfs/dbraw/zinc/91/61/85/719916185.db2.gz BMXNWDPXBBOWMB-UHFFFAOYSA-N 1 2 451.531 1.423 20 0 JDADLO CCOC(=O)c1cc2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2[nH]1 ZINC001164708378 719916198 /nfs/dbraw/zinc/91/61/98/719916198.db2.gz BMXNWDPXBBOWMB-UHFFFAOYSA-N 1 2 451.531 1.423 20 0 JDADLO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708089 719916607 /nfs/dbraw/zinc/91/66/07/719916607.db2.gz BXFNKRKADPHYDZ-PLNGDYQASA-N 1 2 463.542 1.433 20 0 JDADLO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708821 719916867 /nfs/dbraw/zinc/91/68/67/719916867.db2.gz SPFLWEJWQGFQCI-UHFFFAOYSA-N 1 2 490.612 1.699 20 0 JDADLO CC(C)n1cnc2c1nc(Cl)nc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709171 719918371 /nfs/dbraw/zinc/91/83/71/719918371.db2.gz PVIHCRQGUGBLGV-UHFFFAOYSA-N 1 2 457.970 1.744 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)CC2 ZINC001164709155 719922162 /nfs/dbraw/zinc/92/21/62/719922162.db2.gz ZTIOEDYYQYGQDN-UHFFFAOYSA-N 1 2 495.588 1.989 20 0 JDADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708635 719925188 /nfs/dbraw/zinc/92/51/88/719925188.db2.gz NVTRSKNEEDKOJC-QGZVFWFLSA-N 1 2 489.646 1.232 20 0 JDADLO CCOC(=O)c1sc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1C ZINC001164705432 719930941 /nfs/dbraw/zinc/93/09/41/719930941.db2.gz YQFFDLVHNOLHOE-UHFFFAOYSA-N 1 2 483.598 1.860 20 0 JDADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164702976 719934191 /nfs/dbraw/zinc/93/41/91/719934191.db2.gz IDWOCQLGHWUGEG-UHFFFAOYSA-N 1 2 497.934 1.535 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164703802 719938085 /nfs/dbraw/zinc/93/80/85/719938085.db2.gz NBVPGTIRCBIYLD-UHFFFAOYSA-N 1 2 482.614 1.212 20 0 JDADLO COC(=O)c1ccc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1Cl ZINC001164704806 720047244 /nfs/dbraw/zinc/04/72/44/720047244.db2.gz SJWLJYTZJYXWHO-UHFFFAOYSA-N 1 2 482.919 1.750 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164715831 720048998 /nfs/dbraw/zinc/04/89/98/720048998.db2.gz UQEYTJCSWVIYAB-UHFFFAOYSA-N 1 2 455.613 1.614 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccsc4c(N4CCOCC4)n3)C2)C1 ZINC001164719640 720222048 /nfs/dbraw/zinc/22/20/48/720222048.db2.gz RWYGMAJUVNXBNF-JOCHJYFZSA-N 1 2 460.604 1.193 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccsc4c(N4CCOCC4)n3)C2)C1 ZINC001164719640 720222061 /nfs/dbraw/zinc/22/20/61/720222061.db2.gz RWYGMAJUVNXBNF-JOCHJYFZSA-N 1 2 460.604 1.193 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C2)C1 ZINC001164716293 720225053 /nfs/dbraw/zinc/22/50/53/720225053.db2.gz BKRVPETYGFUZFZ-FQEVSTJZSA-N 1 2 488.967 1.176 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C2)C1 ZINC001164716293 720225059 /nfs/dbraw/zinc/22/50/59/720225059.db2.gz BKRVPETYGFUZFZ-FQEVSTJZSA-N 1 2 488.967 1.176 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(C(=O)OC)c3)C2)C1 ZINC001164720608 720235106 /nfs/dbraw/zinc/23/51/06/720235106.db2.gz YWLKYGFJBPJDLD-LJQANCHMSA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(C(=O)OC)c3)C2)C1 ZINC001164720608 720235115 /nfs/dbraw/zinc/23/51/15/720235115.db2.gz YWLKYGFJBPJDLD-LJQANCHMSA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C(=O)OC)nc3Cl)C2)C1 ZINC001164717577 720243420 /nfs/dbraw/zinc/24/34/20/720243420.db2.gz BLNSEUDXQBGHDG-IBGZPJMESA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C(=O)OC)nc3Cl)C2)C1 ZINC001164717577 720243424 /nfs/dbraw/zinc/24/34/24/720243424.db2.gz BLNSEUDXQBGHDG-IBGZPJMESA-N 1 2 460.909 1.731 20 0 JDADLO CC[C@@H]1C(=O)Nc2cnc(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164719805 720249337 /nfs/dbraw/zinc/24/93/37/720249337.db2.gz PBKAKSXPJWUATF-NLFFAJNJSA-N 1 2 485.633 1.621 20 0 JDADLO CC[C@@H]1C(=O)Nc2cnc(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164719805 720249347 /nfs/dbraw/zinc/24/93/47/720249347.db2.gz PBKAKSXPJWUATF-NLFFAJNJSA-N 1 2 485.633 1.621 20 0 JDADLO CC[C@H]1C(=O)N(C)c2cnc(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164720663 720249573 /nfs/dbraw/zinc/24/95/73/720249573.db2.gz ZPXITSIMSQFDCY-FNZWTVRRSA-N 1 2 499.660 1.645 20 0 JDADLO CC[C@H]1C(=O)N(C)c2cnc(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164720663 720249581 /nfs/dbraw/zinc/24/95/81/720249581.db2.gz ZPXITSIMSQFDCY-FNZWTVRRSA-N 1 2 499.660 1.645 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4cc(OC)c(OC)cc4nc3Cl)C2)C1 ZINC001164718991 720253288 /nfs/dbraw/zinc/25/32/88/720253288.db2.gz JZLGCFIPHQTHIC-JOCHJYFZSA-N 1 2 463.966 1.965 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4cc(OC)c(OC)cc4nc3Cl)C2)C1 ZINC001164718991 720253298 /nfs/dbraw/zinc/25/32/98/720253298.db2.gz JZLGCFIPHQTHIC-JOCHJYFZSA-N 1 2 463.966 1.965 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C2)C1 ZINC001164724215 720275957 /nfs/dbraw/zinc/27/59/57/720275957.db2.gz ZPQFDZNEDPEKAY-QHCPKHFHSA-N 1 2 489.598 1.337 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C2)C1 ZINC001164724215 720275959 /nfs/dbraw/zinc/27/59/59/720275959.db2.gz ZPQFDZNEDPEKAY-QHCPKHFHSA-N 1 2 489.598 1.337 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCc4ccccc43)C2)C1 ZINC001164723280 720283624 /nfs/dbraw/zinc/28/36/24/720283624.db2.gz VZHQNNVJNYOKTH-AREMUKBSSA-N 1 2 463.582 1.949 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCc4ccccc43)C2)C1 ZINC001164723280 720283630 /nfs/dbraw/zinc/28/36/30/720283630.db2.gz VZHQNNVJNYOKTH-AREMUKBSSA-N 1 2 463.582 1.949 20 0 JDADLO COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CCN4C)c12 ZINC001164819354 720372862 /nfs/dbraw/zinc/37/28/62/720372862.db2.gz DIWOELQIVACZIH-UHFFFAOYSA-N 1 2 469.571 1.823 20 0 JDADLO COC(=O)CSc1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164825976 720380284 /nfs/dbraw/zinc/38/02/84/720380284.db2.gz WDYBHVMJGRUQCL-UHFFFAOYSA-N 1 2 476.628 1.820 20 0 JDADLO COC(=O)CSc1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164825976 720380290 /nfs/dbraw/zinc/38/02/90/720380290.db2.gz WDYBHVMJGRUQCL-UHFFFAOYSA-N 1 2 476.628 1.820 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccnc(-n5ccccc5=O)n4)CC3)C2=O)cs1 ZINC001164820358 720381295 /nfs/dbraw/zinc/38/12/95/720381295.db2.gz OJJWBBBJFZSPES-UHFFFAOYSA-N 1 2 465.583 1.706 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccnc(-n5ccccc5=O)n4)CC3)C2=O)cs1 ZINC001164820358 720381301 /nfs/dbraw/zinc/38/13/01/720381301.db2.gz OJJWBBBJFZSPES-UHFFFAOYSA-N 1 2 465.583 1.706 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)NC5CCOCC5)nn4)CC3)C2=O)cs1 ZINC001164821319 720382316 /nfs/dbraw/zinc/38/23/16/720382316.db2.gz FQBKQLKDGXJMCH-UHFFFAOYSA-N 1 2 499.641 1.464 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)NC5CCOCC5)nn4)CC3)C2=O)cs1 ZINC001164821319 720382323 /nfs/dbraw/zinc/38/23/23/720382323.db2.gz FQBKQLKDGXJMCH-UHFFFAOYSA-N 1 2 499.641 1.464 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)ccc4S(N)(=O)=O)CC3)C2=O)cs1 ZINC001164821838 720382681 /nfs/dbraw/zinc/38/26/81/720382681.db2.gz JHAHNCMZRWEYJH-UHFFFAOYSA-N 1 2 485.035 1.461 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)ccc4S(N)(=O)=O)CC3)C2=O)cs1 ZINC001164821838 720382685 /nfs/dbraw/zinc/38/26/85/720382685.db2.gz JHAHNCMZRWEYJH-UHFFFAOYSA-N 1 2 485.035 1.461 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001164823065 720428658 /nfs/dbraw/zinc/42/86/58/720428658.db2.gz HJWDLQSVZMNGBN-LJQANCHMSA-N 1 2 454.575 1.504 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164824919 720432413 /nfs/dbraw/zinc/43/24/13/720432413.db2.gz MMQKVPMQKVGVEC-AWEZNQCLSA-N 1 2 484.935 1.565 20 0 JDADLO COC(=O)c1ccc2cnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2c1 ZINC001164824552 720437141 /nfs/dbraw/zinc/43/71/41/720437141.db2.gz NXIAZWDOJPKGHD-IBGZPJMESA-N 1 2 466.542 1.603 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc4c(cc31)OCCO4)C2 ZINC001164825749 720437848 /nfs/dbraw/zinc/43/78/48/720437848.db2.gz UTQAPNJFQLWNDY-KRWDZBQOSA-N 1 2 466.542 1.587 20 0 JDADLO COc1cc2ncc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2cc1OC ZINC001164825561 720449289 /nfs/dbraw/zinc/44/92/89/720449289.db2.gz SGFRLMIWSVNVBZ-KRWDZBQOSA-N 1 2 468.558 1.833 20 0 JDADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cc1OCC ZINC001164826983 720449636 /nfs/dbraw/zinc/44/96/36/720449636.db2.gz XQTFEPDMVOPMRZ-GOSISDBHSA-N 1 2 473.574 1.843 20 0 JDADLO CCOC(=O)c1ccc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164825089 720453634 /nfs/dbraw/zinc/45/36/34/720453634.db2.gz PYKNHHZZMIFHIF-LJQANCHMSA-N 1 2 480.569 1.993 20 0 JDADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(OC)c1 ZINC001164831779 720460074 /nfs/dbraw/zinc/46/00/74/720460074.db2.gz QFZCIFBGOAPGAV-GOSISDBHSA-N 1 2 459.547 1.453 20 0 JDADLO COC(=O)/C=C\c1cc2cc[nH]c2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164832642 720465274 /nfs/dbraw/zinc/46/52/74/720465274.db2.gz UQZNEZFHYMQDFP-ZRHASKPBSA-N 1 2 480.569 1.935 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(CO)ccc1NC(=O)C(C)(C)C)C2 ZINC001164832331 720465651 /nfs/dbraw/zinc/46/56/51/720465651.db2.gz UNXXRAVCBKEXSA-GOSISDBHSA-N 1 2 486.617 1.745 20 0 JDADLO CC(C)N1Cc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C1=O ZINC001164832635 720468520 /nfs/dbraw/zinc/46/85/20/720468520.db2.gz UPFOQZNLJUTJSM-INIZCTEOSA-N 1 2 490.008 1.680 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832251 720471268 /nfs/dbraw/zinc/47/12/68/720471268.db2.gz RVSCIHALPPYYEN-IBGZPJMESA-N 1 2 492.646 1.298 20 0 JDADLO CN(C)C(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164829169 720472282 /nfs/dbraw/zinc/47/22/82/720472282.db2.gz DAGFNGQJTWSBDL-KRWDZBQOSA-N 1 2 462.982 1.623 20 0 JDADLO CCOC(=O)c1cnc(CC)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164832783 720477581 /nfs/dbraw/zinc/47/75/81/720477581.db2.gz KUXBOIRCWVBCAN-QGZVFWFLSA-N 1 2 458.563 1.402 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164830475 720483518 /nfs/dbraw/zinc/48/35/18/720483518.db2.gz BURGRIYIVJISHG-HNNXBMFYSA-N 1 2 457.909 1.704 20 0 JDADLO CCOC(=O)[C@@H]1CCc2nnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)cc2C1 ZINC001164834078 720484096 /nfs/dbraw/zinc/48/40/96/720484096.db2.gz RHVZATYEVHPMSG-UYAOXDASSA-N 1 2 484.601 1.331 20 0 JDADLO CN(C)c1cc(Cl)nc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)n1 ZINC001164857754 720895283 /nfs/dbraw/zinc/89/52/83/720895283.db2.gz JOARXWUPXHWZPC-UHFFFAOYSA-N 1 2 450.881 1.953 20 0 JDADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c1 ZINC001164858726 720896116 /nfs/dbraw/zinc/89/61/16/720896116.db2.gz OADYLYDJRFSYRY-UHFFFAOYSA-N 1 2 485.904 1.139 20 0 JDADLO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC2)C1 ZINC001164873352 721285082 /nfs/dbraw/zinc/28/50/82/721285082.db2.gz LLLSVWAWPVPWJH-UHFFFAOYSA-N 1 2 457.913 1.510 20 0 JDADLO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC2)C1 ZINC001164873352 721285090 /nfs/dbraw/zinc/28/50/90/721285090.db2.gz LLLSVWAWPVPWJH-UHFFFAOYSA-N 1 2 457.913 1.510 20 0 JDADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)CNC3)[C@H]2CCCO[C@H]12 ZINC001164802333 721573857 /nfs/dbraw/zinc/57/38/57/721573857.db2.gz ICHQCMUPNSGFOL-BDTNDASRSA-N 1 2 451.575 1.180 20 0 JDADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)CNC3)[C@H]2CCCO[C@H]12 ZINC001164802333 721573860 /nfs/dbraw/zinc/57/38/60/721573860.db2.gz ICHQCMUPNSGFOL-BDTNDASRSA-N 1 2 451.575 1.180 20 0 JDADLO COCCN1C[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1=O ZINC001164905447 721574497 /nfs/dbraw/zinc/57/44/97/721574497.db2.gz ZMMVZJZFUCJEAB-JTHBVZDNSA-N 1 2 463.582 1.581 20 0 JDADLO COCCN1C[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1=O ZINC001164905442 721574552 /nfs/dbraw/zinc/57/45/52/721574552.db2.gz ZMMVZJZFUCJEAB-GGAORHGYSA-N 1 2 463.582 1.581 20 0 JDADLO CN(C)C(=O)COCc1nnc2n1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001165011289 721723008 /nfs/dbraw/zinc/72/30/08/721723008.db2.gz OOOUFZHQIKSPLK-UHFFFAOYSA-N 1 2 462.558 1.251 20 0 JDADLO CN(C)C(=O)COCc1nnc2n1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001165011289 721723015 /nfs/dbraw/zinc/72/30/15/721723015.db2.gz OOOUFZHQIKSPLK-UHFFFAOYSA-N 1 2 462.558 1.251 20 0 JDADLO 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/nfs/dbraw/zinc/53/81/76/1069538176.db2.gz OZDVJTPADOMZKP-IEBWSBKVSA-N 1 2 450.609 1.726 20 0 JDADLO CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001501471475 1069539463 /nfs/dbraw/zinc/53/94/63/1069539463.db2.gz IMNNLFGTDRKMSU-SFHVURJKSA-N 1 2 465.599 1.207 20 0 JDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC001475852489 1069563682 /nfs/dbraw/zinc/56/36/82/1069563682.db2.gz YDYYICXSLRSJRH-WMZOPIPTSA-N 1 2 451.593 1.304 20 0 JDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC001475851666 1069563780 /nfs/dbraw/zinc/56/37/80/1069563780.db2.gz JPSVFIRWJJTKSS-UHFFFAOYSA-N 1 2 451.574 1.236 20 0 JDADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001475861416 1069566556 /nfs/dbraw/zinc/56/65/56/1069566556.db2.gz TZCFHYVFXYVROY-QGZVFWFLSA-N 1 2 457.622 1.787 20 0 JDADLO COCC(=O)Nc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC001475867751 1069567232 /nfs/dbraw/zinc/56/72/32/1069567232.db2.gz APMGZHPEWIGPHO-UHFFFAOYSA-N 1 2 455.519 1.252 20 0 JDADLO COCC(=O)Nc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC001475867751 1069567233 /nfs/dbraw/zinc/56/72/33/1069567233.db2.gz APMGZHPEWIGPHO-UHFFFAOYSA-N 1 2 455.519 1.252 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001475946943 1069579492 /nfs/dbraw/zinc/57/94/92/1069579492.db2.gz KMPRFYSRGNQRJK-UHFFFAOYSA-N 1 2 453.521 1.087 20 0 JDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 ZINC001476084731 1069595947 /nfs/dbraw/zinc/59/59/47/1069595947.db2.gz IBEFZMOHDKOASO-QFIPXVFZSA-N 1 2 452.555 1.975 20 0 JDADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC001476177553 1069625059 /nfs/dbraw/zinc/62/50/59/1069625059.db2.gz XYBSIPLCHUONFM-DZGCQCFKSA-N 1 2 450.483 1.854 20 0 JDADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC001476177554 1069625154 /nfs/dbraw/zinc/62/51/54/1069625154.db2.gz XYBSIPLCHUONFM-HIFRSBDPSA-N 1 2 450.483 1.854 20 0 JDADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)cc1 ZINC001476179073 1069626648 /nfs/dbraw/zinc/62/66/48/1069626648.db2.gz LJKOGFCNHQVVPV-UHFFFAOYSA-N 1 2 455.563 1.598 20 0 JDADLO Cc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1N1CCCS1(=O)=O ZINC001476182920 1069631364 /nfs/dbraw/zinc/63/13/64/1069631364.db2.gz ZCKMZOHNJMRUPA-HXUWFJFHSA-N 1 2 454.618 1.864 20 0 JDADLO CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)cn1 ZINC001476191616 1069637426 /nfs/dbraw/zinc/63/74/26/1069637426.db2.gz JUSSWXGAHYYZPE-UHFFFAOYSA-N 1 2 455.544 1.458 20 0 JDADLO NC(=O)[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(Br)c1 ZINC001476204528 1069643894 /nfs/dbraw/zinc/64/38/94/1069643894.db2.gz KSENZEGAOJHCJB-MRXNPFEDSA-N 1 2 451.325 1.326 20 0 JDADLO NC(=O)[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(Br)c1 ZINC001476204527 1069642772 /nfs/dbraw/zinc/64/27/72/1069642772.db2.gz KSENZEGAOJHCJB-INIZCTEOSA-N 1 2 451.325 1.326 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(OC)CCOC2)CC1 ZINC001501781015 1069666613 /nfs/dbraw/zinc/66/66/13/1069666613.db2.gz UDAFUPLDNHWRCI-HSZRJFAPSA-N 1 2 492.024 1.789 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccn(C)n2)CC1 ZINC001501780438 1069665426 /nfs/dbraw/zinc/66/54/26/1069665426.db2.gz LUVLUIAQGHCLJS-UHFFFAOYSA-N 1 2 454.579 1.813 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCOC2)CC1 ZINC001501780757 1069666891 /nfs/dbraw/zinc/66/68/91/1069666891.db2.gz PMTUMBOXRKRTBE-QHCPKHFHSA-N 1 2 477.009 1.740 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNC(C)=O)CC1 ZINC001501781123 1069668108 /nfs/dbraw/zinc/66/81/08/1069668108.db2.gz XKURREOXPMNTMN-UHFFFAOYSA-N 1 2 485.589 1.190 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001501782867 1069669091 /nfs/dbraw/zinc/66/90/91/1069669091.db2.gz DAEGUEWOGQBWJJ-IRLDBZIGSA-N 1 2 485.633 1.690 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)NC)CC1 ZINC001501782795 1069669198 /nfs/dbraw/zinc/66/91/98/1069669198.db2.gz AGDQXWXQMZWPFN-UHFFFAOYSA-N 1 2 480.617 1.563 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001501783346 1069670610 /nfs/dbraw/zinc/67/06/10/1069670610.db2.gz KACPCFPITVWSIN-UHFFFAOYSA-N 1 2 472.544 1.996 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001501783349 1069671577 /nfs/dbraw/zinc/67/15/77/1069671577.db2.gz KDMOMPMMOAVQNN-DEOSSOPVSA-N 1 2 470.622 1.667 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001501783534 1069672831 /nfs/dbraw/zinc/67/28/31/1069672831.db2.gz MQRBOBHLTVEPBA-LJQANCHMSA-N 1 2 470.622 1.189 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)SC)CC1 ZINC001501783377 1069672881 /nfs/dbraw/zinc/67/28/81/1069672881.db2.gz LCUATZHPEFSWPI-INIZCTEOSA-N 1 2 477.635 1.748 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)C(C)C)CC1 ZINC001501783521 1069673582 /nfs/dbraw/zinc/67/35/82/1069673582.db2.gz MEPGEYDTKBVZJP-UHFFFAOYSA-N 1 2 470.622 1.411 20 0 JDADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001501783833 1069675973 /nfs/dbraw/zinc/67/59/73/1069675973.db2.gz QTSWDGRCALZKLL-HSZRJFAPSA-N 1 2 484.630 1.695 20 0 JDADLO Cc1c(C(F)(F)F)nn(C)c1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001476378118 1069699434 /nfs/dbraw/zinc/69/94/34/1069699434.db2.gz VVKROFDWLOEYBA-UHFFFAOYSA-N 1 2 454.457 1.728 20 0 JDADLO Cc1c(C(F)(F)F)nn(C)c1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001476378118 1069699489 /nfs/dbraw/zinc/69/94/89/1069699489.db2.gz VVKROFDWLOEYBA-UHFFFAOYSA-N 1 2 454.457 1.728 20 0 JDADLO COc1ccc(Cn2nccc2NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c(OC)c1 ZINC001476466774 1069717737 /nfs/dbraw/zinc/71/77/37/1069717737.db2.gz GLYCIUNDPSIYRU-QHCPKHFHSA-N 1 2 459.547 1.686 20 0 JDADLO COc1ccc(Cn2nccc2NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c(OC)c1 ZINC001476466774 1069717765 /nfs/dbraw/zinc/71/77/65/1069717765.db2.gz GLYCIUNDPSIYRU-QHCPKHFHSA-N 1 2 459.547 1.686 20 0 JDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC001476468224 1069718308 /nfs/dbraw/zinc/71/83/08/1069718308.db2.gz GYUXHFXJTNQYTK-INIZCTEOSA-N 1 2 457.453 1.987 20 0 JDADLO COc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC001476512627 1069732245 /nfs/dbraw/zinc/73/22/45/1069732245.db2.gz IPVNLILZKSVDPX-SJLPKXTDSA-N 1 2 452.577 1.807 20 0 JDADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(=O)NC)CC2)c[nH+]1 ZINC001501830357 1069741342 /nfs/dbraw/zinc/74/13/42/1069741342.db2.gz LMCYKDXFHSJLAG-UHFFFAOYSA-N 1 2 468.606 1.766 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CO)CC2)c[nH+]1 ZINC001501831542 1069742453 /nfs/dbraw/zinc/74/24/53/1069742453.db2.gz XYLVGRPFLFHUNB-INIZCTEOSA-N 1 2 465.624 1.387 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)c[nH+]1 ZINC001501840383 1069743958 /nfs/dbraw/zinc/74/39/58/1069743958.db2.gz FSMFBXRCMAVEBY-IBGZPJMESA-N 1 2 491.662 1.980 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)c[nH+]1 ZINC001501840455 1069744469 /nfs/dbraw/zinc/74/44/69/1069744469.db2.gz HBBUORPMHWVHJD-HXUWFJFHSA-N 1 2 498.632 1.245 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)c[nH+]1 ZINC001501841035 1069746224 /nfs/dbraw/zinc/74/62/24/1069746224.db2.gz WATFJPIBVOAJHG-SFHVURJKSA-N 1 2 463.608 1.501 20 0 JDADLO CCN(CC)c1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCNC(=O)CC2)c[nH+]1 ZINC001501847482 1069747564 /nfs/dbraw/zinc/74/75/64/1069747564.db2.gz POXGYHWGZDKDLJ-RXVVDRJESA-N 1 2 457.579 1.618 20 0 JDADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001477240590 1069806185 /nfs/dbraw/zinc/80/61/85/1069806185.db2.gz FAEKNURXTFSYLD-RQZFFVEVSA-N 1 2 451.589 1.373 20 0 JDADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001477240590 1069806186 /nfs/dbraw/zinc/80/61/86/1069806186.db2.gz FAEKNURXTFSYLD-RQZFFVEVSA-N 1 2 451.589 1.373 20 0 JDADLO CC(C)CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001477241901 1069806632 /nfs/dbraw/zinc/80/66/32/1069806632.db2.gz RHIAWNJXEXSWHO-NRFANRHFSA-N 1 2 452.621 1.637 20 0 JDADLO CC(C)CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001477241901 1069806633 /nfs/dbraw/zinc/80/66/33/1069806633.db2.gz RHIAWNJXEXSWHO-NRFANRHFSA-N 1 2 452.621 1.637 20 0 JDADLO CC(C)O[C@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC001477274895 1069809698 /nfs/dbraw/zinc/80/96/98/1069809698.db2.gz CWKSANFQTSUEOA-MSOLQXFVSA-N 1 2 453.609 1.425 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCC2(CCCC2)O1 ZINC001477275078 1069809897 /nfs/dbraw/zinc/80/98/97/1069809897.db2.gz JOYKRZLZWPDAOM-SFHVURJKSA-N 1 2 451.593 1.324 20 0 JDADLO 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CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001477412550 1069821025 /nfs/dbraw/zinc/82/10/25/1069821025.db2.gz YPIYAOHPSKHDLL-VQIMIIECSA-N 1 2 451.593 1.107 20 0 JDADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001477430532 1069823667 /nfs/dbraw/zinc/82/36/67/1069823667.db2.gz HTHKMALDFYSOMO-IBGZPJMESA-N 1 2 453.609 1.654 20 0 JDADLO CCN(CC1CCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001502106539 1069824249 /nfs/dbraw/zinc/82/42/49/1069824249.db2.gz NRCITSJHWPMQQX-IBGZPJMESA-N 1 2 484.667 1.348 20 0 JDADLO CCN(CC1CCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001502106539 1069824251 /nfs/dbraw/zinc/82/42/51/1069824251.db2.gz NRCITSJHWPMQQX-IBGZPJMESA-N 1 2 484.667 1.348 20 0 JDADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC001477443705 1069824812 /nfs/dbraw/zinc/82/48/12/1069824812.db2.gz QDXXWFJOFNTATH-JOCHJYFZSA-N 1 2 452.555 1.998 20 0 JDADLO 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/nfs/dbraw/zinc/15/96/32/1070159632.db2.gz ZKVQLLNYVAWMIF-NVXWUHKLSA-N 1 2 464.592 1.171 20 0 JDADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)C[C@@H]1C ZINC001502328110 1070159787 /nfs/dbraw/zinc/15/97/87/1070159787.db2.gz ZJFJDIPRYPGOOX-PKOBYXMFSA-N 1 2 461.632 1.986 20 0 JDADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)C[C@@H]1C ZINC001502328110 1070159797 /nfs/dbraw/zinc/15/97/97/1070159797.db2.gz ZJFJDIPRYPGOOX-PKOBYXMFSA-N 1 2 461.632 1.986 20 0 JDADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001479596002 1070171545 /nfs/dbraw/zinc/17/15/45/1070171545.db2.gz LKWHASYAHJMEMI-VDGAXYAQSA-N 1 2 451.999 1.516 20 0 JDADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001479596002 1070171559 /nfs/dbraw/zinc/17/15/59/1070171559.db2.gz LKWHASYAHJMEMI-VDGAXYAQSA-N 1 2 451.999 1.516 20 0 JDADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3nc(C)c(C)s3)C2)CC1 ZINC001502332281 1070171888 /nfs/dbraw/zinc/17/18/88/1070171888.db2.gz HEBLOJMLTSHZSD-LJQANCHMSA-N 1 2 474.679 1.949 20 0 JDADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(COC)CCOCC3)C2)CC1 ZINC001502333030 1070175095 /nfs/dbraw/zinc/17/50/95/1070175095.db2.gz YPWIIPCYSQUJEY-FQEVSTJZSA-N 1 2 477.654 1.076 20 0 JDADLO Cc1cc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)CC2)on1 ZINC001493152055 1070216525 /nfs/dbraw/zinc/21/65/25/1070216525.db2.gz ACMLOIVYLQESNS-UHFFFAOYSA-N 1 2 474.610 1.146 20 0 JDADLO Cc1cc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCOC(C)(C)C3)CC2)on1 ZINC001493152055 1070216566 /nfs/dbraw/zinc/21/65/66/1070216566.db2.gz ACMLOIVYLQESNS-UHFFFAOYSA-N 1 2 474.610 1.146 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCCN3S(C)(=O)=O)CC2)on1 ZINC001493153743 1070217370 /nfs/dbraw/zinc/21/73/70/1070217370.db2.gz QVKIPVOCRHZIPB-QGZVFWFLSA-N 1 2 465.624 1.618 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC3(F)CCC3)CC2)on1 ZINC001493153785 1070218576 /nfs/dbraw/zinc/21/85/76/1070218576.db2.gz SOEPDBWIYCLRKH-INIZCTEOSA-N 1 2 469.587 1.789 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CCCCO3)CC2)on1 ZINC001493154023 1070219098 /nfs/dbraw/zinc/21/90/98/1070219098.db2.gz XCOGZDQFACOWJA-IAGOWNOFSA-N 1 2 467.596 1.076 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CC(=O)NCC(F)(F)F)CC2)on1 ZINC001493157662 1070221888 /nfs/dbraw/zinc/22/18/88/1070221888.db2.gz UKZLFKSRNKQCRK-CQSZACIVSA-N 1 2 457.457 1.079 20 0 JDADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CC(=O)NCC(F)(F)F)CC2)on1 ZINC001493157661 1070222208 /nfs/dbraw/zinc/22/22/08/1070222208.db2.gz UKZLFKSRNKQCRK-AWEZNQCLSA-N 1 2 457.457 1.079 20 0 JDADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001493243886 1070265390 /nfs/dbraw/zinc/26/53/90/1070265390.db2.gz IURRUGSBNLTKRB-OTWHNJEPSA-N 1 2 484.667 1.204 20 0 JDADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC001546233237 1070268794 /nfs/dbraw/zinc/26/87/94/1070268794.db2.gz PTVCLWJYUAMVDA-UHFFFAOYSA-N 1 2 459.572 1.247 20 0 JDADLO C[C@@H]1C[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001493341010 1070294511 /nfs/dbraw/zinc/29/45/11/1070294511.db2.gz NAHHTEGGMAMVCK-MSOLQXFVSA-N 1 2 462.620 1.853 20 0 JDADLO C[C@H]1C[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001493341016 1070294802 /nfs/dbraw/zinc/29/48/02/1070294802.db2.gz NAHHTEGGMAMVCK-ROUUACIJSA-N 1 2 462.620 1.853 20 0 JDADLO CCn1nc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC[N@@H+]2CCOC[C@H]2C)c2ccccc2c1=O ZINC001502361779 1070305675 /nfs/dbraw/zinc/30/56/75/1070305675.db2.gz PAFSYQSMIWECBM-ZWKOTPCHSA-N 1 2 496.616 1.214 20 0 JDADLO CCn1nc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC[N@H+]2CCOC[C@H]2C)c2ccccc2c1=O ZINC001502361779 1070305696 /nfs/dbraw/zinc/30/56/96/1070305696.db2.gz PAFSYQSMIWECBM-ZWKOTPCHSA-N 1 2 496.616 1.214 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001502372131 1070318566 /nfs/dbraw/zinc/31/85/66/1070318566.db2.gz CEJFJWRXDTVALP-GOSISDBHSA-N 1 2 497.644 1.905 20 0 JDADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)C)CC1 ZINC001493651556 1070324846 /nfs/dbraw/zinc/32/48/46/1070324846.db2.gz UPLWTNHGEXDDIW-KRWDZBQOSA-N 1 2 489.024 1.605 20 0 JDADLO CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001502391309 1070334425 /nfs/dbraw/zinc/33/44/25/1070334425.db2.gz IDWOVMCFGVYKLT-GOSISDBHSA-N 1 2 463.627 1.110 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493872651 1070367411 /nfs/dbraw/zinc/36/74/11/1070367411.db2.gz GBWDOEPBEHZGHK-UHFFFAOYSA-N 1 2 492.650 1.081 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@@H]2C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493873022 1070367500 /nfs/dbraw/zinc/36/75/00/1070367500.db2.gz IZHMVGHDDDGTPH-ZWKOTPCHSA-N 1 2 477.635 1.793 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@@H]2C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493873021 1070367630 /nfs/dbraw/zinc/36/76/30/1070367630.db2.gz IZHMVGHDDDGTPH-ROUUACIJSA-N 1 2 477.635 1.793 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493874102 1070368059 /nfs/dbraw/zinc/36/80/59/1070368059.db2.gz RTWSJHGUAWXERT-GOSISDBHSA-N 1 2 468.606 1.763 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001493873657 1070368297 /nfs/dbraw/zinc/36/82/97/1070368297.db2.gz OLIGPYWTLLXEJJ-SJORKVTESA-N 1 2 492.650 1.268 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001502424515 1070368662 /nfs/dbraw/zinc/36/86/62/1070368662.db2.gz MFQUSXIDXPIUGI-UHFFFAOYSA-N 1 2 495.584 1.672 20 0 JDADLO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)[C@@H]1C ZINC001493972493 1070373430 /nfs/dbraw/zinc/37/34/30/1070373430.db2.gz KCIJDNZBTVDXHD-KZNAEPCWSA-N 1 2 463.608 1.743 20 0 JDADLO CCNC(=O)CN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001502434593 1070391540 /nfs/dbraw/zinc/39/15/40/1070391540.db2.gz FMXKTZIQNDSFDH-UHFFFAOYSA-N 1 2 483.646 1.401 20 0 JDADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001494114748 1070402017 /nfs/dbraw/zinc/40/20/17/1070402017.db2.gz PSQHXIIFTFJBRN-XOKHGSTOSA-N 1 2 461.517 1.477 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001502438482 1070408469 /nfs/dbraw/zinc/40/84/69/1070408469.db2.gz OHMOZVDDDXXKIX-UHFFFAOYSA-N 1 2 478.561 1.286 20 0 JDADLO CC(C)c1nnc(N(C)CCCS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494127262 1070412688 /nfs/dbraw/zinc/41/26/88/1070412688.db2.gz GNTDIGQRDUHZJC-QGZVFWFLSA-N 1 2 450.609 1.941 20 0 JDADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494126779 1070412806 /nfs/dbraw/zinc/41/28/06/1070412806.db2.gz DYWBVKKAMMQJOW-DLBZAZTESA-N 1 2 473.603 1.811 20 0 JDADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494126785 1070413176 /nfs/dbraw/zinc/41/31/76/1070413176.db2.gz DYWBVKKAMMQJOW-SJORKVTESA-N 1 2 473.603 1.811 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494127297 1070414722 /nfs/dbraw/zinc/41/47/22/1070414722.db2.gz HKYWCWJVZRRWJB-CVEARBPZSA-N 1 2 463.608 1.403 20 0 JDADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494130652 1070418487 /nfs/dbraw/zinc/41/84/87/1070418487.db2.gz VCRIZDUDVCBAGN-BRWVUGGUSA-N 1 2 463.608 1.545 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494134774 1070422498 /nfs/dbraw/zinc/42/24/98/1070422498.db2.gz ANNOJPZRMMXYIF-QZTJIDSGSA-N 1 2 464.574 1.632 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494134771 1070423286 /nfs/dbraw/zinc/42/32/86/1070423286.db2.gz ANNOJPZRMMXYIF-MSOLQXFVSA-N 1 2 464.574 1.632 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001494135325 1070424718 /nfs/dbraw/zinc/42/47/18/1070424718.db2.gz DNDGVYOWNGFCEJ-ROUUACIJSA-N 1 2 464.574 1.632 20 0 JDADLO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC001494139893 1070435364 /nfs/dbraw/zinc/43/53/64/1070435364.db2.gz KXDKJSAQYMRJOZ-RBUKOAKNSA-N 1 2 457.579 1.897 20 0 JDADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001494187722 1070457286 /nfs/dbraw/zinc/45/72/86/1070457286.db2.gz BPZWXVZPNFVRHP-WSTZPKSXSA-N 1 2 494.687 1.904 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502456639 1070465687 /nfs/dbraw/zinc/46/56/87/1070465687.db2.gz HYDWAQMPYAFMIW-HXUWFJFHSA-N 1 2 455.607 1.750 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502456639 1070465717 /nfs/dbraw/zinc/46/57/17/1070465717.db2.gz HYDWAQMPYAFMIW-HXUWFJFHSA-N 1 2 455.607 1.750 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502459089 1070473641 /nfs/dbraw/zinc/47/36/41/1070473641.db2.gz NGIKTWIUTRKFOM-HXUWFJFHSA-N 1 2 471.606 1.472 20 0 JDADLO CCNC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502459089 1070473664 /nfs/dbraw/zinc/47/36/64/1070473664.db2.gz NGIKTWIUTRKFOM-HXUWFJFHSA-N 1 2 471.606 1.472 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001502466176 1070509393 /nfs/dbraw/zinc/50/93/93/1070509393.db2.gz MRRJJFLIPFMIIS-IEBWSBKVSA-N 1 2 477.635 1.590 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001502468554 1070515924 /nfs/dbraw/zinc/51/59/24/1070515924.db2.gz BEXSIDPPVFUCGG-IBGZPJMESA-N 1 2 472.571 1.924 20 0 JDADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c[nH+]ccc2OC)C1 ZINC001502475080 1070547996 /nfs/dbraw/zinc/54/79/96/1070547996.db2.gz SDEKZTKBARLWGP-FUHWJXTLSA-N 1 2 450.565 1.490 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC001502478577 1070566348 /nfs/dbraw/zinc/56/63/48/1070566348.db2.gz YEGMZSVPQHSKHN-AZUAARDMSA-N 1 2 491.662 1.663 20 0 JDADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)CCCO1 ZINC001494362861 1070568422 /nfs/dbraw/zinc/56/84/22/1070568422.db2.gz INNHSTIXRFOILF-QZTJIDSGSA-N 1 2 479.607 1.123 20 0 JDADLO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC(C)(C)C1 ZINC001494365138 1070573533 /nfs/dbraw/zinc/57/35/33/1070573533.db2.gz QKBSZISTUPRNBB-IEBWSBKVSA-N 1 2 491.662 1.993 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001502480868 1070577475 /nfs/dbraw/zinc/57/74/75/1070577475.db2.gz XTBIZTBHFMPFDP-PZJWPPBQSA-N 1 2 476.647 1.416 20 0 JDADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001502480868 1070577498 /nfs/dbraw/zinc/57/74/98/1070577498.db2.gz XTBIZTBHFMPFDP-PZJWPPBQSA-N 1 2 476.647 1.416 20 0 JDADLO CCOC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001502484636 1070595759 /nfs/dbraw/zinc/59/57/59/1070595759.db2.gz VXFKQORPJUIILB-UHFFFAOYSA-N 1 2 479.626 1.584 20 0 JDADLO CCOC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001502484636 1070595772 /nfs/dbraw/zinc/59/57/72/1070595772.db2.gz VXFKQORPJUIILB-UHFFFAOYSA-N 1 2 479.626 1.584 20 0 JDADLO CCOC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001502491504 1070604062 /nfs/dbraw/zinc/60/40/62/1070604062.db2.gz XBQSAYNEYYBEAE-UHFFFAOYSA-N 1 2 479.545 1.713 20 0 JDADLO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC(=O)N1C ZINC001494491304 1070601190 /nfs/dbraw/zinc/60/11/90/1070601190.db2.gz INYFSWJARNEATM-SFHVURJKSA-N 1 2 473.597 1.689 20 0 JDADLO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC(=O)N1C ZINC001494491304 1070601215 /nfs/dbraw/zinc/60/12/15/1070601215.db2.gz INYFSWJARNEATM-SFHVURJKSA-N 1 2 473.597 1.689 20 0 JDADLO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOCC2)C[C@H](C)O1 ZINC001494516403 1070606942 /nfs/dbraw/zinc/60/69/42/1070606942.db2.gz BGVBFZRTLINKPF-HDICACEKSA-N 1 2 463.604 1.685 20 0 JDADLO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOCC2)C[C@H](C)O1 ZINC001494516403 1070606953 /nfs/dbraw/zinc/60/69/53/1070606953.db2.gz BGVBFZRTLINKPF-HDICACEKSA-N 1 2 463.604 1.685 20 0 JDADLO C[C@H]1C[NH+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOCC2)C[C@H](C)O1 ZINC001494516405 1070608125 /nfs/dbraw/zinc/60/81/25/1070608125.db2.gz BGVBFZRTLINKPF-ROUUACIJSA-N 1 2 463.604 1.685 20 0 JDADLO CCOC(=O)N1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001502507387 1070627789 /nfs/dbraw/zinc/62/77/89/1070627789.db2.gz PGXIDXKRBGABLB-IBGZPJMESA-N 1 2 488.589 1.865 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001494601554 1070649922 /nfs/dbraw/zinc/64/99/22/1070649922.db2.gz HJMOEFBTGNKVSM-TUNNFDKTSA-N 1 2 491.681 1.128 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001494601554 1070649928 /nfs/dbraw/zinc/64/99/28/1070649928.db2.gz HJMOEFBTGNKVSM-TUNNFDKTSA-N 1 2 491.681 1.128 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1C(C)(C)C ZINC001494601519 1070650029 /nfs/dbraw/zinc/65/00/29/1070650029.db2.gz GPJHIXFFKGBCSA-GOSISDBHSA-N 1 2 455.607 1.722 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1C(C)(C)C ZINC001494601519 1070650034 /nfs/dbraw/zinc/65/00/34/1070650034.db2.gz GPJHIXFFKGBCSA-GOSISDBHSA-N 1 2 455.607 1.722 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001494601599 1070650060 /nfs/dbraw/zinc/65/00/60/1070650060.db2.gz IAJZKAJPTAKSTP-OKZBNKHCSA-N 1 2 450.584 1.954 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001494601599 1070650065 /nfs/dbraw/zinc/65/00/65/1070650065.db2.gz IAJZKAJPTAKSTP-OKZBNKHCSA-N 1 2 450.584 1.954 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001494601623 1070650762 /nfs/dbraw/zinc/65/07/62/1070650762.db2.gz IFBSCVAFVDWZNA-KURKYZTESA-N 1 2 479.626 1.771 20 0 JDADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001494601623 1070650765 /nfs/dbraw/zinc/65/07/65/1070650765.db2.gz IFBSCVAFVDWZNA-KURKYZTESA-N 1 2 479.626 1.771 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001494601622 1070651012 /nfs/dbraw/zinc/65/10/12/1070651012.db2.gz IFBSCVAFVDWZNA-KSZLIROESA-N 1 2 479.626 1.771 20 0 JDADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001494601622 1070651016 /nfs/dbraw/zinc/65/10/16/1070651016.db2.gz IFBSCVAFVDWZNA-KSZLIROESA-N 1 2 479.626 1.771 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494603537 1070655800 /nfs/dbraw/zinc/65/58/00/1070655800.db2.gz KJXDZCRKWUNPKZ-HXUWFJFHSA-N 1 2 490.674 1.644 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494603537 1070655819 /nfs/dbraw/zinc/65/58/19/1070655819.db2.gz KJXDZCRKWUNPKZ-HXUWFJFHSA-N 1 2 490.674 1.644 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494601971 1070651677 /nfs/dbraw/zinc/65/16/77/1070651677.db2.gz CNTNHMSTJJVYQX-WBVHZDCISA-N 1 2 474.528 1.398 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494601971 1070651685 /nfs/dbraw/zinc/65/16/85/1070651685.db2.gz CNTNHMSTJJVYQX-WBVHZDCISA-N 1 2 474.528 1.398 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001494602270 1070653314 /nfs/dbraw/zinc/65/33/14/1070653314.db2.gz DRMPQMHBRZMVSH-RBUKOAKNSA-N 1 2 470.684 1.695 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001494602270 1070653318 /nfs/dbraw/zinc/65/33/18/1070653318.db2.gz DRMPQMHBRZMVSH-RBUKOAKNSA-N 1 2 470.684 1.695 20 0 JDADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC[C@H]1C ZINC001494602889 1070654453 /nfs/dbraw/zinc/65/44/53/1070654453.db2.gz PONMLULEKCFBLM-RTWAWAEBSA-N 1 2 497.644 1.777 20 0 JDADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC[C@H]1C ZINC001494602889 1070654467 /nfs/dbraw/zinc/65/44/67/1070654467.db2.gz PONMLULEKCFBLM-RTWAWAEBSA-N 1 2 497.644 1.777 20 0 JDADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001494602884 1070654491 /nfs/dbraw/zinc/65/44/91/1070654491.db2.gz PONMLULEKCFBLM-LEWJYISDSA-N 1 2 497.644 1.777 20 0 JDADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC[C@@H]1C ZINC001494602884 1070654503 /nfs/dbraw/zinc/65/45/03/1070654503.db2.gz PONMLULEKCFBLM-LEWJYISDSA-N 1 2 497.644 1.777 20 0 JDADLO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001494603394 1070655532 /nfs/dbraw/zinc/65/55/32/1070655532.db2.gz JHQBUQUZIBQFAU-KURKYZTESA-N 1 2 477.610 1.396 20 0 JDADLO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001494603394 1070655542 /nfs/dbraw/zinc/65/55/42/1070655542.db2.gz JHQBUQUZIBQFAU-KURKYZTESA-N 1 2 477.610 1.396 20 0 JDADLO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001502533680 1070656695 /nfs/dbraw/zinc/65/66/95/1070656695.db2.gz QPPKUPFPRDVKQD-QUCCMNQESA-N 1 2 457.579 1.700 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001502536202 1070663094 /nfs/dbraw/zinc/66/30/94/1070663094.db2.gz UCBGWIRDCXHDOT-QZTJIDSGSA-N 1 2 450.584 1.955 20 0 JDADLO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001502536202 1070663101 /nfs/dbraw/zinc/66/31/01/1070663101.db2.gz UCBGWIRDCXHDOT-QZTJIDSGSA-N 1 2 450.584 1.955 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494604088 1070657540 /nfs/dbraw/zinc/65/75/40/1070657540.db2.gz WSRDRTMHZLCMRZ-HXUWFJFHSA-N 1 2 492.646 1.092 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494604088 1070657550 /nfs/dbraw/zinc/65/75/50/1070657550.db2.gz WSRDRTMHZLCMRZ-HXUWFJFHSA-N 1 2 492.646 1.092 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604244 1070657655 /nfs/dbraw/zinc/65/76/55/1070657655.db2.gz MLOHGNURRMEJAD-HZPDHXFCSA-N 1 2 464.508 1.525 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494604244 1070657661 /nfs/dbraw/zinc/65/76/61/1070657661.db2.gz MLOHGNURRMEJAD-HZPDHXFCSA-N 1 2 464.508 1.525 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001494605231 1070658820 /nfs/dbraw/zinc/65/88/20/1070658820.db2.gz UEGNZHNWOBGBCZ-IBGZPJMESA-N 1 2 455.607 1.679 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001494605231 1070658831 /nfs/dbraw/zinc/65/88/31/1070658831.db2.gz UEGNZHNWOBGBCZ-IBGZPJMESA-N 1 2 455.607 1.679 20 0 JDADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001494605375 1070659538 /nfs/dbraw/zinc/65/95/38/1070659538.db2.gz WQCYNRIRLOYIPL-IBGZPJMESA-N 1 2 455.607 1.679 20 0 JDADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001494605375 1070659552 /nfs/dbraw/zinc/65/95/52/1070659552.db2.gz WQCYNRIRLOYIPL-IBGZPJMESA-N 1 2 455.607 1.679 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001494605276 1070659790 /nfs/dbraw/zinc/65/97/90/1070659790.db2.gz UWIQJYDTDOQOSR-IKGGRYGDSA-N 1 2 474.528 1.745 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001494605276 1070659809 /nfs/dbraw/zinc/65/98/09/1070659809.db2.gz UWIQJYDTDOQOSR-IKGGRYGDSA-N 1 2 474.528 1.745 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001494605336 1070660081 /nfs/dbraw/zinc/66/00/81/1070660081.db2.gz VTJYMCAZTXNJBT-RTBURBONSA-N 1 2 463.627 1.523 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001494605336 1070660090 /nfs/dbraw/zinc/66/00/90/1070660090.db2.gz VTJYMCAZTXNJBT-RTBURBONSA-N 1 2 463.627 1.523 20 0 JDADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494605258 1070660106 /nfs/dbraw/zinc/66/01/06/1070660106.db2.gz UOCLRDXLRAQDCE-QGZVFWFLSA-N 1 2 478.544 1.163 20 0 JDADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494605258 1070660111 /nfs/dbraw/zinc/66/01/11/1070660111.db2.gz UOCLRDXLRAQDCE-QGZVFWFLSA-N 1 2 478.544 1.163 20 0 JDADLO C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001494642791 1070669893 /nfs/dbraw/zinc/66/98/93/1070669893.db2.gz IHXGWSWRKQKPEA-MGPUTAFESA-N 1 2 483.411 1.354 20 0 JDADLO C[C@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001494642789 1070670267 /nfs/dbraw/zinc/67/02/67/1070670267.db2.gz IHXGWSWRKQKPEA-FOIQADDNSA-N 1 2 483.411 1.354 20 0 JDADLO C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001494646817 1070673258 /nfs/dbraw/zinc/67/32/58/1070673258.db2.gz WTMSWDRMWXHJRI-IFXJQAMLSA-N 1 2 469.384 1.344 20 0 JDADLO CCO[C@]1(c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCOC1 ZINC001502617965 1070692661 /nfs/dbraw/zinc/69/26/61/1070692661.db2.gz DCFRZRWBZSEZHF-HOOSLVGPSA-N 1 2 487.605 1.299 20 0 JDADLO CCO[C@]1(c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502620993 1070697178 /nfs/dbraw/zinc/69/71/78/1070697178.db2.gz FHMHXMNQRAOKKA-DYESRHJHSA-N 1 2 464.592 1.063 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502620996 1070698846 /nfs/dbraw/zinc/69/88/46/1070698846.db2.gz FHMHXMNQRAOKKA-UWJYYQICSA-N 1 2 464.592 1.063 20 0 JDADLO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001494691806 1070702469 /nfs/dbraw/zinc/70/24/69/1070702469.db2.gz REBHKEKVJFMBGB-IBGZPJMESA-N 1 2 484.605 1.191 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001502625304 1070709322 /nfs/dbraw/zinc/70/93/22/1070709322.db2.gz QZNLSJSJOLDEAD-QHCPKHFHSA-N 1 2 459.595 1.790 20 0 JDADLO CCO[C@]1(c2nnc(N(C)[C@H]3CCSC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502625619 1070710828 /nfs/dbraw/zinc/71/08/28/1070710828.db2.gz YBUCJHODXUNVIS-GHTZIAJQSA-N 1 2 452.625 1.036 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@](C)(O)c2cc(C)oc2C)CCOC1 ZINC001502655171 1070728198 /nfs/dbraw/zinc/72/81/98/1070728198.db2.gz OFHBHIVTSSYSBR-RPWUZVMVSA-N 1 2 477.606 1.816 20 0 JDADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCOC1 ZINC001502655421 1070729343 /nfs/dbraw/zinc/72/93/43/1070729343.db2.gz UPGSODNOCBROAS-RXVVDRJESA-N 1 2 490.571 1.583 20 0 JDADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001494731301 1070729994 /nfs/dbraw/zinc/72/99/94/1070729994.db2.gz CQBDVLNLHOEYTD-HDAAZOAOSA-N 1 2 464.611 1.218 20 0 JDADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001494731301 1070730006 /nfs/dbraw/zinc/73/00/06/1070730006.db2.gz CQBDVLNLHOEYTD-HDAAZOAOSA-N 1 2 464.611 1.218 20 0 JDADLO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001494756584 1070733238 /nfs/dbraw/zinc/73/32/38/1070733238.db2.gz GIXSSIOJAPNXIE-HMXCVIKNSA-N 1 2 494.706 1.995 20 0 JDADLO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001494756584 1070733255 /nfs/dbraw/zinc/73/32/55/1070733255.db2.gz GIXSSIOJAPNXIE-HMXCVIKNSA-N 1 2 494.706 1.995 20 0 JDADLO CC[C@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001494787310 1070745188 /nfs/dbraw/zinc/74/51/88/1070745188.db2.gz ULCDCXWACNCYSF-DEOSSOPVSA-N 1 2 456.591 1.859 20 0 JDADLO CC[C@@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001494787311 1070745412 /nfs/dbraw/zinc/74/54/12/1070745412.db2.gz ULCDCXWACNCYSF-XMMPIXPASA-N 1 2 456.591 1.859 20 0 JDADLO CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001494831144 1070756318 /nfs/dbraw/zinc/75/63/18/1070756318.db2.gz UPEYQNKBASYYAM-YKSBVNFPSA-N 1 2 472.638 1.434 20 0 JDADLO CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001494831142 1070756564 /nfs/dbraw/zinc/75/65/64/1070756564.db2.gz UPEYQNKBASYYAM-RDPSFJRHSA-N 1 2 472.638 1.434 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001494895310 1070767418 /nfs/dbraw/zinc/76/74/18/1070767418.db2.gz CNEYFTIXVCMIAO-HKARXFIJSA-N 1 2 456.595 1.321 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001494915467 1070772790 /nfs/dbraw/zinc/77/27/90/1070772790.db2.gz FTIKBTVHJARXEA-SVMVAKDDSA-N 1 2 462.620 1.699 20 0 JDADLO CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001494916202 1070773372 /nfs/dbraw/zinc/77/33/72/1070773372.db2.gz JKTKUSPQRXXMHJ-SVMVAKDDSA-N 1 2 469.652 1.278 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001494916200 1070773406 /nfs/dbraw/zinc/77/34/06/1070773406.db2.gz JKTKUSPQRXXMHJ-NPPFBWRTSA-N 1 2 469.652 1.278 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502682891 1070778198 /nfs/dbraw/zinc/77/81/98/1070778198.db2.gz HKAKLWXYLQDCBU-RUZDIDTESA-N 1 2 492.665 1.782 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502682891 1070778215 /nfs/dbraw/zinc/77/82/15/1070778215.db2.gz HKAKLWXYLQDCBU-RUZDIDTESA-N 1 2 492.665 1.782 20 0 JDADLO CC[C@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001494936154 1070779360 /nfs/dbraw/zinc/77/93/60/1070779360.db2.gz VQDMFHIGFKNRGS-ZYLNGJIFSA-N 1 2 489.665 1.331 20 0 JDADLO CC[C@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001494997499 1070787350 /nfs/dbraw/zinc/78/73/50/1070787350.db2.gz VHJYUOWEOBVCIW-IRFCIJBXSA-N 1 2 472.638 1.873 20 0 JDADLO CO[C@]1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC[NH+]2CCOCC2)CCOC1 ZINC001504042893 1070801591 /nfs/dbraw/zinc/80/15/91/1070801591.db2.gz RHRQNXWWJJTQSW-DEOSSOPVSA-N 1 2 472.590 1.721 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502694237 1070807483 /nfs/dbraw/zinc/80/74/83/1070807483.db2.gz YVLUXKCNMOJJGA-WZOHSFFVSA-N 1 2 492.665 1.782 20 0 JDADLO CCO[C@]1(c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502694237 1070807484 /nfs/dbraw/zinc/80/74/84/1070807484.db2.gz YVLUXKCNMOJJGA-WZOHSFFVSA-N 1 2 492.665 1.782 20 0 JDADLO CCO[C@]1(c2nnc(N3CCCC[C@H](COC)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502702260 1070810834 /nfs/dbraw/zinc/81/08/34/1070810834.db2.gz VNAYOGIQCHVXIZ-XUZZJYLKSA-N 1 2 478.638 1.347 20 0 JDADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCNC(=O)c1ccco1 ZINC001495717611 1070817630 /nfs/dbraw/zinc/81/76/30/1070817630.db2.gz KGEVMBWOHFYWAM-RBUKOAKNSA-N 1 2 471.606 1.948 20 0 JDADLO CC[C@H](C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1CCCC(=O)N(C)C ZINC001495722806 1070817827 /nfs/dbraw/zinc/81/78/27/1070817827.db2.gz JPKAMEGKTYTEPD-INIZCTEOSA-N 1 2 454.583 1.663 20 0 JDADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cnn(CCOC)c1 ZINC001495711734 1070817141 /nfs/dbraw/zinc/81/71/41/1070817141.db2.gz VDRAINBUSMEPQW-VQTJNVASSA-N 1 2 472.638 1.816 20 0 JDADLO CCO[C@]1(c2nnc(N3CCN(CC(F)F)CC3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001502720786 1070828515 /nfs/dbraw/zinc/82/85/15/1070828515.db2.gz AZJGWENWJIMZNI-JOCHJYFZSA-N 1 2 472.581 1.428 20 0 JDADLO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495766169 1070819167 /nfs/dbraw/zinc/81/91/67/1070819167.db2.gz QJZRSDAJSNFWHR-GOSISDBHSA-N 1 2 469.638 1.689 20 0 JDADLO CCO[C@@]1(c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001502719300 1070827543 /nfs/dbraw/zinc/82/75/43/1070827543.db2.gz XMUUTQYDKYHBMF-QHCPKHFHSA-N 1 2 457.579 1.498 20 0 JDADLO CCO[C@]1(c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@H](C)OC)CCOC1 ZINC001502714977 1070823458 /nfs/dbraw/zinc/82/34/58/1070823458.db2.gz SMUAZMNAAJSIMW-SFYKDHMMSA-N 1 2 464.611 1.098 20 0 JDADLO COc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)cc(OC)c1 ZINC001504091191 1070828017 /nfs/dbraw/zinc/82/80/17/1070828017.db2.gz MHAMQGYBKNYRQB-OXQOHEQNSA-N 1 2 458.563 1.604 20 0 JDADLO COc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)cc(OC)c1 ZINC001504091191 1070828020 /nfs/dbraw/zinc/82/80/20/1070828020.db2.gz MHAMQGYBKNYRQB-OXQOHEQNSA-N 1 2 458.563 1.604 20 0 JDADLO COc1cc(Cn2c(C(=O)NC(C)C)nnc2N(C)CC[NH+]2CCOCC2)c2ccccc2n1 ZINC001504087937 1070826751 /nfs/dbraw/zinc/82/67/51/1070826751.db2.gz ZTJDMFKBIAGHPB-UHFFFAOYSA-N 1 2 467.574 1.790 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 ZINC001502722650 1070830912 /nfs/dbraw/zinc/83/09/12/1070830912.db2.gz NKCJYFINLLIDFT-KNQAVFIVSA-N 1 2 469.652 1.676 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CCS(C)(=O)=O)CCOC1 ZINC001502726300 1070836735 /nfs/dbraw/zinc/83/67/35/1070836735.db2.gz SKENBQQHDKYXJL-XXBNENTESA-N 1 2 477.631 1.686 20 0 JDADLO CCO[C@@]1(c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCS(C)(=O)=O)CCOC1 ZINC001502726300 1070836736 /nfs/dbraw/zinc/83/67/36/1070836736.db2.gz SKENBQQHDKYXJL-XXBNENTESA-N 1 2 477.631 1.686 20 0 JDADLO CCO[C@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCOC1 ZINC001502729083 1070839421 /nfs/dbraw/zinc/83/94/21/1070839421.db2.gz KZSTYPVIZNBBPK-WZONZLPQSA-N 1 2 478.544 1.838 20 0 JDADLO CC[C@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001496249284 1070840251 /nfs/dbraw/zinc/84/02/51/1070840251.db2.gz KHHGDWIJWQTAQH-RBUKOAKNSA-N 1 2 485.637 1.116 20 0 JDADLO CC[C@@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001496249279 1070840274 /nfs/dbraw/zinc/84/02/74/1070840274.db2.gz KHHGDWIJWQTAQH-MOPGFXCFSA-N 1 2 485.637 1.116 20 0 JDADLO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001496658338 1070856128 /nfs/dbraw/zinc/85/61/28/1070856128.db2.gz BYWYAPKNYIBJQQ-YDHSSHFGSA-N 1 2 496.678 1.019 20 0 JDADLO COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC2([NH+]3CCOCC3)CC2)cc1OC ZINC001504154911 1070858150 /nfs/dbraw/zinc/85/81/50/1070858150.db2.gz FMDOCRIDIGLFPK-MRXNPFEDSA-N 1 2 458.563 1.527 20 0 JDADLO COc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2cc(C)nn2C)c(OC)c1 ZINC001504167806 1070862245 /nfs/dbraw/zinc/86/22/45/1070862245.db2.gz FQDQLNXIXUMRAK-UHFFFAOYSA-N 1 2 455.563 1.821 20 0 JDADLO CCOc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC001502833736 1070865385 /nfs/dbraw/zinc/86/53/85/1070865385.db2.gz PEMBIIBICJETRM-IEBWSBKVSA-N 1 2 472.590 1.994 20 0 JDADLO CCOc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001502833548 1070865404 /nfs/dbraw/zinc/86/54/04/1070865404.db2.gz MMWLKSLSLVMRTH-FQEVSTJZSA-N 1 2 499.616 1.437 20 0 JDADLO CCOc1ccc2c(c1)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)[NH+]1CCOCC1)CC2 ZINC001502872615 1070871723 /nfs/dbraw/zinc/87/17/23/1070871723.db2.gz MBWREGPSYKQUQG-QZTJIDSGSA-N 1 2 492.646 1.570 20 0 JDADLO COc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CCC(C)(C)O)c(OC)c1 ZINC001504198699 1070876463 /nfs/dbraw/zinc/87/64/63/1070876463.db2.gz BYZMLIBTAKZVKF-QGZVFWFLSA-N 1 2 486.617 1.912 20 0 JDADLO COc1ccc([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H](C)[NH+]3CCOCC3)C2)cc1 ZINC001504215810 1070889061 /nfs/dbraw/zinc/88/90/61/1070889061.db2.gz RXHJQQOGTNLQHQ-CMKODMSKSA-N 1 2 492.646 1.612 20 0 JDADLO CCOC1CC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCCCCC2)([NH+]2CCOCC2)C1 ZINC001502939592 1070895393 /nfs/dbraw/zinc/89/53/93/1070895393.db2.gz YCZCPPAMADHTNB-UDTLNKQYSA-N 1 2 498.694 1.929 20 0 JDADLO CCOC1CC(Cn2c(N3CCC(NS(C)(=O)=O)CC3)nnc2C(C)(C)C)([NH+]2CCOCC2)C1 ZINC001502940016 1070895837 /nfs/dbraw/zinc/89/58/37/1070895837.db2.gz QYEDKSPRPRJGRK-UHFFFAOYSA-N 1 2 498.694 1.364 20 0 JDADLO COc1ccc(CCc2nnc(N3CCN(C(C)=O)CC3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001504232342 1070898331 /nfs/dbraw/zinc/89/83/31/1070898331.db2.gz WJCQBSCWLILABN-IBGZPJMESA-N 1 2 456.591 1.461 20 0 JDADLO CCO[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502974717 1070926841 /nfs/dbraw/zinc/92/68/41/1070926841.db2.gz ATOXTBJQBMZSCU-RDJZCZTQSA-N 1 2 451.597 1.403 20 0 JDADLO CCOCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001502989128 1070941658 /nfs/dbraw/zinc/94/16/58/1070941658.db2.gz MSNYCECELIAAIE-NHCUHLMSSA-N 1 2 491.681 1.523 20 0 JDADLO CCOCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001502992608 1070948198 /nfs/dbraw/zinc/94/81/98/1070948198.db2.gz STQLMCGNRIONBL-VQTJNVASSA-N 1 2 462.639 1.978 20 0 JDADLO CCOCc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001503010141 1070965802 /nfs/dbraw/zinc/96/58/02/1070965802.db2.gz VXEUIACESITUOC-JOCHJYFZSA-N 1 2 486.617 1.492 20 0 JDADLO CCOCc1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001503010214 1070966968 /nfs/dbraw/zinc/96/69/68/1070966968.db2.gz WOZSGOBTRIJAPC-UHFFFAOYSA-N 1 2 457.510 1.483 20 0 JDADLO CCOCc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001503020013 1070971288 /nfs/dbraw/zinc/97/12/88/1070971288.db2.gz KJUCKOLOGDIPIP-GOSISDBHSA-N 1 2 452.600 1.983 20 0 JDADLO CCOCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503038147 1071001204 /nfs/dbraw/zinc/00/12/04/1071001204.db2.gz ILURMLCGLFPAOQ-VLVHOKLOSA-N 1 2 450.628 1.613 20 0 JDADLO CCOCc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503041787 1071004350 /nfs/dbraw/zinc/00/43/50/1071004350.db2.gz LUKWCICPVNYVRO-UHFFFAOYSA-N 1 2 498.632 1.264 20 0 JDADLO CCOCc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1Cc1c[nH+]ccc1OC ZINC001503041789 1071004395 /nfs/dbraw/zinc/00/43/95/1071004395.db2.gz LYHDFGUNHCQCGR-UHFFFAOYSA-N 1 2 485.589 1.207 20 0 JDADLO CCOCc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503044277 1071005921 /nfs/dbraw/zinc/00/59/21/1071005921.db2.gz PZVJCPJKGOCGDF-OAHLLOKOSA-N 1 2 462.517 1.430 20 0 JDADLO COc1ccc(Cn2c(N(C)CC[NH+]3CCOCC3)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001504282418 1071008917 /nfs/dbraw/zinc/00/89/17/1071008917.db2.gz DTZAATIHCBBAIR-QHCPKHFHSA-N 1 2 460.579 1.539 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCC(=O)N(C)C)CC2)cc1F ZINC001504285126 1071011053 /nfs/dbraw/zinc/01/10/53/1071011053.db2.gz AUDNUMKRHDHHKN-IBGZPJMESA-N 1 2 487.580 1.568 20 0 JDADLO CCOCc1nnc(N2CCC(CNC(C)=O)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503057216 1071012624 /nfs/dbraw/zinc/01/26/24/1071012624.db2.gz JAGBJVURUHQFLL-UHFFFAOYSA-N 1 2 457.579 1.447 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3ccco3)CC2)cc1F ZINC001504285655 1071012526 /nfs/dbraw/zinc/01/25/26/1071012526.db2.gz IUPHMAMGRGYCES-MRXNPFEDSA-N 1 2 492.577 2.000 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(C4CCCC4)n3CCNS(C)(=O)=O)CC2)cc1F ZINC001504286227 1071013065 /nfs/dbraw/zinc/01/30/65/1071013065.db2.gz OVGDMYKFEWWZPL-UHFFFAOYSA-N 1 2 480.610 1.955 20 0 JDADLO COc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CCCc3cnn(C)n3)CC2)cc1F ZINC001504286860 1071013515 /nfs/dbraw/zinc/01/35/15/1071013515.db2.gz UKZDGNIRVKHRCQ-UHFFFAOYSA-N 1 2 499.595 1.648 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503063320 1071020036 /nfs/dbraw/zinc/02/00/36/1071020036.db2.gz JGXFUBYOCYWTQN-UHFFFAOYSA-N 1 2 483.617 1.378 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001503060359 1071016137 /nfs/dbraw/zinc/01/61/37/1071016137.db2.gz GGRBPNLKRFGBEO-QHCPKHFHSA-N 1 2 480.679 1.764 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001504292185 1071018821 /nfs/dbraw/zinc/01/88/21/1071018821.db2.gz GADQYVYBOCXIMP-UHFFFAOYSA-N 1 2 498.650 1.435 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCSC2)CC1 ZINC001504292015 1071018893 /nfs/dbraw/zinc/01/88/93/1071018893.db2.gz BXUHJTKCHWUUCK-QHCPKHFHSA-N 1 2 492.621 1.754 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)CC1 ZINC001504292049 1071019090 /nfs/dbraw/zinc/01/90/90/1071019090.db2.gz CHPVGUVMPGYCGY-UHFFFAOYSA-N 1 2 474.581 1.904 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503063115 1071019373 /nfs/dbraw/zinc/01/93/73/1071019373.db2.gz DGSKEWGETMMSNK-MRXNPFEDSA-N 1 2 461.567 1.231 20 0 JDADLO CCOCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503063115 1071019396 /nfs/dbraw/zinc/01/93/96/1071019396.db2.gz DGSKEWGETMMSNK-MRXNPFEDSA-N 1 2 461.567 1.231 20 0 JDADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C)n2CCN2CCCS2(=O)=O)CC1 ZINC001504293152 1071020937 /nfs/dbraw/zinc/02/09/37/1071020937.db2.gz SGBYAIIZEAHFON-UHFFFAOYSA-N 1 2 452.556 1.092 20 0 JDADLO CCOCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001503066217 1071021518 /nfs/dbraw/zinc/02/15/18/1071021518.db2.gz LTCCPIUQVASXRE-QGZVFWFLSA-N 1 2 491.543 1.916 20 0 JDADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001503069803 1071025716 /nfs/dbraw/zinc/02/57/16/1071025716.db2.gz ZHRGXJTZRTVCSL-UHFFFAOYSA-N 1 2 485.614 1.728 20 0 JDADLO CCOCc1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001503080540 1071029824 /nfs/dbraw/zinc/02/98/24/1071029824.db2.gz ZWKKLJDKGWNQIK-ICSRJNTNSA-N 1 2 471.606 1.836 20 0 JDADLO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001504305628 1071033790 /nfs/dbraw/zinc/03/37/90/1071033790.db2.gz JCPQOKKBZMKSHT-MSOLQXFVSA-N 1 2 458.563 1.253 20 0 JDADLO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001504305628 1071033797 /nfs/dbraw/zinc/03/37/97/1071033797.db2.gz JCPQOKKBZMKSHT-MSOLQXFVSA-N 1 2 458.563 1.253 20 0 JDADLO COc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001504305993 1071033988 /nfs/dbraw/zinc/03/39/88/1071033988.db2.gz HSGZQODGUWWNCB-GAJHUEQPSA-N 1 2 458.563 1.288 20 0 JDADLO CCOCc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503086573 1071034210 /nfs/dbraw/zinc/03/42/10/1071034210.db2.gz PTTGNDUAPGTYSQ-KRWDZBQOSA-N 1 2 462.517 1.526 20 0 JDADLO COc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001504312140 1071042903 /nfs/dbraw/zinc/04/29/03/1071042903.db2.gz AVHKFVCZYCYVRM-UHFFFAOYSA-N 1 2 471.606 1.218 20 0 JDADLO COc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001504312140 1071042915 /nfs/dbraw/zinc/04/29/15/1071042915.db2.gz AVHKFVCZYCYVRM-UHFFFAOYSA-N 1 2 471.606 1.218 20 0 JDADLO COc1ccc(OCc2nnc(N3CCOC(C)(C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504312134 1071043010 /nfs/dbraw/zinc/04/30/10/1071043010.db2.gz ATWXYVHCVJVONU-UHFFFAOYSA-N 1 2 472.590 1.645 20 0 JDADLO CCOCc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503098663 1071043692 /nfs/dbraw/zinc/04/36/92/1071043692.db2.gz OFMDQQLETOIRKV-HXUWFJFHSA-N 1 2 485.633 1.509 20 0 JDADLO COc1ccc(OCc2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2Cc2c[nH+]ccc2OC)cc1 ZINC001504314779 1071045566 /nfs/dbraw/zinc/04/55/66/1071045566.db2.gz TXGGGHYRBCGUMY-NRFANRHFSA-N 1 2 482.541 1.659 20 0 JDADLO COc1cccc([C@H](Cn2c([C@H]3CCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)[NH+](C)C)c1 ZINC001504324128 1071058341 /nfs/dbraw/zinc/05/83/41/1071058341.db2.gz BFXDJOYHZSGKEW-BJLQDIEVSA-N 1 2 463.604 1.717 20 0 JDADLO CCOCc1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503106783 1071058358 /nfs/dbraw/zinc/05/83/58/1071058358.db2.gz GVPIKGNCTYINBR-QRGRWYIGSA-N 1 2 464.611 1.142 20 0 JDADLO COc1cccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)[NH+](C)C)c1 ZINC001504324129 1071058514 /nfs/dbraw/zinc/05/85/14/1071058514.db2.gz BFXDJOYHZSGKEW-GGPKGHCWSA-N 1 2 463.604 1.717 20 0 JDADLO COc1cccc(C(=O)NCCn2c(-c3cccc(C)n3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001504321345 1071055369 /nfs/dbraw/zinc/05/53/69/1071055369.db2.gz FYNIZJDRDKPIND-UHFFFAOYSA-N 1 2 479.585 1.856 20 0 JDADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001503109241 1071062777 /nfs/dbraw/zinc/06/27/77/1071062777.db2.gz ZCHZLDWHZYKFJQ-LJQANCHMSA-N 1 2 471.606 1.003 20 0 JDADLO CCOCc1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503109297 1071062880 /nfs/dbraw/zinc/06/28/80/1071062880.db2.gz KBUUPNPODUOXCI-HXUWFJFHSA-N 1 2 461.655 1.822 20 0 JDADLO COc1cccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)c1 ZINC001504326342 1071060716 /nfs/dbraw/zinc/06/07/16/1071060716.db2.gz WRPVSXQHCFHQEC-HOJAQTOUSA-N 1 2 463.604 1.717 20 0 JDADLO CCOCc1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001503110872 1071066430 /nfs/dbraw/zinc/06/64/30/1071066430.db2.gz AAEJCBHXONFWJW-HXUWFJFHSA-N 1 2 472.638 1.888 20 0 JDADLO CCOCc1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503112170 1071069885 /nfs/dbraw/zinc/06/98/85/1071069885.db2.gz HECGLEDSVBRLRS-IBGZPJMESA-N 1 2 474.654 1.768 20 0 JDADLO COc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001504344799 1071075161 /nfs/dbraw/zinc/07/51/61/1071075161.db2.gz RHJHHUQDJRLDMT-HXUWFJFHSA-N 1 2 463.604 1.545 20 0 JDADLO COc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001504344799 1071075172 /nfs/dbraw/zinc/07/51/72/1071075172.db2.gz RHJHHUQDJRLDMT-HXUWFJFHSA-N 1 2 463.604 1.545 20 0 JDADLO CCOCc1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1Cc1nncn1CC ZINC001503114150 1071075327 /nfs/dbraw/zinc/07/53/27/1071075327.db2.gz RQZMGVNELAHIRL-UHFFFAOYSA-N 1 2 458.542 1.944 20 0 JDADLO CCOCc1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001503114969 1071075418 /nfs/dbraw/zinc/07/54/18/1071075418.db2.gz COTAJEHMKWXYRG-UHFFFAOYSA-N 1 2 457.579 1.543 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](C(C)C)C2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001503116480 1071079965 /nfs/dbraw/zinc/07/99/65/1071079965.db2.gz DPXGNTCPECEKLT-KQVJYAISSA-N 1 2 451.612 1.946 20 0 JDADLO COc1cccc(-c2nnc(N3CC[NH+](Cc4cc(C)no4)CC3)n2CCS(=O)(=O)N(C)C)c1 ZINC001504345999 1071076325 /nfs/dbraw/zinc/07/63/25/1071076325.db2.gz AYHFZTBHCZMPAO-UHFFFAOYSA-N 1 2 489.602 1.464 20 0 JDADLO COc1cccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001504348470 1071079005 /nfs/dbraw/zinc/07/90/05/1071079005.db2.gz GPMZPUHOGYAHHJ-WFXMLNOXSA-N 1 2 492.646 1.959 20 0 JDADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001503118913 1071085571 /nfs/dbraw/zinc/08/55/71/1071085571.db2.gz XOWNRPWFDQZCGY-SFHVURJKSA-N 1 2 473.603 1.578 20 0 JDADLO CCOCc1nnc(N2CCO[C@H](Cn3cc(C)cn3)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503121754 1071088253 /nfs/dbraw/zinc/08/82/53/1071088253.db2.gz AMVJGXMZVQCWLR-RTWAWAEBSA-N 1 2 460.627 1.251 20 0 JDADLO COc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOCC2)c1OC ZINC001504356342 1071088258 /nfs/dbraw/zinc/08/82/58/1071088258.db2.gz MMVDFWPFJMWGNR-UHFFFAOYSA-N 1 2 458.563 1.348 20 0 JDADLO CCOCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503124115 1071089980 /nfs/dbraw/zinc/08/99/80/1071089980.db2.gz LDVDEWZMLZDLJQ-MSOLQXFVSA-N 1 2 468.599 1.265 20 0 JDADLO COc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)n1CCNC(=O)C(C)C ZINC001504384818 1071117563 /nfs/dbraw/zinc/11/75/63/1071117563.db2.gz DLOICHPCVIVZCK-GOSISDBHSA-N 1 2 483.617 1.515 20 0 JDADLO CCOCCCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503172862 1071119697 /nfs/dbraw/zinc/11/96/97/1071119697.db2.gz DALGTCZVPKSQML-LJQANCHMSA-N 1 2 456.595 1.685 20 0 JDADLO COc1ccccc1Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504409984 1071153877 /nfs/dbraw/zinc/15/38/77/1071153877.db2.gz DOJWQELLLJICSR-NQIIRXRSSA-N 1 2 456.591 1.249 20 0 JDADLO CCOCCn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001503210943 1071155111 /nfs/dbraw/zinc/15/51/11/1071155111.db2.gz XLWLIVBIHZHUTL-QFIPXVFZSA-N 1 2 457.623 1.532 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504409487 1071152711 /nfs/dbraw/zinc/15/27/11/1071152711.db2.gz MXRITRLTKVEZEO-WIYYLYMNSA-N 1 2 456.591 1.703 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504409487 1071152728 /nfs/dbraw/zinc/15/27/28/1071152728.db2.gz MXRITRLTKVEZEO-WIYYLYMNSA-N 1 2 456.591 1.703 20 0 JDADLO COc1ccccc1CN(C)c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504416280 1071168742 /nfs/dbraw/zinc/16/87/42/1071168742.db2.gz GHWMYDJTKBRZHQ-OAQYLSRUSA-N 1 2 456.591 1.981 20 0 JDADLO COc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001504418409 1071171684 /nfs/dbraw/zinc/17/16/84/1071171684.db2.gz XOQHFPFSWAOHIW-OALUTQOASA-N 1 2 477.631 1.612 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503219600 1071173550 /nfs/dbraw/zinc/17/35/50/1071173550.db2.gz FEMSNLZBPVWSSM-MSOLQXFVSA-N 1 2 463.608 1.107 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503219600 1071173559 /nfs/dbraw/zinc/17/35/59/1071173559.db2.gz FEMSNLZBPVWSSM-MSOLQXFVSA-N 1 2 463.608 1.107 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C[C@H]1CC ZINC001503221605 1071178014 /nfs/dbraw/zinc/17/80/14/1071178014.db2.gz CITNOZZTNCFRDT-RTBURBONSA-N 1 2 496.678 1.163 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C[C@H]1CC ZINC001503221605 1071178023 /nfs/dbraw/zinc/17/80/23/1071178023.db2.gz CITNOZZTNCFRDT-RTBURBONSA-N 1 2 496.678 1.163 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C[C@@H]1CC ZINC001503221596 1071178208 /nfs/dbraw/zinc/17/82/08/1071178208.db2.gz CITNOZZTNCFRDT-MOPGFXCFSA-N 1 2 496.678 1.163 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C[C@@H]1CC ZINC001503221596 1071178209 /nfs/dbraw/zinc/17/82/09/1071178209.db2.gz CITNOZZTNCFRDT-MOPGFXCFSA-N 1 2 496.678 1.163 20 0 JDADLO CCOCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nc(C)n[nH]2)CC1 ZINC001503221715 1071178265 /nfs/dbraw/zinc/17/82/65/1071178265.db2.gz BKOIHOOXMMHRQU-UHFFFAOYSA-N 1 2 460.533 1.975 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CC ZINC001503220997 1071175692 /nfs/dbraw/zinc/17/56/92/1071175692.db2.gz OIXTZYSFFZPOTG-AZUAARDMSA-N 1 2 479.651 1.441 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CC ZINC001503220997 1071175699 /nfs/dbraw/zinc/17/56/99/1071175699.db2.gz OIXTZYSFFZPOTG-AZUAARDMSA-N 1 2 479.651 1.441 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CC ZINC001503221000 1071175792 /nfs/dbraw/zinc/17/57/92/1071175792.db2.gz OIXTZYSFFZPOTG-UYAOXDASSA-N 1 2 479.651 1.441 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CC ZINC001503221000 1071175806 /nfs/dbraw/zinc/17/58/06/1071175806.db2.gz OIXTZYSFFZPOTG-UYAOXDASSA-N 1 2 479.651 1.441 20 0 JDADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C[C@H]1CC ZINC001503221603 1071177780 /nfs/dbraw/zinc/17/77/80/1071177780.db2.gz CITNOZZTNCFRDT-RBUKOAKNSA-N 1 2 496.678 1.163 20 0 JDADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C[C@H]1CC ZINC001503221603 1071177789 /nfs/dbraw/zinc/17/77/89/1071177789.db2.gz CITNOZZTNCFRDT-RBUKOAKNSA-N 1 2 496.678 1.163 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)Cc2cnn(C)c2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504429988 1071190106 /nfs/dbraw/zinc/19/01/06/1071190106.db2.gz ABDPBGANGGGGOE-GOSISDBHSA-N 1 2 455.563 1.956 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)Cc2cnn(C)c2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504429988 1071190116 /nfs/dbraw/zinc/19/01/16/1071190116.db2.gz ABDPBGANGGGGOE-GOSISDBHSA-N 1 2 455.563 1.956 20 0 JDADLO CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503223968 1071190901 /nfs/dbraw/zinc/19/09/01/1071190901.db2.gz RGWCMVSKCOEFCX-SFTDATJTSA-N 1 2 450.628 1.297 20 0 JDADLO CCOCCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503223967 1071191137 /nfs/dbraw/zinc/19/11/37/1071191137.db2.gz RGWCMVSKCOEFCX-RTWAWAEBSA-N 1 2 450.628 1.297 20 0 JDADLO COc1ccccc1OCc1nnc(N(C)Cc2cnn(C)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001504430585 1071192449 /nfs/dbraw/zinc/19/24/49/1071192449.db2.gz FRDGOMCSTIDEAD-SFHVURJKSA-N 1 2 455.563 1.956 20 0 JDADLO CCOCCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001503228368 1071198590 /nfs/dbraw/zinc/19/85/90/1071198590.db2.gz NKDRXSMGWLJGEW-MOPGFXCFSA-N 1 2 478.619 1.321 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504440681 1071211306 /nfs/dbraw/zinc/21/13/06/1071211306.db2.gz UCOXYPPFTXYMJT-RBUKOAKNSA-N 1 2 472.590 1.678 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504440681 1071211317 /nfs/dbraw/zinc/21/13/17/1071211317.db2.gz UCOXYPPFTXYMJT-RBUKOAKNSA-N 1 2 472.590 1.678 20 0 JDADLO CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001503233911 1071211354 /nfs/dbraw/zinc/21/13/54/1071211354.db2.gz IQSMARQWCWXRCX-GOSISDBHSA-N 1 2 495.671 1.920 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001504441121 1071211899 /nfs/dbraw/zinc/21/18/99/1071211899.db2.gz IVLBPWVUNJYNQP-HXUWFJFHSA-N 1 2 495.584 1.716 20 0 JDADLO COc1ccccc1OCc1nnc(N2CCO[C@@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504443598 1071214897 /nfs/dbraw/zinc/21/48/97/1071214897.db2.gz YIWUDIDJXIAAOB-SFHVURJKSA-N 1 2 458.563 1.255 20 0 JDADLO COc1ccccc1SCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001504447577 1071218406 /nfs/dbraw/zinc/21/84/06/1071218406.db2.gz DUYHLQDMTCPUGN-ROUUACIJSA-N 1 2 474.631 1.967 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 ZINC001504454110 1071225082 /nfs/dbraw/zinc/22/50/82/1071225082.db2.gz SUHCKLHKLCZRIZ-GOSISDBHSA-N 1 2 472.571 1.872 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001504453616 1071224411 /nfs/dbraw/zinc/22/44/11/1071224411.db2.gz JRUGJIBGDAXNLM-UHFFFAOYSA-N 1 2 455.563 1.850 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001504454346 1071225926 /nfs/dbraw/zinc/22/59/26/1071225926.db2.gz QMIWUPVZIMUIOA-UHFFFAOYSA-N 1 2 470.603 1.955 20 0 JDADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001504454593 1071226988 /nfs/dbraw/zinc/22/69/88/1071226988.db2.gz RKVIGKOJHCHLAV-UHFFFAOYSA-N 1 2 464.530 1.682 20 0 JDADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504454584 1071227174 /nfs/dbraw/zinc/22/71/74/1071227174.db2.gz XEYDCSGWKYNQRH-UHFFFAOYSA-N 1 2 498.975 1.619 20 0 JDADLO COc1cc[nH+]cc1Cn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001504455718 1071230490 /nfs/dbraw/zinc/23/04/90/1071230490.db2.gz KAVAIOJXHGDOAV-UHFFFAOYSA-N 1 2 470.599 1.987 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 ZINC001504455104 1071228884 /nfs/dbraw/zinc/22/88/84/1071228884.db2.gz WYGNMPRHTSVCJY-HXOBKFHXSA-N 1 2 486.598 1.747 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001504455252 1071229599 /nfs/dbraw/zinc/22/95/99/1071229599.db2.gz ZFPJPCNJICYHNX-ZDUSSCGKSA-N 1 2 459.532 1.004 20 0 JDADLO COc1cc[nH+]cc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001504456652 1071232092 /nfs/dbraw/zinc/23/20/92/1071232092.db2.gz WHLVHEUYEDZNQF-UHFFFAOYSA-N 1 2 471.562 1.910 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001504457184 1071234049 /nfs/dbraw/zinc/23/40/49/1071234049.db2.gz IRYUXLXOWXUDIX-DZGCQCFKSA-N 1 2 453.469 1.754 20 0 JDADLO COc1cc[nH+]cc1Cn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001504457168 1071234416 /nfs/dbraw/zinc/23/44/16/1071234416.db2.gz ZYDILIGUKVXHMA-UHFFFAOYSA-N 1 2 457.560 1.234 20 0 JDADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001504458680 1071235220 /nfs/dbraw/zinc/23/52/20/1071235220.db2.gz WXRYHWMNHSVXBA-SFHVURJKSA-N 1 2 470.555 1.721 20 0 JDADLO COc1cc[nH+]cc1Cn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C ZINC001504458625 1071235356 /nfs/dbraw/zinc/23/53/56/1071235356.db2.gz VSPSCIQKQSWUOZ-UHFFFAOYSA-N 1 2 488.618 1.580 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001503244133 1071240110 /nfs/dbraw/zinc/24/01/10/1071240110.db2.gz MEOJVRTUZNBLMD-KRWDZBQOSA-N 1 2 463.608 1.468 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001503243070 1071236132 /nfs/dbraw/zinc/23/61/32/1071236132.db2.gz JFXWPAFBBZMRMI-GBESFXJTSA-N 1 2 457.641 1.398 20 0 JDADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503243070 1071236141 /nfs/dbraw/zinc/23/61/41/1071236141.db2.gz JFXWPAFBBZMRMI-GBESFXJTSA-N 1 2 457.641 1.398 20 0 JDADLO COC1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001504464183 1071242561 /nfs/dbraw/zinc/24/25/61/1071242561.db2.gz RHJYJFGWKPCNOW-MWXLCCTBSA-N 1 2 489.665 1.754 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001503245213 1071244703 /nfs/dbraw/zinc/24/47/03/1071244703.db2.gz HFCCJAXZVZACPT-QGZVFWFLSA-N 1 2 495.671 1.704 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001503245213 1071244710 /nfs/dbraw/zinc/24/47/10/1071244710.db2.gz HFCCJAXZVZACPT-QGZVFWFLSA-N 1 2 495.671 1.704 20 0 JDADLO CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001504472333 1071248407 /nfs/dbraw/zinc/24/84/07/1071248407.db2.gz OQAAHYPDEXWPRD-KVSKMBFKSA-N 1 2 477.635 1.727 20 0 JDADLO CO[C@@H]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001504472330 1071248507 /nfs/dbraw/zinc/24/85/07/1071248507.db2.gz OQAAHYPDEXWPRD-HHXXYDBFSA-N 1 2 477.635 1.727 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001503248955 1071258029 /nfs/dbraw/zinc/25/80/29/1071258029.db2.gz FKTQHNLQTHJVLJ-IAGOWNOFSA-N 1 2 453.613 1.049 20 0 JDADLO CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001503250981 1071265244 /nfs/dbraw/zinc/26/52/44/1071265244.db2.gz XMBJRVQWZADEBF-QGZVFWFLSA-N 1 2 461.592 1.144 20 0 JDADLO CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503257660 1071295845 /nfs/dbraw/zinc/29/58/45/1071295845.db2.gz AYZNHSFXWKTJNU-UHFFFAOYSA-N 1 2 490.678 1.807 20 0 JDADLO COc1ncc(/C=C\C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)cn1 ZINC001546289551 1071307504 /nfs/dbraw/zinc/30/75/04/1071307504.db2.gz MOANCJNJFQGJHY-YVMONPNESA-N 1 2 453.543 1.400 20 0 JDADLO CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001503259320 1071305154 /nfs/dbraw/zinc/30/51/54/1071305154.db2.gz NJDBTLMEXFNEMA-GOSISDBHSA-N 1 2 477.635 1.765 20 0 JDADLO CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001503261360 1071312392 /nfs/dbraw/zinc/31/23/92/1071312392.db2.gz VEDAUEATHFUOPE-UHFFFAOYSA-N 1 2 465.595 1.744 20 0 JDADLO CCS(=O)(=O)N(C)CCCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503266789 1071337904 /nfs/dbraw/zinc/33/79/04/1071337904.db2.gz BLKQTMOKSMUZFO-UHFFFAOYSA-N 1 2 484.630 1.657 20 0 JDADLO COCC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001504536781 1071341967 /nfs/dbraw/zinc/34/19/67/1071341967.db2.gz IPXYDHVYJUJVJN-UHFFFAOYSA-N 1 2 499.660 1.487 20 0 JDADLO COCC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001504536781 1071341985 /nfs/dbraw/zinc/34/19/85/1071341985.db2.gz IPXYDHVYJUJVJN-UHFFFAOYSA-N 1 2 499.660 1.487 20 0 JDADLO CCS(=O)(=O)N(C)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001503267595 1071342524 /nfs/dbraw/zinc/34/25/24/1071342524.db2.gz AXBAFIUYRJLSRW-GOSISDBHSA-N 1 2 477.635 1.930 20 0 JDADLO COCC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001504537092 1071343803 /nfs/dbraw/zinc/34/38/03/1071343803.db2.gz OVIPBMJREWTMJW-SFHVURJKSA-N 1 2 493.008 1.526 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001504537739 1071347971 /nfs/dbraw/zinc/34/79/71/1071347971.db2.gz FSYNXGVSBJNTHS-UHFFFAOYSA-N 1 2 492.584 1.993 20 0 JDADLO CCS(=O)(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001503270574 1071358782 /nfs/dbraw/zinc/35/87/82/1071358782.db2.gz QKYGTXJCFSVLOQ-UHFFFAOYSA-N 1 2 491.662 1.764 20 0 JDADLO CCS(=O)(=O)NC1CCN(c2nnc(C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001503271235 1071363195 /nfs/dbraw/zinc/36/31/95/1071363195.db2.gz YVWCMJLFAHRBTJ-QFIPXVFZSA-N 1 2 476.647 1.877 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CCc4nncn4CC3)cc2)CC1 ZINC001546289654 1071371605 /nfs/dbraw/zinc/37/16/05/1071371605.db2.gz PJRFNBDPJSPGHY-OAQYLSRUSA-N 1 2 454.575 1.132 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3CCc4nncn4CC3)cc2)CC1 ZINC001546289653 1071371673 /nfs/dbraw/zinc/37/16/73/1071371673.db2.gz PJRFNBDPJSPGHY-NRFANRHFSA-N 1 2 454.575 1.132 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001504543268 1071370074 /nfs/dbraw/zinc/37/00/74/1071370074.db2.gz BBJIZWJPWCELKS-FQEVSTJZSA-N 1 2 486.617 1.618 20 0 JDADLO COCC(=O)NC1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001504543268 1071370090 /nfs/dbraw/zinc/37/00/90/1071370090.db2.gz BBJIZWJPWCELKS-FQEVSTJZSA-N 1 2 486.617 1.618 20 0 JDADLO COCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001504547131 1071373458 /nfs/dbraw/zinc/37/34/58/1071373458.db2.gz CVLQSQRSGSHVOJ-OAHLLOKOSA-N 1 2 485.680 1.648 20 0 JDADLO COCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504550384 1071375378 /nfs/dbraw/zinc/37/53/78/1071375378.db2.gz DZHQXNKFSKNAEJ-PMACEKPBSA-N 1 2 477.654 1.133 20 0 JDADLO COCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001504552080 1071376561 /nfs/dbraw/zinc/37/65/61/1071376561.db2.gz LKJYESDZTMRBBN-QGZVFWFLSA-N 1 2 463.608 1.278 20 0 JDADLO COCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001504552079 1071376641 /nfs/dbraw/zinc/37/66/41/1071376641.db2.gz LKJYESDZTMRBBN-KRWDZBQOSA-N 1 2 463.608 1.278 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3(O)Cc4ccccc4C3)cc2)CC1 ZINC001546289754 1071393910 /nfs/dbraw/zinc/39/39/10/1071393910.db2.gz SUSOQGQPJOVURY-UHFFFAOYSA-N 1 2 451.567 1.418 20 0 JDADLO CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503276385 1071390092 /nfs/dbraw/zinc/39/00/92/1071390092.db2.gz YYGZQPACJXZDDC-UHFFFAOYSA-N 1 2 472.619 1.637 20 0 JDADLO COC[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001504581391 1071406114 /nfs/dbraw/zinc/40/61/14/1071406114.db2.gz KOGRARKEQDPSSF-HXUWFJFHSA-N 1 2 456.591 1.659 20 0 JDADLO COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001504585348 1071414411 /nfs/dbraw/zinc/41/44/11/1071414411.db2.gz RIBPJZAYJSWUOJ-AZUAARDMSA-N 1 2 473.622 1.514 20 0 JDADLO COC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504586128 1071417973 /nfs/dbraw/zinc/41/79/73/1071417973.db2.gz XRQZSJWASTVCLE-QUCCMNQESA-N 1 2 457.579 1.134 20 0 JDADLO COC[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504587761 1071423497 /nfs/dbraw/zinc/42/34/97/1071423497.db2.gz FBXSDRKWSXTJLU-FPOVZHCZSA-N 1 2 471.606 1.058 20 0 JDADLO COC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504590997 1071431059 /nfs/dbraw/zinc/43/10/59/1071431059.db2.gz RTBLWYLUZCKZPM-UXHICEINSA-N 1 2 471.606 1.443 20 0 JDADLO CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001503283098 1071442917 /nfs/dbraw/zinc/44/29/17/1071442917.db2.gz CNVHAYCUJIBTLL-UHFFFAOYSA-N 1 2 490.659 1.290 20 0 JDADLO COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001504597110 1071445252 /nfs/dbraw/zinc/44/52/52/1071445252.db2.gz UZLLKFIWWJOSEW-SFHVURJKSA-N 1 2 466.533 1.871 20 0 JDADLO COC[C@@H](F)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001504603921 1071457022 /nfs/dbraw/zinc/45/70/22/1071457022.db2.gz WBGGHGMDBZBTDH-SFTDATJTSA-N 1 2 461.586 1.556 20 0 JDADLO COC[C@H](F)Cn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504607569 1071462710 /nfs/dbraw/zinc/46/27/10/1071462710.db2.gz JZUVMIHKMZKUSF-UYAOXDASSA-N 1 2 459.570 1.381 20 0 JDADLO COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001504613234 1071472676 /nfs/dbraw/zinc/47/26/76/1071472676.db2.gz VBRHEDVGWSHXID-NJDAHSKKSA-N 1 2 468.618 1.388 20 0 JDADLO CC[S@@](=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001503294992 1071505853 /nfs/dbraw/zinc/50/58/53/1071505853.db2.gz PYUVCMSTKDRETP-JGCGQSQUSA-N 1 2 457.604 1.668 20 0 JDADLO COCC1=CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001504645093 1071508286 /nfs/dbraw/zinc/50/82/86/1071508286.db2.gz POIWYBFZBWHKTC-XMMPIXPASA-N 1 2 476.622 1.266 20 0 JDADLO COCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001504645385 1071508401 /nfs/dbraw/zinc/50/84/01/1071508401.db2.gz WJDFLTUMJUHRAG-GOSISDBHSA-N 1 2 485.614 1.805 20 0 JDADLO CC[S@](=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001503296491 1071510436 /nfs/dbraw/zinc/51/04/36/1071510436.db2.gz YWMUKNPCKZZSGR-YTTGMZPUSA-N 1 2 455.588 1.835 20 0 JDADLO CC[S@@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001503297633 1071514012 /nfs/dbraw/zinc/51/40/12/1071514012.db2.gz POYIIBSJKKEVOS-CHUXCZPMSA-N 1 2 471.693 1.650 20 0 JDADLO CC[S@](=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001503298506 1071515384 /nfs/dbraw/zinc/51/53/84/1071515384.db2.gz VTTLOQYUVGEONB-ZFZOTESZSA-N 1 2 463.604 1.716 20 0 JDADLO CC[S@](=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001503298506 1071515393 /nfs/dbraw/zinc/51/53/93/1071515393.db2.gz VTTLOQYUVGEONB-ZFZOTESZSA-N 1 2 463.604 1.716 20 0 JDADLO CC[S@](=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503302314 1071523132 /nfs/dbraw/zinc/52/31/32/1071523132.db2.gz WWBWISYPRSHLFF-NWVNFIISSA-N 1 2 486.686 1.935 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(COC)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504708842 1071560986 /nfs/dbraw/zinc/56/09/86/1071560986.db2.gz RPDFRDPVVWDJEX-SFTDATJTSA-N 1 2 464.611 1.029 20 0 JDADLO CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)CC1 ZINC001503360087 1071572157 /nfs/dbraw/zinc/57/21/57/1071572157.db2.gz WVIYIHMHZLCPNB-GOSISDBHSA-N 1 2 454.579 1.821 20 0 JDADLO CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)CC1 ZINC001503360091 1071572543 /nfs/dbraw/zinc/57/25/43/1071572543.db2.gz WVIYIHMHZLCPNB-SFHVURJKSA-N 1 2 454.579 1.821 20 0 JDADLO CN(C)C(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001503367406 1071595044 /nfs/dbraw/zinc/59/50/44/1071595044.db2.gz MYBNANKHSCXFGJ-SFHVURJKSA-N 1 2 489.646 1.450 20 0 JDADLO CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001503369277 1071599113 /nfs/dbraw/zinc/59/91/13/1071599113.db2.gz DHHMQKYBOFDJSP-GOSISDBHSA-N 1 2 470.603 1.785 20 0 JDADLO COC[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001504730378 1071600376 /nfs/dbraw/zinc/60/03/76/1071600376.db2.gz KHHNQHNNKWHRHN-NFBKMPQASA-N 1 2 470.618 1.582 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001504732520 1071604095 /nfs/dbraw/zinc/60/40/95/1071604095.db2.gz WPOZIHUYSZQXRE-MDZRGWNJSA-N 1 2 450.609 1.595 20 0 JDADLO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001504732520 1071604100 /nfs/dbraw/zinc/60/41/00/1071604100.db2.gz WPOZIHUYSZQXRE-MDZRGWNJSA-N 1 2 450.609 1.595 20 0 JDADLO COC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001504733736 1071606485 /nfs/dbraw/zinc/60/64/85/1071606485.db2.gz DPKVQMNZAJZPSB-INIZCTEOSA-N 1 2 458.544 1.573 20 0 JDADLO CN(C)C(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001503372682 1071607904 /nfs/dbraw/zinc/60/79/04/1071607904.db2.gz XCSWYKGYPZGZFV-UHFFFAOYSA-N 1 2 491.543 1.379 20 0 JDADLO CN(C)C(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001503373244 1071609132 /nfs/dbraw/zinc/60/91/32/1071609132.db2.gz BFLSLGASMRAHEL-KRWDZBQOSA-N 1 2 456.576 1.395 20 0 JDADLO COC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001504738574 1071615518 /nfs/dbraw/zinc/61/55/18/1071615518.db2.gz SIFNJWNJEBEPAL-AABGKKOBSA-N 1 2 494.637 1.922 20 0 JDADLO COC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001504738581 1071615704 /nfs/dbraw/zinc/61/57/04/1071615704.db2.gz SIFNJWNJEBEPAL-UFYCRDLUSA-N 1 2 494.637 1.922 20 0 JDADLO COC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001504739960 1071618296 /nfs/dbraw/zinc/61/82/96/1071618296.db2.gz MKIYXVRMVPOBHC-RXVVDRJESA-N 1 2 461.563 1.438 20 0 JDADLO COC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001504743987 1071621239 /nfs/dbraw/zinc/62/12/39/1071621239.db2.gz ZQZSUTHEQGJLRE-IBGZPJMESA-N 1 2 476.553 1.012 20 0 JDADLO COCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001504748204 1071625495 /nfs/dbraw/zinc/62/54/95/1071625495.db2.gz CJIVWDBGQHJGLA-HXOBKFHXSA-N 1 2 460.579 1.423 20 0 JDADLO COCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504749239 1071629239 /nfs/dbraw/zinc/62/92/39/1071629239.db2.gz ABQVANQJXVSUIE-IBGZPJMESA-N 1 2 471.400 1.592 20 0 JDADLO COCC[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504753156 1071637090 /nfs/dbraw/zinc/63/70/90/1071637090.db2.gz LQOZBCJUUIXNFJ-QHCPKHFHSA-N 1 2 471.562 1.150 20 0 JDADLO COCC[C@@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504754350 1071640131 /nfs/dbraw/zinc/64/01/31/1071640131.db2.gz FBYKWHNRQQTORI-NFBKMPQASA-N 1 2 461.563 1.347 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC001503384972 1071642799 /nfs/dbraw/zinc/64/27/99/1071642799.db2.gz YFZILJXDBZSXJC-JENIJYKNSA-N 1 2 478.594 1.324 20 0 JDADLO COCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001504755745 1071643245 /nfs/dbraw/zinc/64/32/45/1071643245.db2.gz KOSQSDRABWYEFF-URXFXBBRSA-N 1 2 491.658 1.332 20 0 JDADLO C[NH+](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccsc1 ZINC001503388283 1071646785 /nfs/dbraw/zinc/64/67/85/1071646785.db2.gz NPXSZSYHVVMXRK-IAGOWNOFSA-N 1 2 466.633 1.607 20 0 JDADLO C[NH+](C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccsc1 ZINC001503388284 1071646795 /nfs/dbraw/zinc/64/67/95/1071646795.db2.gz NPXSZSYHVVMXRK-IRXDYDNUSA-N 1 2 466.633 1.607 20 0 JDADLO 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CN(C)c1ccc(Cn2c(-c3ccccn3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)c[nH+]1 ZINC001503392678 1071652632 /nfs/dbraw/zinc/65/26/32/1071652632.db2.gz IXMGVKBBPPMVJQ-UHFFFAOYSA-N 1 2 470.603 1.710 20 0 JDADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(Cc3ccsc3)n1CCS(=O)(=O)N(C)C)C2 ZINC001503392909 1071652718 /nfs/dbraw/zinc/65/27/18/1071652718.db2.gz YWAARJSFVVTEHF-UHFFFAOYSA-N 1 2 475.644 1.846 20 0 JDADLO CN(C)c1ccc(Cn2c(COc3ccc(F)cc3)nnc2N(C)CC(=O)N2CCOCC2)c[nH+]1 ZINC001503393280 1071653164 /nfs/dbraw/zinc/65/31/64/1071653164.db2.gz IDKNORQIAZIGHZ-UHFFFAOYSA-N 1 2 483.548 1.801 20 0 JDADLO CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)c[nH+]1 ZINC001503393683 1071653293 /nfs/dbraw/zinc/65/32/93/1071653293.db2.gz OUAFRVIYAYARHI-INIZCTEOSA-N 1 2 466.512 1.813 20 0 JDADLO CN(C)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c[nH+]1 ZINC001503394694 1071653875 /nfs/dbraw/zinc/65/38/75/1071653875.db2.gz WQPXUQBGBWDIRL-HZPDHXFCSA-N 1 2 467.496 1.796 20 0 JDADLO CN(C)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCS(=O)CC2)c[nH+]1 ZINC001503394976 1071654464 /nfs/dbraw/zinc/65/44/64/1071654464.db2.gz VGWYRRPZRSSVIQ-UHFFFAOYSA-N 1 2 459.601 1.348 20 0 JDADLO CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001503394943 1071654495 /nfs/dbraw/zinc/65/44/95/1071654495.db2.gz USSVAKTUGDFKSO-SFHVURJKSA-N 1 2 461.636 1.610 20 0 JDADLO CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(C)(C)C)C2)c[nH+]1 ZINC001503394972 1071654515 /nfs/dbraw/zinc/65/45/15/1071654515.db2.gz VGLDRQHYONOGTK-OALUTQOASA-N 1 2 491.662 1.993 20 0 JDADLO COCC[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001504791706 1071674586 /nfs/dbraw/zinc/67/45/86/1071674586.db2.gz ZHDKVBDBDQLIDX-UFYCRDLUSA-N 1 2 451.612 1.976 20 0 JDADLO COCC[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001504791706 1071674601 /nfs/dbraw/zinc/67/46/01/1071674601.db2.gz ZHDKVBDBDQLIDX-UFYCRDLUSA-N 1 2 451.612 1.976 20 0 JDADLO COCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001504805361 1071681174 /nfs/dbraw/zinc/68/11/74/1071681174.db2.gz BQHREZVQNIZEFB-OAQYLSRUSA-N 1 2 452.625 1.195 20 0 JDADLO COCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001504805360 1071681337 /nfs/dbraw/zinc/68/13/37/1071681337.db2.gz BQHREZVQNIZEFB-NRFANRHFSA-N 1 2 452.625 1.195 20 0 JDADLO COCCCN(c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001504815914 1071688721 /nfs/dbraw/zinc/68/87/21/1071688721.db2.gz DPFXYTVWVYLHFW-UXHICEINSA-N 1 2 467.636 1.464 20 0 JDADLO COCCCN(c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001504815914 1071688725 /nfs/dbraw/zinc/68/87/25/1071688725.db2.gz DPFXYTVWVYLHFW-UXHICEINSA-N 1 2 467.636 1.464 20 0 JDADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCS2)CC1 ZINC001504830128 1071712796 /nfs/dbraw/zinc/71/27/96/1071712796.db2.gz BGEWKLPGFSEMOJ-RBUKOAKNSA-N 1 2 475.663 1.842 20 0 JDADLO COCCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001504835545 1071735018 /nfs/dbraw/zinc/73/50/18/1071735018.db2.gz ZQSYQAIBHGTZKU-FQEVSTJZSA-N 1 2 471.606 1.660 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503440020 1071750837 /nfs/dbraw/zinc/75/08/37/1071750837.db2.gz ZGRNVMDHACVLPQ-UHFFFAOYSA-N 1 2 464.574 1.971 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001503441522 1071756934 /nfs/dbraw/zinc/75/69/34/1071756934.db2.gz LTGOFHVDSIWETO-IBGZPJMESA-N 1 2 464.574 1.873 20 0 JDADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCOC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503443254 1071761417 /nfs/dbraw/zinc/76/14/17/1071761417.db2.gz ZAABVUPTPZFSMI-IBGZPJMESA-N 1 2 471.606 1.803 20 0 JDADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1CCNS(C)(=O)=O ZINC001503448496 1071768199 /nfs/dbraw/zinc/76/81/99/1071768199.db2.gz FDWHWLSOVCUWTO-KRWDZBQOSA-N 1 2 484.692 1.987 20 0 JDADLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1CC1([S@](C)=O)CC1 ZINC001503449078 1071769910 /nfs/dbraw/zinc/76/99/10/1071769910.db2.gz NNVQJSPOJHLNFE-YTTGMZPUSA-N 1 2 460.648 1.970 20 0 JDADLO CN(CC(C)(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn2ccccc2[nH+]1 ZINC001503449386 1071771074 /nfs/dbraw/zinc/77/10/74/1071771074.db2.gz ZDRQTSOFMWAAEE-SFHVURJKSA-N 1 2 475.619 1.984 20 0 JDADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(C3CCCC3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001504860378 1071792975 /nfs/dbraw/zinc/79/29/75/1071792975.db2.gz IBEHQGCQTOXGNC-FPOVZHCZSA-N 1 2 498.694 1.533 20 0 JDADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(C3CCCC3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001504860383 1071793214 /nfs/dbraw/zinc/79/32/14/1071793214.db2.gz IBEHQGCQTOXGNC-TZIWHRDSSA-N 1 2 498.694 1.533 20 0 JDADLO CN(Cc1cnn(C)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001503497641 1071807680 /nfs/dbraw/zinc/80/76/80/1071807680.db2.gz JXOULVYQSOLCTI-AZUAARDMSA-N 1 2 475.594 1.992 20 0 JDADLO CN(CC1CCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1cccc[nH+]1 ZINC001503534389 1071828373 /nfs/dbraw/zinc/82/83/73/1071828373.db2.gz CGEDUUZAJSRQPY-GOSISDBHSA-N 1 2 463.608 1.745 20 0 JDADLO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c[nH+]ccc2OC)CC1=O ZINC001504903181 1071839312 /nfs/dbraw/zinc/83/93/12/1071839312.db2.gz IXYSVRXZMGDACC-UHFFFAOYSA-N 1 2 493.568 1.894 20 0 JDADLO COCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001504910521 1071864510 /nfs/dbraw/zinc/86/45/10/1071864510.db2.gz LJIFMGGKCUYQOY-UHFFFAOYSA-N 1 2 458.607 1.833 20 0 JDADLO COCC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C[C@@H]1C ZINC001504911526 1071867828 /nfs/dbraw/zinc/86/78/28/1071867828.db2.gz VNBIBLCMXLKFEM-WMZHIEFXSA-N 1 2 461.611 1.681 20 0 JDADLO COCC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C[C@@H]1C ZINC001504911526 1071867829 /nfs/dbraw/zinc/86/78/29/1071867829.db2.gz VNBIBLCMXLKFEM-WMZHIEFXSA-N 1 2 461.611 1.681 20 0 JDADLO CN(CCCS(C)(=O)=O)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCSCC1 ZINC001503603846 1071884083 /nfs/dbraw/zinc/88/40/83/1071884083.db2.gz RSDULLTUQFOFKS-UHFFFAOYSA-N 1 2 491.481 1.955 20 0 JDADLO COCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001504919082 1071888548 /nfs/dbraw/zinc/88/85/48/1071888548.db2.gz YAHVCODKXRDSHC-PMACEKPBSA-N 1 2 476.025 1.954 20 0 JDADLO COCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001504919083 1071888622 /nfs/dbraw/zinc/88/86/22/1071888622.db2.gz YAHVCODKXRDSHC-UXHICEINSA-N 1 2 476.025 1.954 20 0 JDADLO C[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1)Cc1ccc(F)cc1 ZINC001503613205 1071898679 /nfs/dbraw/zinc/89/86/79/1071898679.db2.gz WWTGEVPKBXAWTO-LJQANCHMSA-N 1 2 492.621 1.543 20 0 JDADLO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1)Cc1ccc(F)cc1 ZINC001503613205 1071898686 /nfs/dbraw/zinc/89/86/86/1071898686.db2.gz WWTGEVPKBXAWTO-LJQANCHMSA-N 1 2 492.621 1.543 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001503617878 1071904104 /nfs/dbraw/zinc/90/41/04/1071904104.db2.gz DQEZEFWJQDBDSY-UHFFFAOYSA-N 1 2 497.522 1.667 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F ZINC001503618458 1071904746 /nfs/dbraw/zinc/90/47/46/1071904746.db2.gz HYMAYOXYDRCXKP-QGZVFWFLSA-N 1 2 484.479 1.238 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCOC2)n1CC(=O)NCCc1ccccc1 ZINC001503617691 1071902881 /nfs/dbraw/zinc/90/28/81/1071902881.db2.gz BFMJPBSDAWLZLH-NRFANRHFSA-N 1 2 456.591 1.299 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cccn1 ZINC001503617793 1071903473 /nfs/dbraw/zinc/90/34/73/1071903473.db2.gz BWPXPGJVUOTFIC-UHFFFAOYSA-N 1 2 473.603 1.404 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001503618993 1071907555 /nfs/dbraw/zinc/90/75/55/1071907555.db2.gz BXFDWHNOIXBJAR-MRXNPFEDSA-N 1 2 456.517 1.331 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001503620262 1071910867 /nfs/dbraw/zinc/91/08/67/1071910867.db2.gz RQADXZIIJBDXIB-IBGZPJMESA-N 1 2 467.549 1.592 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001503620260 1071910938 /nfs/dbraw/zinc/91/09/38/1071910938.db2.gz RMOTUFGUAJQTRB-MRXNPFEDSA-N 1 2 483.495 1.382 20 0 JDADLO COCCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001504925223 1071912352 /nfs/dbraw/zinc/91/23/52/1071912352.db2.gz BMPITJJFXGIZNG-HXUWFJFHSA-N 1 2 488.658 1.895 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 ZINC001503621054 1071913905 /nfs/dbraw/zinc/91/39/05/1071913905.db2.gz LUROVUAKYGDPNY-HSALFYBXSA-N 1 2 494.637 1.623 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 ZINC001503621276 1071915432 /nfs/dbraw/zinc/91/54/32/1071915432.db2.gz NDLOGNWJZDUVBE-IBGZPJMESA-N 1 2 494.637 1.660 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001503621706 1071917997 /nfs/dbraw/zinc/91/79/97/1071917997.db2.gz RIGPWJOMPVUSJJ-AZUAARDMSA-N 1 2 460.554 1.381 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 ZINC001503621722 1071918059 /nfs/dbraw/zinc/91/80/59/1071918059.db2.gz RTTKANKKDLLFQC-UHFFFAOYSA-N 1 2 482.511 1.220 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001503621068 1071914070 /nfs/dbraw/zinc/91/40/70/1071914070.db2.gz MOFAMAYBZKZUFA-MSOLQXFVSA-N 1 2 462.620 1.589 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001504928269 1071926922 /nfs/dbraw/zinc/92/69/22/1071926922.db2.gz ADTIUOQWQVQROH-XUVXKRRUSA-N 1 2 464.655 1.955 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001504930655 1071935057 /nfs/dbraw/zinc/93/50/57/1071935057.db2.gz JNNFHBPISZFAGV-JAXLGGSGSA-N 1 2 485.633 1.352 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001504930657 1071935265 /nfs/dbraw/zinc/93/52/65/1071935265.db2.gz JNNFHBPISZFAGV-KCZVDYSFSA-N 1 2 485.633 1.352 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001504934910 1071954417 /nfs/dbraw/zinc/95/44/17/1071954417.db2.gz VZKSJRXGGTXXPV-IYWMVGAKSA-N 1 2 464.611 1.218 20 0 JDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001504934910 1071954425 /nfs/dbraw/zinc/95/44/25/1071954425.db2.gz VZKSJRXGGTXXPV-IYWMVGAKSA-N 1 2 464.611 1.218 20 0 JDADLO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2ccc[nH]2)n1CCS(C)(=O)=O ZINC001503638145 1071954976 /nfs/dbraw/zinc/95/49/76/1071954976.db2.gz CNRZHFXRMIQCMK-QFBILLFUSA-N 1 2 460.608 1.571 20 0 JDADLO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2ccc[nH]2)n1CCS(C)(=O)=O ZINC001503638145 1071954977 /nfs/dbraw/zinc/95/49/77/1071954977.db2.gz CNRZHFXRMIQCMK-QFBILLFUSA-N 1 2 460.608 1.571 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001504938091 1071971835 /nfs/dbraw/zinc/97/18/35/1071971835.db2.gz NKTALZKFTLFZQA-UHFFFAOYSA-N 1 2 477.654 1.010 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001504938180 1071972361 /nfs/dbraw/zinc/97/23/61/1071972361.db2.gz OXMKZAGQTJRSJK-FQEVSTJZSA-N 1 2 478.638 1.610 20 0 JDADLO COCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001504938180 1071972370 /nfs/dbraw/zinc/97/23/70/1071972370.db2.gz OXMKZAGQTJRSJK-FQEVSTJZSA-N 1 2 478.638 1.610 20 0 JDADLO COCCO[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001504942928 1071985692 /nfs/dbraw/zinc/98/56/92/1071985692.db2.gz RPMRPGOPZOYUCG-NQIIRXRSSA-N 1 2 477.631 1.684 20 0 JDADLO COCCO[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001504942928 1071985694 /nfs/dbraw/zinc/98/56/94/1071985694.db2.gz RPMRPGOPZOYUCG-NQIIRXRSSA-N 1 2 477.631 1.684 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504944455 1071986788 /nfs/dbraw/zinc/98/67/88/1071986788.db2.gz KLLRNDIKZITVHE-CYFREDJKSA-N 1 2 481.638 1.887 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504944465 1071986963 /nfs/dbraw/zinc/98/69/63/1071986963.db2.gz KLLRNDIKZITVHE-YADARESESA-N 1 2 481.638 1.887 20 0 JDADLO Cn1cccc1-c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCCNc1cccc[nH+]1 ZINC001503666788 1071993763 /nfs/dbraw/zinc/99/37/63/1071993763.db2.gz HTHDIRIZLMEGKV-UHFFFAOYSA-N 1 2 458.592 1.699 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001504949875 1071994533 /nfs/dbraw/zinc/99/45/33/1071994533.db2.gz KFUHVDBJQHIPNK-OTWHNJEPSA-N 1 2 460.579 1.896 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504957767 1072002425 /nfs/dbraw/zinc/00/24/25/1072002425.db2.gz CBFQASBWKPCSEM-KNQAVFIVSA-N 1 2 478.638 1.419 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001503675687 1072007016 /nfs/dbraw/zinc/00/70/16/1072007016.db2.gz SWXRHPCECDHCLU-NXMSCROESA-N 1 2 491.637 1.296 20 0 JDADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O ZINC001503675689 1072007640 /nfs/dbraw/zinc/00/76/40/1072007640.db2.gz SWXRHPCECDHCLU-RHGYRFJNSA-N 1 2 491.637 1.296 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001504969113 1072017838 /nfs/dbraw/zinc/01/78/38/1072017838.db2.gz YMIDUDUKBNALQT-JPYJTQIMSA-N 1 2 496.678 1.315 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(OC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504971470 1072023173 /nfs/dbraw/zinc/02/31/73/1072023173.db2.gz CGASMWXMKYXWAA-XMSQKQJNSA-N 1 2 452.600 1.172 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001504984919 1072034265 /nfs/dbraw/zinc/03/42/65/1072034265.db2.gz QAAMSJDIOHWMLW-SFHVURJKSA-N 1 2 490.571 1.941 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001504987658 1072040751 /nfs/dbraw/zinc/04/07/51/1072040751.db2.gz KRODYGUPMNCDGB-QZTJIDSGSA-N 1 2 457.641 1.890 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001504987234 1072039011 /nfs/dbraw/zinc/03/90/11/1072039011.db2.gz INKIYYLYRFUYRB-RTBURBONSA-N 1 2 487.605 1.339 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001504987269 1072039549 /nfs/dbraw/zinc/03/95/49/1072039549.db2.gz JENVXJZXBNLLHS-RBUKOAKNSA-N 1 2 487.605 1.339 20 0 JDADLO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001503702481 1072043477 /nfs/dbraw/zinc/04/34/77/1072043477.db2.gz UTFGGCMDVLXHRU-UHFFFAOYSA-N 1 2 452.563 1.655 20 0 JDADLO CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001503703855 1072046080 /nfs/dbraw/zinc/04/60/80/1072046080.db2.gz IWGCTNFGLXKQPX-SFHVURJKSA-N 1 2 471.606 1.115 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001504990683 1072049657 /nfs/dbraw/zinc/04/96/57/1072049657.db2.gz XCIHTSKAZADMCJ-SFHVURJKSA-N 1 2 457.579 1.714 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504991085 1072051436 /nfs/dbraw/zinc/05/14/36/1072051436.db2.gz YPFCVDSNYLXZQR-KURKYZTESA-N 1 2 478.560 1.796 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504991085 1072051448 /nfs/dbraw/zinc/05/14/48/1072051448.db2.gz YPFCVDSNYLXZQR-KURKYZTESA-N 1 2 478.560 1.796 20 0 JDADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503712310 1072052623 /nfs/dbraw/zinc/05/26/23/1072052623.db2.gz HMVCMTHWIZEJFD-QGZVFWFLSA-N 1 2 464.574 1.747 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCc1nnc(C)[nH]1 ZINC001504995943 1072066517 /nfs/dbraw/zinc/06/65/17/1072066517.db2.gz UEDVOCHOUFHNCK-IAGOWNOFSA-N 1 2 462.599 1.361 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1nnc(C)[nH]1 ZINC001504995943 1072066525 /nfs/dbraw/zinc/06/65/25/1072066525.db2.gz UEDVOCHOUFHNCK-IAGOWNOFSA-N 1 2 462.599 1.361 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCS(=O)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001505002927 1072083945 /nfs/dbraw/zinc/08/39/45/1072083945.db2.gz QNZANYXNUYWWBU-KSZLIROESA-N 1 2 457.641 1.459 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2CCS(=O)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001505002927 1072083958 /nfs/dbraw/zinc/08/39/58/1072083958.db2.gz QNZANYXNUYWWBU-KSZLIROESA-N 1 2 457.641 1.459 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCS(=O)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001505002931 1072083830 /nfs/dbraw/zinc/08/38/30/1072083830.db2.gz QNZANYXNUYWWBU-OKZBNKHCSA-N 1 2 457.641 1.459 20 0 JDADLO COCCO[C@H](C)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001505004296 1072085001 /nfs/dbraw/zinc/08/50/01/1072085001.db2.gz WIBFGGKLXIAKHX-GOSISDBHSA-N 1 2 474.587 1.530 20 0 JDADLO COCCO[C@@H](C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001505010426 1072093696 /nfs/dbraw/zinc/09/36/96/1072093696.db2.gz QEDMZEPZBMWSMW-LYXWCMDISA-N 1 2 494.637 1.826 20 0 JDADLO COCCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001505031058 1072123902 /nfs/dbraw/zinc/12/39/02/1072123902.db2.gz GSKGLEPYOIIBOT-RCCFBDPRSA-N 1 2 483.660 1.786 20 0 JDADLO COCCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001505033462 1072128166 /nfs/dbraw/zinc/12/81/66/1072128166.db2.gz LYSGZIBYUMZKII-QFIPXVFZSA-N 1 2 491.036 1.928 20 0 JDADLO COCCO[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001505044269 1072140745 /nfs/dbraw/zinc/14/07/45/1072140745.db2.gz MODOJZCYLJEISW-JOCHJYFZSA-N 1 2 488.608 1.804 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001505056949 1072159308 /nfs/dbraw/zinc/15/93/08/1072159308.db2.gz NMNPHZYCOVAFMG-CUWPLCDZSA-N 1 2 492.646 1.915 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ncccc1N(C)C ZINC001505062662 1072164254 /nfs/dbraw/zinc/16/42/54/1072164254.db2.gz APNCDUJYOGFUEL-RXVVDRJESA-N 1 2 459.595 1.280 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(=O)OC)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001505066917 1072170268 /nfs/dbraw/zinc/17/02/68/1072170268.db2.gz DNYZFFJNCZJFBQ-NEWSRXKRSA-N 1 2 451.568 1.112 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(=O)OC)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001505066917 1072170274 /nfs/dbraw/zinc/17/02/74/1072170274.db2.gz DNYZFFJNCZJFBQ-NEWSRXKRSA-N 1 2 451.568 1.112 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001505068769 1072173453 /nfs/dbraw/zinc/17/34/53/1072173453.db2.gz ZUJCRQJTRQZCMF-OTWHNJEPSA-N 1 2 451.612 1.974 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001505073871 1072185344 /nfs/dbraw/zinc/18/53/44/1072185344.db2.gz QBKILWQKWVESED-YRXWBPOGSA-N 1 2 451.568 1.112 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1c[nH+]ccc1OC ZINC001505079520 1072198232 /nfs/dbraw/zinc/19/82/32/1072198232.db2.gz FDXNXXQMDNWUOP-PXNSSMCTSA-N 1 2 458.563 1.759 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCNC(=O)C(C)C ZINC001505081056 1072207264 /nfs/dbraw/zinc/20/72/64/1072207264.db2.gz YDCSPDANUJDJFU-ICSRJNTNSA-N 1 2 472.594 1.199 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC(C)C ZINC001505082282 1072213496 /nfs/dbraw/zinc/21/34/96/1072213496.db2.gz NZCHPJOCYZIBDM-BDTNDASRSA-N 1 2 464.655 1.889 20 0 JDADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001505085092 1072221982 /nfs/dbraw/zinc/22/19/82/1072221982.db2.gz XIXVQCSMSRFLRL-OALUTQOASA-N 1 2 469.652 1.747 20 0 JDADLO CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001505096143 1072233242 /nfs/dbraw/zinc/23/32/42/1072233242.db2.gz ZNINZPBSTIDHES-ZOBUZTSGSA-N 1 2 488.611 1.283 20 0 JDADLO CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001505096143 1072233258 /nfs/dbraw/zinc/23/32/58/1072233258.db2.gz ZNINZPBSTIDHES-ZOBUZTSGSA-N 1 2 488.611 1.283 20 0 JDADLO CO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001505099805 1072234629 /nfs/dbraw/zinc/23/46/29/1072234629.db2.gz RNNKAPRIAVWXKA-CPUCHLNUSA-N 1 2 472.562 1.695 20 0 JDADLO CO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001505109157 1072245134 /nfs/dbraw/zinc/24/51/34/1072245134.db2.gz XZSJLNBGPIYZJC-HKUYNNGSSA-N 1 2 460.554 1.946 20 0 JDADLO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1OC ZINC001505113659 1072249842 /nfs/dbraw/zinc/24/98/42/1072249842.db2.gz CPPNIFOVTQEBHD-GBESFXJTSA-N 1 2 473.578 1.132 20 0 JDADLO CS(=O)(=O)[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)C1 ZINC001505122787 1072274959 /nfs/dbraw/zinc/27/49/59/1072274959.db2.gz ABHGMIGWJWRRQT-SJORKVTESA-N 1 2 461.592 1.530 20 0 JDADLO CS(=O)(=O)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001505130516 1072298301 /nfs/dbraw/zinc/29/83/01/1072298301.db2.gz MWZJCDBXKKWWOV-GOSISDBHSA-N 1 2 481.644 1.458 20 0 JDADLO CS(=O)(=O)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001505130516 1072298308 /nfs/dbraw/zinc/29/83/08/1072298308.db2.gz MWZJCDBXKKWWOV-GOSISDBHSA-N 1 2 481.644 1.458 20 0 JDADLO CS(=O)(=O)CCCn1c(-c2cnccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001505130862 1072300192 /nfs/dbraw/zinc/30/01/92/1072300192.db2.gz OYDSRCKKVPIGCF-UHFFFAOYSA-N 1 2 461.617 1.596 20 0 JDADLO CS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001505133318 1072308721 /nfs/dbraw/zinc/30/87/21/1072308721.db2.gz KPDKLMCRUXNXFT-UHFFFAOYSA-N 1 2 490.611 1.115 20 0 JDADLO CS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001505133657 1072310179 /nfs/dbraw/zinc/31/01/79/1072310179.db2.gz WOJSIWAKOBEGOI-UHFFFAOYSA-N 1 2 481.022 1.581 20 0 JDADLO CS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001505135363 1072317651 /nfs/dbraw/zinc/31/76/51/1072317651.db2.gz LOUKPAMYMRDIPO-UHFFFAOYSA-N 1 2 454.600 1.673 20 0 JDADLO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCNc2cccc[nH+]2)C1 ZINC001505139535 1072338295 /nfs/dbraw/zinc/33/82/95/1072338295.db2.gz RDLBSYHWBHKMFQ-IAGOWNOFSA-N 1 2 499.588 1.990 20 0 JDADLO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCNc2cccc[nH+]2)C1 ZINC001505139540 1072338774 /nfs/dbraw/zinc/33/87/74/1072338774.db2.gz RDLBSYHWBHKMFQ-SJORKVTESA-N 1 2 499.588 1.990 20 0 JDADLO CS(=O)(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CCCNc2cccc[nH+]2)CC1 ZINC001505140497 1072345001 /nfs/dbraw/zinc/34/50/01/1072345001.db2.gz PQNLIEIBLHTCCM-UHFFFAOYSA-N 1 2 470.603 1.679 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3c4c[nH]nc4CC[C@@H]3C)cc2)CC1 ZINC001464747974 1067647260 /nfs/dbraw/zinc/64/72/60/1067647260.db2.gz NRRMKYZLTUEXFA-MHECFPHRSA-N 1 2 453.587 1.977 20 0 JDADLO C[C@@H](NC(=O)CCC(=O)N(C)CC[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1 ZINC001464795695 1067658566 /nfs/dbraw/zinc/65/85/66/1067658566.db2.gz XJBKLFGWGDJTGZ-OAHLLOKOSA-N 1 2 454.365 1.707 20 0 JDADLO CC1(C)COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001464832105 1067667220 /nfs/dbraw/zinc/66/72/20/1067667220.db2.gz VQNWXOYZBXBPSK-UHFFFAOYSA-N 1 2 457.902 1.864 20 0 JDADLO CC1(C)COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001464832105 1067667229 /nfs/dbraw/zinc/66/72/29/1067667229.db2.gz VQNWXOYZBXBPSK-UHFFFAOYSA-N 1 2 457.902 1.864 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC001464903188 1067693607 /nfs/dbraw/zinc/69/36/07/1067693607.db2.gz AKYNMPIBZOFCEA-UHFFFAOYSA-N 1 2 457.618 1.100 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC001464903269 1067693783 /nfs/dbraw/zinc/69/37/83/1067693783.db2.gz CCHROYASXUQLKQ-UHFFFAOYSA-N 1 2 456.362 1.942 20 0 JDADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001464903762 1067693870 /nfs/dbraw/zinc/69/38/70/1067693870.db2.gz FSJSKNFCHOXAJA-LBPRGKRZSA-N 1 2 450.388 1.737 20 0 JDADLO Cc1ccc(-n2cnnc2SCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1C ZINC001464904957 1067694474 /nfs/dbraw/zinc/69/44/74/1067694474.db2.gz MULCGFNKZIGQSN-UHFFFAOYSA-N 1 2 451.618 1.601 20 0 JDADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001464905474 1067695442 /nfs/dbraw/zinc/69/54/42/1067695442.db2.gz GUTLGVVYBUUBJS-FPXQBCRKSA-N 1 2 454.593 1.172 20 0 JDADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001464907083 1067696244 /nfs/dbraw/zinc/69/62/44/1067696244.db2.gz YIUZJFLWCJJPMV-IBGZPJMESA-N 1 2 451.589 1.315 20 0 JDADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001464922340 1067702210 /nfs/dbraw/zinc/70/22/10/1067702210.db2.gz GCIXCCMQDDJFAZ-OAHLLOKOSA-N 1 2 452.483 1.445 20 0 JDADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001464922340 1067702221 /nfs/dbraw/zinc/70/22/21/1067702221.db2.gz GCIXCCMQDDJFAZ-OAHLLOKOSA-N 1 2 452.483 1.445 20 0 JDADLO CCOCC[NH+]1CCN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)CC1 ZINC001464953814 1067711845 /nfs/dbraw/zinc/71/18/45/1067711845.db2.gz LPJJIKDZOKHZEB-UHFFFAOYSA-N 1 2 450.584 1.953 20 0 JDADLO COC(=O)CN1CCN(c2ccc(NC(=O)c3cccn3CC[NH+]3CCOCC3)cc2)CC1 ZINC001464985972 1067720056 /nfs/dbraw/zinc/72/00/56/1067720056.db2.gz GUROCECPWSZWJC-UHFFFAOYSA-N 1 2 455.559 1.368 20 0 JDADLO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC001464993694 1067722113 /nfs/dbraw/zinc/72/21/13/1067722113.db2.gz ZUOQOGJEYQKVQM-QGZVFWFLSA-N 1 2 455.625 1.873 20 0 JDADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC001464996902 1067722869 /nfs/dbraw/zinc/72/28/69/1067722869.db2.gz BNUUWBGDHKXURB-XLIONFOSSA-N 1 2 452.559 1.511 20 0 JDADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC001464996902 1067722880 /nfs/dbraw/zinc/72/28/80/1067722880.db2.gz BNUUWBGDHKXURB-XLIONFOSSA-N 1 2 452.559 1.511 20 0 JDADLO CCn1c(=O)c2ccc(C(=O)NCc3ccc(C(=O)NCC[NH+](C)C)cc3)cc2[nH]c1=S ZINC001464999999 1067724134 /nfs/dbraw/zinc/72/41/34/1067724134.db2.gz DLMBCPCOACQYTA-UHFFFAOYSA-N 1 2 453.568 1.927 20 0 JDADLO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001465000078 1067724172 /nfs/dbraw/zinc/72/41/72/1067724172.db2.gz BBTDCPISVKUKSF-QFBILLFUSA-N 1 2 455.625 1.872 20 0 JDADLO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001465000078 1067724180 /nfs/dbraw/zinc/72/41/80/1067724180.db2.gz BBTDCPISVKUKSF-QFBILLFUSA-N 1 2 455.625 1.872 20 0 JDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC001465008047 1067727431 /nfs/dbraw/zinc/72/74/31/1067727431.db2.gz XKQSPVBCDJPHNX-QGZVFWFLSA-N 1 2 450.543 1.574 20 0 JDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC001465008033 1067727561 /nfs/dbraw/zinc/72/75/61/1067727561.db2.gz XKQSPVBCDJPHNX-KRWDZBQOSA-N 1 2 450.543 1.574 20 0 JDADLO CCOc1ccc(NC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC001465052084 1067734565 /nfs/dbraw/zinc/73/45/65/1067734565.db2.gz ROXPRKWHQDMTEJ-KRWDZBQOSA-N 1 2 453.609 1.627 20 0 JDADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CC[C@H](NS(C)(=O)=O)C1)Cc1ccccc1 ZINC001465055637 1067735425 /nfs/dbraw/zinc/73/54/25/1067735425.db2.gz YYIPRZGXCJMDCO-SFHVURJKSA-N 1 2 454.593 1.163 20 0 JDADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CC[C@H](NS(C)(=O)=O)C1)Cc1ccccc1 ZINC001465055637 1067735437 /nfs/dbraw/zinc/73/54/37/1067735437.db2.gz YYIPRZGXCJMDCO-SFHVURJKSA-N 1 2 454.593 1.163 20 0 JDADLO C[C@H](NC(=O)CCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(=O)c1ccc(Br)cc1 ZINC001465080462 1067740498 /nfs/dbraw/zinc/74/04/98/1067740498.db2.gz ZIEADCKBKQAEEZ-WMLDXEAASA-N 1 2 453.381 1.279 20 0 JDADLO C[C@H](NC(=O)CCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(=O)c1ccc(Br)cc1 ZINC001465080462 1067740504 /nfs/dbraw/zinc/74/05/04/1067740504.db2.gz ZIEADCKBKQAEEZ-WMLDXEAASA-N 1 2 453.381 1.279 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001465207980 1067761567 /nfs/dbraw/zinc/76/15/67/1067761567.db2.gz URGNMAFHYRBEKJ-QFBILLFUSA-N 1 2 453.609 1.626 20 0 JDADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001465207980 1067761582 /nfs/dbraw/zinc/76/15/82/1067761582.db2.gz URGNMAFHYRBEKJ-QFBILLFUSA-N 1 2 453.609 1.626 20 0 JDADLO C[S@](=O)C1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001465273359 1067770747 /nfs/dbraw/zinc/77/07/47/1067770747.db2.gz IYCPXQWJSSBXJZ-HKBQPEDESA-N 1 2 457.637 1.705 20 0 JDADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001465276827 1067770784 /nfs/dbraw/zinc/77/07/84/1067770784.db2.gz IMWWWFYOEWSIEA-UHFFFAOYSA-N 1 2 450.952 1.557 20 0 JDADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001465276827 1067770798 /nfs/dbraw/zinc/77/07/98/1067770798.db2.gz IMWWWFYOEWSIEA-UHFFFAOYSA-N 1 2 450.952 1.557 20 0 JDADLO Cc1c(NC(=O)CSCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(=O)n(-c2ccccc2)n1C ZINC001465314855 1067778504 /nfs/dbraw/zinc/77/85/04/1067778504.db2.gz VRRFVSBREGPGAG-MRXNPFEDSA-N 1 2 456.572 1.805 20 0 JDADLO C[C@@H]1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001465371996 1067788526 /nfs/dbraw/zinc/78/85/26/1067788526.db2.gz YMAGFRDQZSHQKL-RTBURBONSA-N 1 2 474.606 1.997 20 0 JDADLO C[C@@H]1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCN1C(=O)OC(C)(C)C ZINC001465371996 1067788538 /nfs/dbraw/zinc/78/85/38/1067788538.db2.gz YMAGFRDQZSHQKL-RTBURBONSA-N 1 2 474.606 1.997 20 0 JDADLO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379292 1067790929 /nfs/dbraw/zinc/79/09/29/1067790929.db2.gz MIEQLQCOXWHLKA-GOEBONIOSA-N 1 2 456.406 1.979 20 0 JDADLO O=C(Nc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1)c1ccc(F)cc1 ZINC001465380084 1067790952 /nfs/dbraw/zinc/79/09/52/1067790952.db2.gz UZXKSAFOULLHJT-OAQYLSRUSA-N 1 2 454.502 1.741 20 0 JDADLO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379293 1067791294 /nfs/dbraw/zinc/79/12/94/1067791294.db2.gz MIEQLQCOXWHLKA-HOCLYGCPSA-N 1 2 456.406 1.979 20 0 JDADLO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC001465528795 1067808204 /nfs/dbraw/zinc/80/82/04/1067808204.db2.gz YYUSGQIDJCWUFG-VFNWGFHPSA-N 1 2 452.914 1.569 20 0 JDADLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC001465674643 1067818560 /nfs/dbraw/zinc/81/85/60/1067818560.db2.gz FPCGQASNBUJEDX-KDURUIRLSA-N 1 2 453.605 1.667 20 0 JDADLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC001465674644 1067818601 /nfs/dbraw/zinc/81/86/01/1067818601.db2.gz FPCGQASNBUJEDX-OALUTQOASA-N 1 2 453.605 1.667 20 0 JDADLO COc1ccc(CC(=O)NCc2ccc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2)cc1 ZINC001465702145 1067821421 /nfs/dbraw/zinc/82/14/21/1067821421.db2.gz FDTONOFPYRMETJ-JOCHJYFZSA-N 1 2 455.555 1.319 20 0 JDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC001465702826 1067821671 /nfs/dbraw/zinc/82/16/71/1067821671.db2.gz QWWRDTTZRLYUAC-FUMNGEBKSA-N 1 2 455.596 1.333 20 0 JDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001465702829 1067821731 /nfs/dbraw/zinc/82/17/31/1067821731.db2.gz QWWRDTTZRLYUAC-WCIQWLHISA-N 1 2 455.596 1.333 20 0 JDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001465702953 1067821741 /nfs/dbraw/zinc/82/17/41/1067821741.db2.gz TWYZMTNLBJKJCN-FQEVSTJZSA-N 1 2 453.605 1.405 20 0 JDADLO COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1=O ZINC001465726968 1067824034 /nfs/dbraw/zinc/82/40/34/1067824034.db2.gz ZRYZSYASMYLZMP-RBUKOAKNSA-N 1 2 457.552 1.954 20 0 JDADLO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1=O ZINC001465726970 1067824100 /nfs/dbraw/zinc/82/41/00/1067824100.db2.gz ZRYZSYASMYLZMP-RTBURBONSA-N 1 2 457.552 1.954 20 0 JDADLO COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1=O ZINC001465726967 1067824148 /nfs/dbraw/zinc/82/41/48/1067824148.db2.gz ZRYZSYASMYLZMP-OALUTQOASA-N 1 2 457.552 1.954 20 0 JDADLO O=C(CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCN(c2ccccc2)CC1 ZINC001465739720 1067824840 /nfs/dbraw/zinc/82/48/40/1067824840.db2.gz JDICBZCLZTYHMT-UHFFFAOYSA-N 1 2 455.563 1.076 20 0 JDADLO CCO[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001465741303 1067825298 /nfs/dbraw/zinc/82/52/98/1067825298.db2.gz BLXGSSRNUDWHMA-IEBWSBKVSA-N 1 2 466.583 1.609 20 0 JDADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)C2=O ZINC001465781969 1067829804 /nfs/dbraw/zinc/82/98/04/1067829804.db2.gz LKWUSEDPADPNNS-ZMPRRUGASA-N 1 2 451.568 1.154 20 0 JDADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)C2=O ZINC001465781969 1067829807 /nfs/dbraw/zinc/82/98/07/1067829807.db2.gz LKWUSEDPADPNNS-ZMPRRUGASA-N 1 2 451.568 1.154 20 0 JDADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)C2=O ZINC001465781968 1067829883 /nfs/dbraw/zinc/82/98/83/1067829883.db2.gz LKWUSEDPADPNNS-XCGNWRKASA-N 1 2 451.568 1.154 20 0 JDADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)C2=O ZINC001465781968 1067829884 /nfs/dbraw/zinc/82/98/84/1067829884.db2.gz LKWUSEDPADPNNS-XCGNWRKASA-N 1 2 451.568 1.154 20 0 JDADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001465852374 1067836319 /nfs/dbraw/zinc/83/63/19/1067836319.db2.gz DQDKGPFZKKPNQK-CTNGQTDRSA-N 1 2 451.589 1.098 20 0 JDADLO CCOC(=O)c1cnn(-c2ccc(C(=O)N3CC[C@H](OCC[NH+]4CCOCC4)C3)cc2)c1C ZINC001465852665 1067836561 /nfs/dbraw/zinc/83/65/61/1067836561.db2.gz KLLYIOBFIIKUJO-NRFANRHFSA-N 1 2 456.543 1.921 20 0 JDADLO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC001465852786 1067836566 /nfs/dbraw/zinc/83/65/66/1067836566.db2.gz OFCHFHANQBMELT-LJQANCHMSA-N 1 2 453.605 1.589 20 0 JDADLO O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001465852456 1067836595 /nfs/dbraw/zinc/83/65/95/1067836595.db2.gz GDDFCWFRKQITBO-MSOLQXFVSA-N 1 2 457.618 1.241 20 0 JDADLO COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCO1 ZINC001465871865 1067838390 /nfs/dbraw/zinc/83/83/90/1067838390.db2.gz RPPNPHVVFNLLFN-JOCHJYFZSA-N 1 2 450.536 1.818 20 0 JDADLO C[C@H]1CCN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC001465919381 1067843214 /nfs/dbraw/zinc/84/32/14/1067843214.db2.gz NPGSNPUWVHDNHV-KSSFIOAISA-N 1 2 453.503 1.491 20 0 JDADLO CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C1=O ZINC001465920189 1067843559 /nfs/dbraw/zinc/84/35/59/1067843559.db2.gz IBYDHGCYQAGJBA-LJQANCHMSA-N 1 2 450.499 1.488 20 0 JDADLO CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C1=O ZINC001465920189 1067843562 /nfs/dbraw/zinc/84/35/62/1067843562.db2.gz IBYDHGCYQAGJBA-LJQANCHMSA-N 1 2 450.499 1.488 20 0 JDADLO Cc1cc(F)c(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(I)c1 ZINC001465992266 1067849663 /nfs/dbraw/zinc/84/96/63/1067849663.db2.gz QSAMUDQGKSOFQI-GFCCVEGCSA-N 1 2 451.280 1.896 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nc(-c2ccccc2)no1 ZINC001466089695 1067858685 /nfs/dbraw/zinc/85/86/85/1067858685.db2.gz PAVAQDUIEZKCKF-UHFFFAOYSA-N 1 2 457.516 1.405 20 0 JDADLO CC[C@H](CO)[NH+]1CCN(C(=O)c2cnc3ccc(I)cc3c2O)CC1 ZINC001466192874 1067869290 /nfs/dbraw/zinc/86/92/90/1067869290.db2.gz KFITYFCJQYMOKI-CYBMUJFWSA-N 1 2 455.296 1.661 20 0 JDADLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cnc3ccc(I)cc3c2O)CC1 ZINC001466192875 1067869324 /nfs/dbraw/zinc/86/93/24/1067869324.db2.gz KFITYFCJQYMOKI-ZDUSSCGKSA-N 1 2 455.296 1.661 20 0 JDADLO Cc1c(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cccc1N1CCNC1=O ZINC001466348581 1067880622 /nfs/dbraw/zinc/88/06/22/1067880622.db2.gz VXYVGDLCAFOFNW-UHFFFAOYSA-N 1 2 451.531 1.780 20 0 JDADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001466482362 1067887917 /nfs/dbraw/zinc/88/79/17/1067887917.db2.gz AVZCLUFQFAERHQ-UHFFFAOYSA-N 1 2 455.577 1.691 20 0 JDADLO COCCNC(=O)c1cccc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001466506650 1067890339 /nfs/dbraw/zinc/89/03/39/1067890339.db2.gz FQOGJHFKBROFOX-UHFFFAOYSA-N 1 2 454.531 1.318 20 0 JDADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CNS(=O)(=O)c2ccccc2F)c2ccc(Cl)cc2)C1 ZINC001466561294 1067892739 /nfs/dbraw/zinc/89/27/39/1067892739.db2.gz BYEMFCPTVHLNJZ-YLJYHZDGSA-N 1 2 455.939 1.946 20 0 JDADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CNS(=O)(=O)c2ccccc2F)c2ccc(Cl)cc2)C1 ZINC001466561294 1067892740 /nfs/dbraw/zinc/89/27/40/1067892740.db2.gz BYEMFCPTVHLNJZ-YLJYHZDGSA-N 1 2 455.939 1.946 20 0 JDADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc(N4CCNC(=O)C4)ccn3)[nH+]c12 ZINC001466759524 1067916664 /nfs/dbraw/zinc/91/66/64/1067916664.db2.gz SFTGFKWHNJEUMI-UHFFFAOYSA-N 1 2 457.332 1.709 20 0 JDADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001466791805 1067921832 /nfs/dbraw/zinc/92/18/32/1067921832.db2.gz AAEXROUOHMQVMR-OALUTQOASA-N 1 2 452.596 1.415 20 0 JDADLO CCOC(=O)c1ccc(N2CC(NC(=O)[C@H](C)[NH+]3CCN(c4ccc(F)cc4)CC3)C2)nc1 ZINC001466805520 1067924264 /nfs/dbraw/zinc/92/42/64/1067924264.db2.gz LWFXPXPNRUEAFP-KRWDZBQOSA-N 1 2 455.534 1.913 20 0 JDADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CNS(=O)(=O)c3cc(C)ccc3C)c2)CC1 ZINC001466951943 1067953699 /nfs/dbraw/zinc/95/36/99/1067953699.db2.gz LIECLZTZZHBMED-UHFFFAOYSA-N 1 2 458.584 1.885 20 0 JDADLO O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001466971043 1067957567 /nfs/dbraw/zinc/95/75/67/1067957567.db2.gz WJGSBFJGTIASLS-CVEARBPZSA-N 1 2 458.485 1.645 20 0 JDADLO O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001466971043 1067957595 /nfs/dbraw/zinc/95/75/95/1067957595.db2.gz WJGSBFJGTIASLS-CVEARBPZSA-N 1 2 458.485 1.645 20 0 JDADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1c(F)cncc1F ZINC001467646489 1068043212 /nfs/dbraw/zinc/04/32/12/1068043212.db2.gz HPXUDLXRXDEMBC-AWEZNQCLSA-N 1 2 454.503 1.267 20 0 JDADLO Cc1cccc2c1C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CO2 ZINC001467646965 1068043743 /nfs/dbraw/zinc/04/37/43/1068043743.db2.gz NKOYRKNVHHNLIR-SFHVURJKSA-N 1 2 459.572 1.145 20 0 JDADLO COc1ccc(F)c(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001467646820 1068043824 /nfs/dbraw/zinc/04/38/24/1068043824.db2.gz LUASUVFBYQPNGZ-UHFFFAOYSA-N 1 2 451.524 1.181 20 0 JDADLO Cc1cccc2c1C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CO2 ZINC001467646961 1068043897 /nfs/dbraw/zinc/04/38/97/1068043897.db2.gz NKOYRKNVHHNLIR-GOSISDBHSA-N 1 2 459.572 1.145 20 0 JDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H]1C1CCOCC1 ZINC001467647750 1068044823 /nfs/dbraw/zinc/04/48/23/1068044823.db2.gz WQHNXWXFOQHNHS-LJQANCHMSA-N 1 2 451.593 1.134 20 0 JDADLO C[C@](CO)(NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC001467647708 1068044936 /nfs/dbraw/zinc/04/49/36/1068044936.db2.gz VVWCZEATBGSEGB-OAQYLSRUSA-N 1 2 453.609 1.164 20 0 JDADLO Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC001467650341 1068045468 /nfs/dbraw/zinc/04/54/68/1068045468.db2.gz HIXSCVYOMBUAPQ-HXUWFJFHSA-N 1 2 459.978 1.783 20 0 JDADLO CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001467668962 1068049373 /nfs/dbraw/zinc/04/93/73/1068049373.db2.gz WBFPEOHWOMDZSB-WHUARKNTSA-N 1 2 458.588 1.059 20 0 JDADLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001467670399 1068049509 /nfs/dbraw/zinc/04/95/09/1068049509.db2.gz UEMMZYZARDGMFB-NVXWUHKLSA-N 1 2 455.386 1.869 20 0 JDADLO O=C(N[C@@H]1CSc2ccc(Br)cc21)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001467736666 1068058998 /nfs/dbraw/zinc/05/89/98/1068058998.db2.gz XJIDUUOQNPPTCC-XJKSGUPXSA-N 1 2 454.390 1.893 20 0 JDADLO O=C(N[C@@H]1CSc2ccc(Br)cc21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001467736215 1068059350 /nfs/dbraw/zinc/05/93/50/1068059350.db2.gz XJIDUUOQNPPTCC-CZUORRHYSA-N 1 2 454.390 1.893 20 0 JDADLO CC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC001467811420 1068068225 /nfs/dbraw/zinc/06/82/25/1068068225.db2.gz HXQVJXVTANMTBX-HXUWFJFHSA-N 1 2 453.547 1.740 20 0 JDADLO CC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC001467811420 1068068240 /nfs/dbraw/zinc/06/82/40/1068068240.db2.gz HXQVJXVTANMTBX-HXUWFJFHSA-N 1 2 453.547 1.740 20 0 JDADLO COc1ccc(CN2CC[C@H](NC(=O)[C@@]3([NH+](C)C)COc4ccccc4C3)C2=O)c(OC)c1 ZINC001467852537 1068076673 /nfs/dbraw/zinc/07/66/73/1068076673.db2.gz UEZHIBCTTSTRLL-CPJSRVTESA-N 1 2 453.539 1.856 20 0 JDADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(N3CCCS3(=O)=O)cc1Cl)C2 ZINC001467890287 1068084785 /nfs/dbraw/zinc/08/47/85/1068084785.db2.gz FXGAFRNESJTJAW-AWEZNQCLSA-N 1 2 452.964 1.664 20 0 JDADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(N3CCCS3(=O)=O)cc1Cl)C2 ZINC001467890289 1068084818 /nfs/dbraw/zinc/08/48/18/1068084818.db2.gz FXGAFRNESJTJAW-CQSZACIVSA-N 1 2 452.964 1.664 20 0 JDADLO CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001467894320 1068085966 /nfs/dbraw/zinc/08/59/66/1068085966.db2.gz GVSRRHGKFRYBCO-WDSOQIARSA-N 1 2 453.609 1.242 20 0 JDADLO CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001467894320 1068085983 /nfs/dbraw/zinc/08/59/83/1068085983.db2.gz GVSRRHGKFRYBCO-WDSOQIARSA-N 1 2 453.609 1.242 20 0 JDADLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001467894319 1068086267 /nfs/dbraw/zinc/08/62/67/1068086267.db2.gz GVSRRHGKFRYBCO-UHOSZYNNSA-N 1 2 453.609 1.242 20 0 JDADLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001467894319 1068086281 /nfs/dbraw/zinc/08/62/81/1068086281.db2.gz GVSRRHGKFRYBCO-UHOSZYNNSA-N 1 2 453.609 1.242 20 0 JDADLO Cc1ccc([C@H](C)[C@H](O)C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467900923 1068088007 /nfs/dbraw/zinc/08/80/07/1068088007.db2.gz KYKXTUOYNNAYNI-YYDVJCTNSA-N 1 2 453.587 1.422 20 0 JDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cnccc2C(F)(F)F)CC3)CC1 ZINC001467900918 1068088136 /nfs/dbraw/zinc/08/81/36/1068088136.db2.gz KSOIHWAOZSPUAM-CQSZACIVSA-N 1 2 450.465 1.677 20 0 JDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2scnc2C(F)(F)F)CC3)CC1 ZINC001467901120 1068088436 /nfs/dbraw/zinc/08/84/36/1068088436.db2.gz MVMHWZQMARBNCQ-GFCCVEGCSA-N 1 2 456.494 1.738 20 0 JDADLO CCOc1ccc(CCC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467901732 1068089004 /nfs/dbraw/zinc/08/90/04/1068089004.db2.gz WABGFJFVKIRUOG-HXUWFJFHSA-N 1 2 453.587 1.981 20 0 JDADLO COc1ccc(C(C)(C)C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467901421 1068089286 /nfs/dbraw/zinc/08/92/86/1068089286.db2.gz PPUYFYLKQCZQEP-GOSISDBHSA-N 1 2 453.587 1.936 20 0 JDADLO CC(=O)Nc1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC001467910213 1068092263 /nfs/dbraw/zinc/09/22/63/1068092263.db2.gz CCLJZQPJMWOJLL-HXUWFJFHSA-N 1 2 453.547 1.740 20 0 JDADLO CC(=O)Nc1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC001467910213 1068092284 /nfs/dbraw/zinc/09/22/84/1068092284.db2.gz CCLJZQPJMWOJLL-HXUWFJFHSA-N 1 2 453.547 1.740 20 0 JDADLO CC(=O)Nc1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC001467910212 1068092461 /nfs/dbraw/zinc/09/24/61/1068092461.db2.gz CCLJZQPJMWOJLL-FQEVSTJZSA-N 1 2 453.547 1.740 20 0 JDADLO CC(=O)Nc1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC001467910212 1068092475 /nfs/dbraw/zinc/09/24/75/1068092475.db2.gz CCLJZQPJMWOJLL-FQEVSTJZSA-N 1 2 453.547 1.740 20 0 JDADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 ZINC001467928402 1068095421 /nfs/dbraw/zinc/09/54/21/1068095421.db2.gz ACPFRUJUMBGRTN-AEFFLSMTSA-N 1 2 458.563 1.732 20 0 JDADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001467929122 1068095941 /nfs/dbraw/zinc/09/59/41/1068095941.db2.gz GFMZQZIYSIMHMO-KGLIPLIRSA-N 1 2 451.467 1.185 20 0 JDADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001467940568 1068098693 /nfs/dbraw/zinc/09/86/93/1068098693.db2.gz ROPBHWDIONRAHU-UHFFFAOYSA-N 1 2 452.577 1.724 20 0 JDADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1 ZINC001468185117 1068199261 /nfs/dbraw/zinc/19/92/61/1068199261.db2.gz FHGZTGHHVWIJLL-GHTZIAJQSA-N 1 2 459.616 1.771 20 0 JDADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC001468185117 1068199293 /nfs/dbraw/zinc/19/92/93/1068199293.db2.gz FHGZTGHHVWIJLL-GHTZIAJQSA-N 1 2 459.616 1.771 20 0 JDADLO Cn1ccnc1C(NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)c1nccn1C ZINC001468285800 1068223233 /nfs/dbraw/zinc/22/32/33/1068223233.db2.gz GGLCMMGYJCEXJU-UHFFFAOYSA-N 1 2 453.547 1.453 20 0 JDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC001468286133 1068225135 /nfs/dbraw/zinc/22/51/35/1068225135.db2.gz IKBNSDPSXKBFEO-SFHVURJKSA-N 1 2 458.481 1.750 20 0 JDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC001468286131 1068225315 /nfs/dbraw/zinc/22/53/15/1068225315.db2.gz IKBNSDPSXKBFEO-GOSISDBHSA-N 1 2 458.481 1.750 20 0 JDADLO Cc1cc(N2CCC[C@@H](NC(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)C2)n(C)n1 ZINC001468286766 1068225460 /nfs/dbraw/zinc/22/54/60/1068225460.db2.gz ONHBYBSQPUHUPZ-OAQYLSRUSA-N 1 2 456.591 1.908 20 0 JDADLO O=C(CCNC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468364005 1068256520 /nfs/dbraw/zinc/25/65/20/1068256520.db2.gz VYQIYXRIUPSPSW-HXUWFJFHSA-N 1 2 450.543 1.393 20 0 JDADLO NC(=O)c1cccc(CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC001468363778 1068257820 /nfs/dbraw/zinc/25/78/20/1068257820.db2.gz RGJHDAJNEOPYEZ-UHFFFAOYSA-N 1 2 450.543 1.593 20 0 JDADLO CCn1cc(CN(C)C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)cn1 ZINC001468549905 1068311772 /nfs/dbraw/zinc/31/17/72/1068311772.db2.gz WFIRZINVMPESBI-UHFFFAOYSA-N 1 2 456.591 1.830 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCO[C@](C)(C4CC4)C3)cc2)CC1 ZINC001468549851 1068311926 /nfs/dbraw/zinc/31/19/26/1068311926.db2.gz URVYYEOVOINJNZ-VWLOTQADSA-N 1 2 458.603 1.983 20 0 JDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)cc2)CC1 ZINC001468549121 1068312178 /nfs/dbraw/zinc/31/21/78/1068312178.db2.gz MDABOLRIWNIHCV-ZDXQCDESSA-N 1 2 456.587 1.662 20 0 JDADLO CCC[C@H](NC(=O)N1CC[NH+](CCOCCOC)CC1)C(=O)N1CCc2sccc2C1 ZINC001468570177 1068315727 /nfs/dbraw/zinc/31/57/27/1068315727.db2.gz FTUDLNWMCWACLS-IBGZPJMESA-N 1 2 452.621 1.792 20 0 JDADLO COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC001468603161 1068322018 /nfs/dbraw/zinc/32/20/18/1068322018.db2.gz HBWJLTYKMCMASF-LJQANCHMSA-N 1 2 452.983 1.992 20 0 JDADLO COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC001468603161 1068322027 /nfs/dbraw/zinc/32/20/27/1068322027.db2.gz HBWJLTYKMCMASF-LJQANCHMSA-N 1 2 452.983 1.992 20 0 JDADLO Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC001468608013 1068323677 /nfs/dbraw/zinc/32/36/77/1068323677.db2.gz ONTVMOIIHXINMW-UHFFFAOYSA-N 1 2 457.552 1.699 20 0 JDADLO Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC001468608013 1068323685 /nfs/dbraw/zinc/32/36/85/1068323685.db2.gz ONTVMOIIHXINMW-UHFFFAOYSA-N 1 2 457.552 1.699 20 0 JDADLO COc1ccc([C@@H](O)C2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)cc1 ZINC001468636124 1068330117 /nfs/dbraw/zinc/33/01/17/1068330117.db2.gz LDYMZMOPBOSRFW-OAQYLSRUSA-N 1 2 453.605 1.659 20 0 JDADLO CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001468636111 1068330139 /nfs/dbraw/zinc/33/01/39/1068330139.db2.gz KSEFCKAFEOZYRQ-OAHLLOKOSA-N 1 2 458.654 1.546 20 0 JDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC001468636220 1068330182 /nfs/dbraw/zinc/33/01/82/1068330182.db2.gz MWIYCAZYUJNBLC-QZTJIDSGSA-N 1 2 474.421 1.775 20 0 JDADLO COC(=O)c1cc(Br)c2c(c1)CN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)CCO2 ZINC001468648044 1068332575 /nfs/dbraw/zinc/33/25/75/1068332575.db2.gz VROQQYRPAVYROC-CYBMUJFWSA-N 1 2 456.337 1.860 20 0 JDADLO COC(=O)c1cc(Br)c2c(c1)CN(C(=O)NCC[N@H+]1CCOC[C@H]1C)CCO2 ZINC001468648044 1068332591 /nfs/dbraw/zinc/33/25/91/1068332591.db2.gz VROQQYRPAVYROC-CYBMUJFWSA-N 1 2 456.337 1.860 20 0 JDADLO C[S@](=O)c1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC001468663095 1068338820 /nfs/dbraw/zinc/33/88/20/1068338820.db2.gz CPVZQDDLWNRDFU-CVCYQNGTSA-N 1 2 458.588 1.519 20 0 JDADLO C[S@](=O)c1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC001468663095 1068338839 /nfs/dbraw/zinc/33/88/39/1068338839.db2.gz CPVZQDDLWNRDFU-CVCYQNGTSA-N 1 2 458.588 1.519 20 0 JDADLO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[C@](C)(C(F)F)O1 ZINC001468663388 1068338972 /nfs/dbraw/zinc/33/89/72/1068338972.db2.gz GDXNVEDTMAKCJV-WHSLLNHNSA-N 1 2 454.522 1.736 20 0 JDADLO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[C@](C)(C(F)F)O1 ZINC001468663388 1068339003 /nfs/dbraw/zinc/33/90/03/1068339003.db2.gz GDXNVEDTMAKCJV-WHSLLNHNSA-N 1 2 454.522 1.736 20 0 JDADLO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[C@](C)(C(F)F)O1 ZINC001468663387 1068339088 /nfs/dbraw/zinc/33/90/88/1068339088.db2.gz GDXNVEDTMAKCJV-VWKPWSFCSA-N 1 2 454.522 1.736 20 0 JDADLO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[C@](C)(C(F)F)O1 ZINC001468663387 1068339102 /nfs/dbraw/zinc/33/91/02/1068339102.db2.gz GDXNVEDTMAKCJV-VWKPWSFCSA-N 1 2 454.522 1.736 20 0 JDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001468664389 1068340031 /nfs/dbraw/zinc/34/00/31/1068340031.db2.gz ZZILARFQSWQSDT-HNAYVOBHSA-N 1 2 458.485 1.238 20 0 JDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001468664389 1068340044 /nfs/dbraw/zinc/34/00/44/1068340044.db2.gz ZZILARFQSWQSDT-HNAYVOBHSA-N 1 2 458.485 1.238 20 0 JDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCCN(CC(F)F)CC1 ZINC001468663851 1068340145 /nfs/dbraw/zinc/34/01/45/1068340145.db2.gz QJASBZVQEBTGBQ-KRWDZBQOSA-N 1 2 453.538 1.264 20 0 JDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCCN(CC(F)F)CC1 ZINC001468663851 1068340169 /nfs/dbraw/zinc/34/01/69/1068340169.db2.gz QJASBZVQEBTGBQ-KRWDZBQOSA-N 1 2 453.538 1.264 20 0 JDADLO CCc1c(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)nnn1Cc1ccc(F)cc1 ZINC001468706844 1068350353 /nfs/dbraw/zinc/35/03/53/1068350353.db2.gz LBGKJSHVUUETDD-FQEVSTJZSA-N 1 2 458.538 1.680 20 0 JDADLO O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001468715477 1068353576 /nfs/dbraw/zinc/35/35/76/1068353576.db2.gz CEPJSHRUYMFXKW-ICSRJNTNSA-N 1 2 450.580 1.217 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)cc1 ZINC001468717750 1068354314 /nfs/dbraw/zinc/35/43/14/1068354314.db2.gz IYRHLEDYNDGKTF-LEWJYISDSA-N 1 2 451.571 1.873 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)cc1 ZINC001468717750 1068354331 /nfs/dbraw/zinc/35/43/31/1068354331.db2.gz IYRHLEDYNDGKTF-LEWJYISDSA-N 1 2 451.571 1.873 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)cc1 ZINC001468717753 1068354578 /nfs/dbraw/zinc/35/45/78/1068354578.db2.gz IYRHLEDYNDGKTF-NHCUHLMSSA-N 1 2 451.571 1.873 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)cc1 ZINC001468717753 1068354584 /nfs/dbraw/zinc/35/45/84/1068354584.db2.gz IYRHLEDYNDGKTF-NHCUHLMSSA-N 1 2 451.571 1.873 20 0 JDADLO COC(=O)c1ccc(OCCNC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001468727812 1068356635 /nfs/dbraw/zinc/35/66/35/1068356635.db2.gz JJQASDVGBIHAGR-QGZVFWFLSA-N 1 2 450.536 1.702 20 0 JDADLO COC(=O)c1ccc(OCCNC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001468727812 1068356651 /nfs/dbraw/zinc/35/66/51/1068356651.db2.gz JJQASDVGBIHAGR-QGZVFWFLSA-N 1 2 450.536 1.702 20 0 JDADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001468904506 1068391240 /nfs/dbraw/zinc/39/12/40/1068391240.db2.gz NUHBIAYCMAVWJN-VGSWGCGISA-N 1 2 451.514 1.418 20 0 JDADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001468940620 1068398184 /nfs/dbraw/zinc/39/81/84/1068398184.db2.gz WAZXTASVCNEXNA-GHTZIAJQSA-N 1 2 450.605 1.485 20 0 JDADLO COc1ccc(-c2nnc(CNC(=O)N[C@H](C)C[NH+]3CCN(c4ccccn4)CC3)[nH]2)cc1 ZINC001468943375 1068398463 /nfs/dbraw/zinc/39/84/63/1068398463.db2.gz WQVOHOGIGYUDLH-QGZVFWFLSA-N 1 2 450.547 1.885 20 0 JDADLO COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](C)C[NH+]3CCN(c4ccccn4)CC3)n2)cc1 ZINC001468943375 1068398478 /nfs/dbraw/zinc/39/84/78/1068398478.db2.gz WQVOHOGIGYUDLH-QGZVFWFLSA-N 1 2 450.547 1.885 20 0 JDADLO COCC(COC)[NH+]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC001468984382 1068413960 /nfs/dbraw/zinc/41/39/60/1068413960.db2.gz HDOCWBSPLXIBIN-MRXNPFEDSA-N 1 2 451.568 1.553 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC001469137338 1068449679 /nfs/dbraw/zinc/44/96/79/1068449679.db2.gz VBXKXSGVFFIXTB-VWLOTQADSA-N 1 2 458.603 1.383 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC001469137338 1068449704 /nfs/dbraw/zinc/44/97/04/1068449704.db2.gz VBXKXSGVFFIXTB-VWLOTQADSA-N 1 2 458.603 1.383 20 0 JDADLO CCNS(=O)(=O)c1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)cc1 ZINC001469278094 1068484416 /nfs/dbraw/zinc/48/44/16/1068484416.db2.gz UKDITSXFLTWJFH-UHFFFAOYSA-N 1 2 454.593 1.054 20 0 JDADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC001469333027 1068494443 /nfs/dbraw/zinc/49/44/43/1068494443.db2.gz IAZMDFKUFMUCEM-MRXNPFEDSA-N 1 2 451.549 1.558 20 0 JDADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)CC2)o1 ZINC001469345696 1068500059 /nfs/dbraw/zinc/50/00/59/1068500059.db2.gz MTCFCLNCNAEVRH-OAHLLOKOSA-N 1 2 450.517 1.185 20 0 JDADLO CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001469346626 1068500276 /nfs/dbraw/zinc/50/02/76/1068500276.db2.gz SHFDFAXVETVSRX-DNVCBOLYSA-N 1 2 452.602 1.813 20 0 JDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC001469468702 1068526865 /nfs/dbraw/zinc/52/68/65/1068526865.db2.gz UESXXRLIRRUUIV-UHFFFAOYSA-N 1 2 452.602 1.871 20 0 JDADLO CCC(C)(C)c1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001469476717 1068528458 /nfs/dbraw/zinc/52/84/58/1068528458.db2.gz JJEWFXRDSDPKPU-UHFFFAOYSA-N 1 2 451.637 1.694 20 0 JDADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)cc1 ZINC001469546364 1068544169 /nfs/dbraw/zinc/54/41/69/1068544169.db2.gz RBENOGZTULUECY-UGKGYDQZSA-N 1 2 451.589 1.649 20 0 JDADLO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC001469633329 1068558334 /nfs/dbraw/zinc/55/83/34/1068558334.db2.gz SBFLULFOJUALLS-YSIASYRMSA-N 1 2 463.962 1.236 20 0 JDADLO COCCOCC[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001469674384 1068565734 /nfs/dbraw/zinc/56/57/34/1068565734.db2.gz OORZZOQGIJGMFC-KRWDZBQOSA-N 1 2 451.568 1.555 20 0 JDADLO COC(=O)[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccc(F)cc2O1 ZINC001469714939 1068571968 /nfs/dbraw/zinc/57/19/68/1068571968.db2.gz BFMCEGDBLOIJCQ-IBGZPJMESA-N 1 2 456.474 1.617 20 0 JDADLO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001469879415 1068612428 /nfs/dbraw/zinc/61/24/28/1068612428.db2.gz AMIGSYNCVGVFAM-NNKXVCLQSA-N 1 2 453.630 1.632 20 0 JDADLO C[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001469955493 1068645034 /nfs/dbraw/zinc/64/50/34/1068645034.db2.gz BJZSLOLLZASHTO-CZUORRHYSA-N 1 2 456.328 1.786 20 0 JDADLO C[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001469955493 1068645065 /nfs/dbraw/zinc/64/50/65/1068645065.db2.gz BJZSLOLLZASHTO-CZUORRHYSA-N 1 2 456.328 1.786 20 0 JDADLO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@H+]3C[C@@H](C)OC[C@H]3C)CC2)cc1 ZINC001470001345 1068662749 /nfs/dbraw/zinc/66/27/49/1068662749.db2.gz BEDOFFQZKHXPGE-IAGOWNOFSA-N 1 2 451.589 1.515 20 0 JDADLO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@@H+]3C[C@@H](C)OC[C@H]3C)CC2)cc1 ZINC001470001345 1068662770 /nfs/dbraw/zinc/66/27/70/1068662770.db2.gz BEDOFFQZKHXPGE-IAGOWNOFSA-N 1 2 451.589 1.515 20 0 JDADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@@H+]3C[C@H](C)OC[C@@H]3C)CC2)cc1 ZINC001470002848 1068662986 /nfs/dbraw/zinc/66/29/86/1068662986.db2.gz SIPKDAAURVJKHT-ROUUACIJSA-N 1 2 453.605 1.711 20 0 JDADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@H+]3C[C@H](C)OC[C@@H]3C)CC2)cc1 ZINC001470002848 1068663007 /nfs/dbraw/zinc/66/30/07/1068663007.db2.gz SIPKDAAURVJKHT-ROUUACIJSA-N 1 2 453.605 1.711 20 0 JDADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@@H+]3C[C@@H](C)OC[C@H]3C)CC2)cc1 ZINC001470002847 1068663094 /nfs/dbraw/zinc/66/30/94/1068663094.db2.gz SIPKDAAURVJKHT-QZTJIDSGSA-N 1 2 453.605 1.711 20 0 JDADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@H+]3C[C@@H](C)OC[C@H]3C)CC2)cc1 ZINC001470002847 1068663126 /nfs/dbraw/zinc/66/31/26/1068663126.db2.gz SIPKDAAURVJKHT-QZTJIDSGSA-N 1 2 453.605 1.711 20 0 JDADLO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@H+]3C[C@H](C)OC[C@H]3C)CC2)cc1 ZINC001470001347 1068663310 /nfs/dbraw/zinc/66/33/10/1068663310.db2.gz BEDOFFQZKHXPGE-SJORKVTESA-N 1 2 451.589 1.515 20 0 JDADLO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@@H+]3C[C@H](C)OC[C@H]3C)CC2)cc1 ZINC001470001347 1068663328 /nfs/dbraw/zinc/66/33/28/1068663328.db2.gz BEDOFFQZKHXPGE-SJORKVTESA-N 1 2 451.589 1.515 20 0 JDADLO O=C(NCc1c(F)cc(F)c(F)c1F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001470037132 1068675042 /nfs/dbraw/zinc/67/50/42/1068675042.db2.gz IFKFWTKNDUAHAU-UHFFFAOYSA-N 1 2 454.428 1.901 20 0 JDADLO O=C(NCc1c(F)cc(F)c(F)c1F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001470037132 1068675058 /nfs/dbraw/zinc/67/50/58/1068675058.db2.gz IFKFWTKNDUAHAU-UHFFFAOYSA-N 1 2 454.428 1.901 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001470224763 1068725866 /nfs/dbraw/zinc/72/58/66/1068725866.db2.gz DHHAPFIUNLNJTD-WSLHLDTKSA-N 1 2 450.539 1.585 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001470224763 1068725877 /nfs/dbraw/zinc/72/58/77/1068725877.db2.gz DHHAPFIUNLNJTD-WSLHLDTKSA-N 1 2 450.539 1.585 20 0 JDADLO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001470225518 1068727307 /nfs/dbraw/zinc/72/73/07/1068727307.db2.gz LOKLEVVADNILFK-RUZDIDTESA-N 1 2 458.603 1.682 20 0 JDADLO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001470225518 1068727333 /nfs/dbraw/zinc/72/73/33/1068727333.db2.gz LOKLEVVADNILFK-RUZDIDTESA-N 1 2 458.603 1.682 20 0 JDADLO C[N@@H+]1CCN(C(=O)NCCc2cnc3c(Cl)cnn3c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001470284022 1068739811 /nfs/dbraw/zinc/73/98/11/1068739811.db2.gz RYRKJKMOBPKPMX-HNNXBMFYSA-N 1 2 451.959 1.776 20 0 JDADLO C[N@H+]1CCN(C(=O)NCCc2cnc3c(Cl)cnn3c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001470284022 1068739822 /nfs/dbraw/zinc/73/98/22/1068739822.db2.gz RYRKJKMOBPKPMX-HNNXBMFYSA-N 1 2 451.959 1.776 20 0 JDADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1cccnc1-n1cc(Br)cn1 ZINC001470327489 1068745701 /nfs/dbraw/zinc/74/57/01/1068745701.db2.gz MPRSQJWFWRFGTM-UHFFFAOYSA-N 1 2 457.336 1.372 20 0 JDADLO NC(=O)C1CCN(C(=O)C2CCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)CC1 ZINC001470418711 1068759602 /nfs/dbraw/zinc/75/96/02/1068759602.db2.gz KLLCYACEYZBUOT-UHFFFAOYSA-N 1 2 452.559 1.577 20 0 JDADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1C ZINC001470531892 1068777710 /nfs/dbraw/zinc/77/77/10/1068777710.db2.gz PGLIHHBXIDXDPN-JOCHJYFZSA-N 1 2 458.628 1.856 20 0 JDADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1C ZINC001470531892 1068777730 /nfs/dbraw/zinc/77/77/30/1068777730.db2.gz PGLIHHBXIDXDPN-JOCHJYFZSA-N 1 2 458.628 1.856 20 0 JDADLO O=C(c1sccc1S(=O)(=O)N1CCC(CO)CC1)N1CC[NH+](CCCCCO)CC1 ZINC001470695561 1068803338 /nfs/dbraw/zinc/80/33/38/1068803338.db2.gz VSQXYIDYZFEIAZ-UHFFFAOYSA-N 1 2 459.634 1.062 20 0 JDADLO COCCN1C(=O)c2ccc(C(=O)N3CC[NH2+][C@@H](c4cccc(OC)c4)C3)cc2S1(=O)=O ZINC001470859315 1068818243 /nfs/dbraw/zinc/81/82/43/1068818243.db2.gz VRRQDEDDVIHWAL-LJQANCHMSA-N 1 2 459.524 1.273 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)C2)cc1 ZINC001470913555 1068822301 /nfs/dbraw/zinc/82/23/01/1068822301.db2.gz FFBHOPMLXJUWKQ-SFHVURJKSA-N 1 2 450.536 1.482 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)C2)cc1 ZINC001470913555 1068822303 /nfs/dbraw/zinc/82/23/03/1068822303.db2.gz FFBHOPMLXJUWKQ-SFHVURJKSA-N 1 2 450.536 1.482 20 0 JDADLO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC001470949149 1068825481 /nfs/dbraw/zinc/82/54/81/1068825481.db2.gz JTFIURUKEGKSIC-SSEXGKCCSA-N 1 2 454.618 1.621 20 0 JDADLO CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c1 ZINC001471062486 1068833040 /nfs/dbraw/zinc/83/30/40/1068833040.db2.gz BHRTYIMDBHSKIT-QGZVFWFLSA-N 1 2 451.976 1.909 20 0 JDADLO CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c1 ZINC001471062486 1068833042 /nfs/dbraw/zinc/83/30/42/1068833042.db2.gz BHRTYIMDBHSKIT-QGZVFWFLSA-N 1 2 451.976 1.909 20 0 JDADLO COc1ccc(C[C@@H](CO)CNC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc1O ZINC001471103311 1068835487 /nfs/dbraw/zinc/83/54/87/1068835487.db2.gz CQXOVJKXEGCATR-QGZVFWFLSA-N 1 2 451.564 1.657 20 0 JDADLO COc1ccc(C[C@H](CO)CNC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc1O ZINC001471103310 1068835659 /nfs/dbraw/zinc/83/56/59/1068835659.db2.gz CQXOVJKXEGCATR-KRWDZBQOSA-N 1 2 451.564 1.657 20 0 JDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)cc1 ZINC001471109522 1068836586 /nfs/dbraw/zinc/83/65/86/1068836586.db2.gz ICMOQJBYFAVTQW-FQEVSTJZSA-N 1 2 452.559 1.222 20 0 JDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)cc1 ZINC001471109522 1068836588 /nfs/dbraw/zinc/83/65/88/1068836588.db2.gz ICMOQJBYFAVTQW-FQEVSTJZSA-N 1 2 452.559 1.222 20 0 JDADLO NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1Br ZINC001471139651 1068838606 /nfs/dbraw/zinc/83/86/06/1068838606.db2.gz HBKRSZSMBZSZLY-UHFFFAOYSA-N 1 2 454.346 1.760 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC001471172812 1068840050 /nfs/dbraw/zinc/84/00/50/1068840050.db2.gz LULBNDXSLINQBH-JLTOFOAXSA-N 1 2 454.365 1.668 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC001471172812 1068840052 /nfs/dbraw/zinc/84/00/52/1068840052.db2.gz LULBNDXSLINQBH-JLTOFOAXSA-N 1 2 454.365 1.668 20 0 JDADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC001471172814 1068840152 /nfs/dbraw/zinc/84/01/52/1068840152.db2.gz LULBNDXSLINQBH-VBKZILBWSA-N 1 2 454.365 1.668 20 0 JDADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC001471172814 1068840154 /nfs/dbraw/zinc/84/01/54/1068840154.db2.gz LULBNDXSLINQBH-VBKZILBWSA-N 1 2 454.365 1.668 20 0 JDADLO O=C(NCc1ccc(CN2CCNC2=O)cc1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001471187439 1068841961 /nfs/dbraw/zinc/84/19/61/1068841961.db2.gz WMBZSXIAXJYVOZ-NRFANRHFSA-N 1 2 452.559 1.859 20 0 JDADLO O=C(NCc1ccc(CN2CCNC2=O)cc1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001471187439 1068841962 /nfs/dbraw/zinc/84/19/62/1068841962.db2.gz WMBZSXIAXJYVOZ-NRFANRHFSA-N 1 2 452.559 1.859 20 0 JDADLO O=C(NC[C@H]1CCC[C@H](C(F)(F)F)O1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001471264288 1068847075 /nfs/dbraw/zinc/84/70/75/1068847075.db2.gz ASAFZQKUYVRZRS-HZPDHXFCSA-N 1 2 458.485 1.645 20 0 JDADLO O=C(NC[C@H]1CCC[C@H](C(F)(F)F)O1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001471264288 1068847081 /nfs/dbraw/zinc/84/70/81/1068847081.db2.gz ASAFZQKUYVRZRS-HZPDHXFCSA-N 1 2 458.485 1.645 20 0 JDADLO C[N@@H+]1CCN(C(=O)NCCc2ccccc2S(C)(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001471301267 1068850595 /nfs/dbraw/zinc/85/05/95/1068850595.db2.gz ZROINTXVGAFTGL-KRWDZBQOSA-N 1 2 454.593 1.483 20 0 JDADLO C[N@H+]1CCN(C(=O)NCCc2ccccc2S(C)(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001471301267 1068850600 /nfs/dbraw/zinc/85/06/00/1068850600.db2.gz ZROINTXVGAFTGL-KRWDZBQOSA-N 1 2 454.593 1.483 20 0 JDADLO COC[C@](C)(O)CNC(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001471322391 1068854199 /nfs/dbraw/zinc/85/41/99/1068854199.db2.gz KWSRWBIVNKZJKO-HSZRJFAPSA-N 1 2 450.580 1.936 20 0 JDADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](CCc4cnccn4)CC3)C2)cc1 ZINC001471409105 1068863343 /nfs/dbraw/zinc/86/33/43/1068863343.db2.gz YHXSPVYKTTVZTJ-HXUWFJFHSA-N 1 2 457.600 1.573 20 0 JDADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001471450346 1068867949 /nfs/dbraw/zinc/86/79/49/1068867949.db2.gz FXDCGMWBKOKTJY-GVDBMIGSSA-N 1 2 471.599 1.471 20 0 JDADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001471450346 1068867952 /nfs/dbraw/zinc/86/79/52/1068867952.db2.gz FXDCGMWBKOKTJY-GVDBMIGSSA-N 1 2 471.599 1.471 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001471647213 1068887255 /nfs/dbraw/zinc/88/72/55/1068887255.db2.gz LMYVHLBMMCHBTD-NSHDSACASA-N 1 2 453.322 1.690 20 0 JDADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001471647213 1068887259 /nfs/dbraw/zinc/88/72/59/1068887259.db2.gz LMYVHLBMMCHBTD-NSHDSACASA-N 1 2 453.322 1.690 20 0 JDADLO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)cc1 ZINC001471646881 1068887373 /nfs/dbraw/zinc/88/73/73/1068887373.db2.gz STYMBSBUHCJUCV-FQEVSTJZSA-N 1 2 455.540 1.712 20 0 JDADLO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)cc1 ZINC001471646881 1068887379 /nfs/dbraw/zinc/88/73/79/1068887379.db2.gz STYMBSBUHCJUCV-FQEVSTJZSA-N 1 2 455.540 1.712 20 0 JDADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC001471722118 1068894849 /nfs/dbraw/zinc/89/48/49/1068894849.db2.gz XXJFNLUIUUVAQK-KRWDZBQOSA-N 1 2 450.584 1.999 20 0 JDADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC001471722118 1068894853 /nfs/dbraw/zinc/89/48/53/1068894853.db2.gz XXJFNLUIUUVAQK-KRWDZBQOSA-N 1 2 450.584 1.999 20 0 JDADLO Cc1ccc2[nH+]c(CSCC(=O)NCC(=O)NCC(=O)N(C)Cc3ccccc3)cn2c1 ZINC001471761048 1068900427 /nfs/dbraw/zinc/90/04/27/1068900427.db2.gz BPQPCBOSUPAXBU-UHFFFAOYSA-N 1 2 453.568 1.767 20 0 JDADLO CN(CC(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1)S(C)(=O)=O ZINC001471801022 1068909706 /nfs/dbraw/zinc/90/97/06/1068909706.db2.gz SFIYSEIREKNXIQ-UHFFFAOYSA-N 1 2 454.593 1.247 20 0 JDADLO 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Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc[nH+]1 ZINC001472332938 1068993447 /nfs/dbraw/zinc/99/34/47/1068993447.db2.gz MOSQXLLIGMPVBD-JIBOQIRGSA-N 1 2 458.563 1.607 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc[nH+]1 ZINC001472332937 1068993831 /nfs/dbraw/zinc/99/38/31/1068993831.db2.gz MOSQXLLIGMPVBD-FBDRMZKKSA-N 1 2 458.563 1.607 20 0 JDADLO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001499367459 1068994456 /nfs/dbraw/zinc/99/44/56/1068994456.db2.gz UGYSBRKEVBRWNB-QRQLOZEOSA-N 1 2 477.635 1.745 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)cc[nH+]1 ZINC001472383513 1069001469 /nfs/dbraw/zinc/00/14/69/1069001469.db2.gz MBXMWUJDMZDQSO-DMPWYTOCSA-N 1 2 465.526 1.446 20 0 JDADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc[nH+]1 ZINC001472383677 1069001823 /nfs/dbraw/zinc/00/18/23/1069001823.db2.gz 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/nfs/dbraw/zinc/00/75/93/1069007593.db2.gz VCNSPBSQFVQUQT-KURKYZTESA-N 1 2 473.665 1.068 20 0 JDADLO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001499470460 1069007609 /nfs/dbraw/zinc/00/76/09/1069007609.db2.gz VCNSPBSQFVQUQT-KURKYZTESA-N 1 2 473.665 1.068 20 0 JDADLO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001499470461 1069007710 /nfs/dbraw/zinc/00/77/10/1069007710.db2.gz VCNSPBSQFVQUQT-KZNAEPCWSA-N 1 2 473.665 1.068 20 0 JDADLO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001499470461 1069007723 /nfs/dbraw/zinc/00/77/23/1069007723.db2.gz VCNSPBSQFVQUQT-KZNAEPCWSA-N 1 2 473.665 1.068 20 0 JDADLO N[C@@](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)(c1cccc(F)c1)C(F)(F)F ZINC001472497210 1069017692 /nfs/dbraw/zinc/01/76/92/1069017692.db2.gz FNVPCRJOIARUOV-HXUWFJFHSA-N 1 2 453.440 1.792 20 0 JDADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@](O)(c3nccn3C)C(F)(F)F)cc2)CC1 ZINC001472537977 1069027019 /nfs/dbraw/zinc/02/70/19/1069027019.db2.gz KKGNASADAOEWBR-FQEVSTJZSA-N 1 2 453.465 1.863 20 0 JDADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)Cn3c4ccccc4c(=O)[nH]c3=O)CC2)C1 ZINC001472575840 1069033257 /nfs/dbraw/zinc/03/32/57/1069033257.db2.gz UOZWHFMEAAOLLD-INIZCTEOSA-N 1 2 457.531 1.256 20 0 JDADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)CC[N@@H+]1CCOC ZINC001499727719 1069058757 /nfs/dbraw/zinc/05/87/57/1069058757.db2.gz HTNHFBNSJYRXBD-DLBZAZTESA-N 1 2 457.666 1.623 20 0 JDADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)CC[N@H+]1CCOC ZINC001499727719 1069058760 /nfs/dbraw/zinc/05/87/60/1069058760.db2.gz HTNHFBNSJYRXBD-DLBZAZTESA-N 1 2 457.666 1.623 20 0 JDADLO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001499750178 1069071306 /nfs/dbraw/zinc/07/13/06/1069071306.db2.gz HMFNVDMZWNCKJX-LJQANCHMSA-N 1 2 453.584 1.600 20 0 JDADLO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001499750178 1069071313 /nfs/dbraw/zinc/07/13/13/1069071313.db2.gz HMFNVDMZWNCKJX-LJQANCHMSA-N 1 2 453.584 1.600 20 0 JDADLO CCCCN(C(=O)C[N@@H+]1CCCN(C(=O)CC)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001473114401 1069074094 /nfs/dbraw/zinc/07/40/94/1069074094.db2.gz AYUSHHSIEKYTLN-UHFFFAOYSA-N 1 2 450.584 1.265 20 0 JDADLO CCCCN(C(=O)C[N@H+]1CCCN(C(=O)CC)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001473114401 1069074103 /nfs/dbraw/zinc/07/41/03/1069074103.db2.gz AYUSHHSIEKYTLN-UHFFFAOYSA-N 1 2 450.584 1.265 20 0 JDADLO COCCCNC(=O)C1CC[NH+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 ZINC001473118901 1069074629 /nfs/dbraw/zinc/07/46/29/1069074629.db2.gz ZSVABQBANWOTFS-UHFFFAOYSA-N 1 2 459.526 1.482 20 0 JDADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1=O ZINC001473143507 1069079611 /nfs/dbraw/zinc/07/96/11/1069079611.db2.gz JKBVJCQFBOMATK-XDHUDOTRSA-N 1 2 457.575 1.748 20 0 JDADLO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCS2(=O)=O)CC[N@@H+]1CCOC ZINC001499775729 1069081247 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QEAJJFHBJSQKIY-LJQANCHMSA-N 1 2 455.607 1.870 20 0 JDADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCC(Nc4cccc[nH+]4)CC3)C2=O)cc1 ZINC001473352211 1069129936 /nfs/dbraw/zinc/12/99/36/1069129936.db2.gz ZWCWUHSRJCRVQX-QHCPKHFHSA-N 1 2 452.515 1.465 20 0 JDADLO CCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001499941384 1069137426 /nfs/dbraw/zinc/13/74/26/1069137426.db2.gz YPGHVCBJSXEYFF-BTYIYWSLSA-N 1 2 465.624 1.463 20 0 JDADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC001473426948 1069146118 /nfs/dbraw/zinc/14/61/18/1069146118.db2.gz NCXWBQYHKCSFRB-AEFFLSMTSA-N 1 2 450.561 1.538 20 0 JDADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC001473426948 1069146127 /nfs/dbraw/zinc/14/61/27/1069146127.db2.gz NCXWBQYHKCSFRB-AEFFLSMTSA-N 1 2 450.561 1.538 20 0 JDADLO CCC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001499961048 1069146771 /nfs/dbraw/zinc/14/67/71/1069146771.db2.gz ORFZHEIUYYRSCT-HTAPYJJXSA-N 1 2 462.620 1.755 20 0 JDADLO CCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001499961222 1069146878 /nfs/dbraw/zinc/14/68/78/1069146878.db2.gz QXRZFSZIXJKSHX-IMSXRSKXSA-N 1 2 464.655 1.564 20 0 JDADLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)NCCc3cnn(-c4ccccc4)c3)CC2)n1 ZINC001473434080 1069147488 /nfs/dbraw/zinc/14/74/88/1069147488.db2.gz KJPJCCDVKBSSHR-UHFFFAOYSA-N 1 2 451.531 1.705 20 0 JDADLO CN(C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1)S(C)(=O)=O ZINC001473462654 1069157318 /nfs/dbraw/zinc/15/73/18/1069157318.db2.gz KRQQOJTVIFXIII-KRWDZBQOSA-N 1 2 450.605 1.901 20 0 JDADLO CN(C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1)S(C)(=O)=O ZINC001473462654 1069157330 /nfs/dbraw/zinc/15/73/30/1069157330.db2.gz KRQQOJTVIFXIII-KRWDZBQOSA-N 1 2 450.605 1.901 20 0 JDADLO CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1 ZINC001473472624 1069160266 /nfs/dbraw/zinc/16/02/66/1069160266.db2.gz ODFINEDZGHNAHE-MSOLQXFVSA-N 1 2 463.522 1.985 20 0 JDADLO C[C@@](O)(C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001473473509 1069160995 /nfs/dbraw/zinc/16/09/95/1069160995.db2.gz VFBSBDUIYKOCAR-WSTZPKSXSA-N 1 2 478.533 1.846 20 0 JDADLO C[C@](O)(C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001473473508 1069161309 /nfs/dbraw/zinc/16/13/09/1069161309.db2.gz VFBSBDUIYKOCAR-HBFSDRIKSA-N 1 2 478.533 1.846 20 0 JDADLO O=C(CN1CCCC[C@H]1C(=O)NCC(F)F)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC001473479084 1069162192 /nfs/dbraw/zinc/16/21/92/1069162192.db2.gz OHOKEKHBXACFSK-IBGZPJMESA-N 1 2 450.530 1.502 20 0 JDADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCCc4c(OCC(N)=O)cccc43)CC2)cc1 ZINC001473490981 1069164397 /nfs/dbraw/zinc/16/43/97/1069164397.db2.gz PPEAVKCROVLKDY-UHFFFAOYSA-N 1 2 452.555 1.656 20 0 JDADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(CO)(c3ccccc3)CC2)C1=O ZINC001473509091 1069171741 /nfs/dbraw/zinc/17/17/41/1069171741.db2.gz 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CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC001474619787 1069248370 /nfs/dbraw/zinc/24/83/70/1069248370.db2.gz IWULQOPHNCPPGP-GJZGRUSLSA-N 1 2 450.351 1.601 20 0 JDADLO O=C(OCc1ccccc1)N1CC(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001474777131 1069253501 /nfs/dbraw/zinc/25/35/01/1069253501.db2.gz HJUMQDRXNMDNAU-UHFFFAOYSA-N 1 2 451.589 1.962 20 0 JDADLO CC1(C)CC(=O)Nc2ccc(S(=O)(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc21 ZINC001474791391 1069256722 /nfs/dbraw/zinc/25/67/22/1069256722.db2.gz HESNXCWZOYSUKK-UHFFFAOYSA-N 1 2 458.588 1.587 20 0 JDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC001474798208 1069259782 /nfs/dbraw/zinc/25/97/82/1069259782.db2.gz SMRFJZDLTSKBDQ-OAHLLOKOSA-N 1 2 457.618 1.436 20 0 JDADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC001474849375 1069285390 /nfs/dbraw/zinc/28/53/90/1069285390.db2.gz KOXJNOFLICBAOU-UHFFFAOYSA-N 1 2 457.549 1.508 20 0 JDADLO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)oc1Cl ZINC001474882412 1069295933 /nfs/dbraw/zinc/29/59/33/1069295933.db2.gz PITFMVMEKWTVOW-UHFFFAOYSA-N 1 2 458.920 1.909 20 0 JDADLO O=C(CCNS(=O)(=O)C1(COCc2ccccc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001474896805 1069299031 /nfs/dbraw/zinc/29/90/31/1069299031.db2.gz IWLAZILOATYWDN-UHFFFAOYSA-N 1 2 458.584 1.789 20 0 JDADLO CSc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)ccn1 ZINC001505201136 1072415731 /nfs/dbraw/zinc/41/57/31/1072415731.db2.gz WPSDNQBCOOPEKE-KRWDZBQOSA-N 1 2 450.634 1.876 20 0 JDADLO CSCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001505250673 1072433240 /nfs/dbraw/zinc/43/32/40/1072433240.db2.gz WAOCKFHUEFNHQT-ZWKOTPCHSA-N 1 2 457.666 1.482 20 0 JDADLO C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1O ZINC001505272664 1072443833 /nfs/dbraw/zinc/44/38/33/1072443833.db2.gz UWPRMFXABSKQOY-QZWWFDLISA-N 1 2 453.634 1.752 20 0 JDADLO CCc1ccccc1OCc1nnc(N2CCC(C(N)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001546293749 1072460088 /nfs/dbraw/zinc/46/00/88/1072460088.db2.gz FZUMGWHDRSVPEA-SFHVURJKSA-N 1 2 456.591 1.842 20 0 JDADLO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CCN1S(C)(=O)=O ZINC001505286178 1072464282 /nfs/dbraw/zinc/46/42/82/1072464282.db2.gz CTHLRSFUKOHWHF-KRWDZBQOSA-N 1 2 487.605 1.987 20 0 JDADLO O=C(Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc[nH+]2)CC1)NCC(F)(F)F ZINC001505346182 1072537465 /nfs/dbraw/zinc/53/74/65/1072537465.db2.gz TUZLSTGJLAJKLW-UHFFFAOYSA-N 1 2 460.464 1.664 20 0 JDADLO O=C(C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(F)(F)Br)CC1)N1CCCC1 ZINC001505347072 1072542131 /nfs/dbraw/zinc/54/21/31/1072542131.db2.gz XRMZEEFHCDLUMA-UHFFFAOYSA-N 1 2 485.337 1.467 20 0 JDADLO O=C1CC[C@H](c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCNc2cccc[nH+]2)N1 ZINC001505354623 1072561829 /nfs/dbraw/zinc/56/18/29/1072561829.db2.gz NPANFTILMADKFE-OAHLLOKOSA-N 1 2 452.485 1.811 20 0 JDADLO O=S1(=O)CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)CC1 ZINC001505369231 1072583430 /nfs/dbraw/zinc/58/34/30/1072583430.db2.gz ULGNFKUMNVQPPZ-UHFFFAOYSA-N 1 2 486.461 1.991 20 0 JDADLO O=S1(=O)CC[C@@H](c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCCOC(F)(F)F)C1 ZINC001505381398 1072589398 /nfs/dbraw/zinc/58/93/98/1072589398.db2.gz PSGNLCDHMDBSTD-OAHLLOKOSA-N 1 2 481.541 1.408 20 0 JDADLO O=S1(=O)CC[C@H](c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCCC(F)(F)F)C1 ZINC001505381166 1072589443 /nfs/dbraw/zinc/58/94/43/1072589443.db2.gz OLLCCAGAHFHQRE-HOTGVXAUSA-N 1 2 465.542 1.681 20 0 JDADLO O=S1(=O)CC[C@H](c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCC(F)(F)F)C1 ZINC001505381165 1072589555 /nfs/dbraw/zinc/58/95/55/1072589555.db2.gz OLLCCAGAHFHQRE-CVEARBPZSA-N 1 2 465.542 1.681 20 0 JDADLO O=S1(=O)CC[C@@H](c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCNc2cccc[nH+]2)C1 ZINC001505381404 1072589591 /nfs/dbraw/zinc/58/95/91/1072589591.db2.gz PUJINANSIQLCKM-OAHLLOKOSA-N 1 2 488.536 1.971 20 0 JDADLO O=S1(=O)CC[C@@H](c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCCOC(F)F)C1 ZINC001505381600 1072591389 /nfs/dbraw/zinc/59/13/89/1072591389.db2.gz UBOUYAVLTDDZRZ-OAHLLOKOSA-N 1 2 456.519 1.531 20 0 JDADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001508194172 1072957464 /nfs/dbraw/zinc/95/74/64/1072957464.db2.gz JGVIOQBAYFNQMF-LPHOPBHVSA-N 1 2 461.636 1.659 20 0 JDADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001508194170 1072957781 /nfs/dbraw/zinc/95/77/81/1072957781.db2.gz JGVIOQBAYFNQMF-APWZRJJASA-N 1 2 461.636 1.659 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001508218038 1072980603 /nfs/dbraw/zinc/98/06/03/1072980603.db2.gz YSKKQQCYOFDSIG-XXBNENTESA-N 1 2 464.611 1.098 20 0 JDADLO CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001508218038 1072980615 /nfs/dbraw/zinc/98/06/15/1072980615.db2.gz YSKKQQCYOFDSIG-XXBNENTESA-N 1 2 464.611 1.098 20 0 JDADLO CC(=O)N1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001508219851 1072983162 /nfs/dbraw/zinc/98/31/62/1072983162.db2.gz GZMNCRGTIDSMFX-UHFFFAOYSA-N 1 2 454.579 1.518 20 0 JDADLO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC4CCCC4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001508231896 1072997766 /nfs/dbraw/zinc/99/77/66/1072997766.db2.gz JQNYGTAOKVZLLB-NQIIRXRSSA-N 1 2 480.679 1.434 20 0 JDADLO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC4CCCC4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001508231896 1072997772 /nfs/dbraw/zinc/99/77/72/1072997772.db2.gz JQNYGTAOKVZLLB-NQIIRXRSSA-N 1 2 480.679 1.434 20 0 JDADLO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCS(=O)(=O)C(C)(C)C)C[C@@H]2C)CC1 ZINC001508232740 1072998488 /nfs/dbraw/zinc/99/84/88/1072998488.db2.gz MYCGRGGJUSTBRU-FXAWDEMLSA-N 1 2 480.679 1.748 20 0 JDADLO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCS(=O)(=O)C(C)(C)C)C[C@@H]2C)CC1 ZINC001508232740 1072998502 /nfs/dbraw/zinc/99/85/02/1072998502.db2.gz MYCGRGGJUSTBRU-FXAWDEMLSA-N 1 2 480.679 1.748 20 0 JDADLO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001508258746 1073027335 /nfs/dbraw/zinc/02/73/35/1073027335.db2.gz HAQJQONJMOVHCM-QGZVFWFLSA-N 1 2 462.982 1.900 20 0 JDADLO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001508258746 1073027344 /nfs/dbraw/zinc/02/73/44/1073027344.db2.gz HAQJQONJMOVHCM-QGZVFWFLSA-N 1 2 462.982 1.900 20 0 JDADLO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001508258741 1073027412 /nfs/dbraw/zinc/02/74/12/1073027412.db2.gz HAQJQONJMOVHCM-KRWDZBQOSA-N 1 2 462.982 1.900 20 0 JDADLO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001508258741 1073027421 /nfs/dbraw/zinc/02/74/21/1073027421.db2.gz HAQJQONJMOVHCM-KRWDZBQOSA-N 1 2 462.982 1.900 20 0 JDADLO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccnc4)n3CC[S@](=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001508271390 1073038312 /nfs/dbraw/zinc/03/83/12/1073038312.db2.gz LVWMPEANRXANIQ-SVRYCMDUSA-N 1 2 487.674 1.876 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3C[C@@H](C)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001508271304 1073038661 /nfs/dbraw/zinc/03/86/61/1073038661.db2.gz CEUUAVIHRGBDQT-SELNLUPBSA-N 1 2 464.611 1.096 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001508271575 1073039138 /nfs/dbraw/zinc/03/91/38/1073039138.db2.gz DKYLVUMEEAZTPT-UHFFFAOYSA-N 1 2 497.644 1.645 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3C[C@@H](C)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001508271316 1073039255 /nfs/dbraw/zinc/03/92/55/1073039255.db2.gz CEUUAVIHRGBDQT-YYDVJCTNSA-N 1 2 464.611 1.096 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCC=C(Br)C2)CC1 ZINC001508273045 1073041147 /nfs/dbraw/zinc/04/11/47/1073041147.db2.gz JYSCWNSEHCINDR-QGZVFWFLSA-N 1 2 453.385 1.783 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCOC[C@H]2C)CC1 ZINC001508273696 1073042645 /nfs/dbraw/zinc/04/26/45/1073042645.db2.gz MSVYCOKJNVMWSG-QUCCMNQESA-N 1 2 491.637 1.739 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3ccccc3F)nnc2N(C)CCn2cccn2)CC1 ZINC001508273762 1073042666 /nfs/dbraw/zinc/04/26/66/1073042666.db2.gz NPIRJBZNLJUINR-UHFFFAOYSA-N 1 2 470.553 1.493 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001508274570 1073043014 /nfs/dbraw/zinc/04/30/14/1073043014.db2.gz PYFYHLQSORLRHT-UHFFFAOYSA-N 1 2 495.600 1.915 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(N3CCO[C@@H](Cn4cc(C)cn4)C3)nnc2C(C)(C)C)CC1 ZINC001508274531 1073043071 /nfs/dbraw/zinc/04/30/71/1073043071.db2.gz PJCJNMWUWCQBSD-HXUWFJFHSA-N 1 2 458.611 1.150 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001508275179 1073045419 /nfs/dbraw/zinc/04/54/19/1073045419.db2.gz SNRWZQBLYYYEJY-UHFFFAOYSA-N 1 2 499.660 1.406 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CC1 ZINC001508275708 1073046153 /nfs/dbraw/zinc/04/61/53/1073046153.db2.gz KEKALPMCDOKUSH-UHFFFAOYSA-N 1 2 477.972 1.506 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001508275958 1073046928 /nfs/dbraw/zinc/04/69/28/1073046928.db2.gz YGXIEOHTMVGHKP-FQEVSTJZSA-N 1 2 467.618 1.284 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001508276296 1073048026 /nfs/dbraw/zinc/04/80/26/1073048026.db2.gz AHHLVXYEPUNBNP-UHFFFAOYSA-N 1 2 482.633 1.123 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001508276297 1073048151 /nfs/dbraw/zinc/04/81/51/1073048151.db2.gz ZTBXGYLLHGGOKW-FQEVSTJZSA-N 1 2 456.591 1.863 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001508277312 1073050768 /nfs/dbraw/zinc/05/07/68/1073050768.db2.gz GYILOEPZCVAPQS-IBGZPJMESA-N 1 2 474.009 1.388 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001508278297 1073051772 /nfs/dbraw/zinc/05/17/72/1073051772.db2.gz QTNDWKLMVNOALG-DLBZAZTESA-N 1 2 475.569 1.421 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)Cc2ncnn2CC(F)F)CC1 ZINC001508277858 1073051935 /nfs/dbraw/zinc/05/19/35/1073051935.db2.gz HPTDCXCCLYKLHJ-UHFFFAOYSA-N 1 2 493.588 1.588 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001508277877 1073052107 /nfs/dbraw/zinc/05/21/07/1073052107.db2.gz IDMZGXJFSRDHKA-UHFFFAOYSA-N 1 2 476.585 1.163 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001508277924 1073052457 /nfs/dbraw/zinc/05/24/57/1073052457.db2.gz JQJJASPJAYYQIJ-FQEVSTJZSA-N 1 2 450.628 1.661 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001508277925 1073052681 /nfs/dbraw/zinc/05/26/81/1073052681.db2.gz JQJJASPJAYYQIJ-HXUWFJFHSA-N 1 2 450.628 1.661 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N(C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001508278388 1073052722 /nfs/dbraw/zinc/05/27/22/1073052722.db2.gz KDTBVSYPYYNUMJ-UHFFFAOYSA-N 1 2 495.628 1.763 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001508278283 1073053463 /nfs/dbraw/zinc/05/34/63/1073053463.db2.gz HQISKYRTBXFVDA-BMFZPTHFSA-N 1 2 457.501 1.028 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCCOCC2)CC1 ZINC001508278360 1073053808 /nfs/dbraw/zinc/05/38/08/1073053808.db2.gz SBYDHDVOEFVBRG-SFHVURJKSA-N 1 2 460.554 1.948 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccccc3)C2)CC1 ZINC001508278341 1073053830 /nfs/dbraw/zinc/05/38/30/1073053830.db2.gz RHPSIXGQTXJJEK-RXVVDRJESA-N 1 2 489.646 1.046 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001508279007 1073055654 /nfs/dbraw/zinc/05/56/54/1073055654.db2.gz WSAAOVCGMMZBGC-QZTJIDSGSA-N 1 2 460.554 1.946 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001508278981 1073055794 /nfs/dbraw/zinc/05/57/94/1073055794.db2.gz WDCOSRKGEXQZIK-DLBZAZTESA-N 1 2 495.625 1.389 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001508279029 1073056182 /nfs/dbraw/zinc/05/61/82/1073056182.db2.gz WVMBNSKSXSVMSG-TZIWHRDSSA-N 1 2 497.644 1.866 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCc3ccccc32)CC1 ZINC001508279037 1073056272 /nfs/dbraw/zinc/05/62/72/1073056272.db2.gz WWTCCQLWVGPKLB-UTKZUKDTSA-N 1 2 489.646 1.176 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCCN(c3nccs3)CC2)CC1 ZINC001508279079 1073056437 /nfs/dbraw/zinc/05/64/37/1073056437.db2.gz PHUGPSRBKNGJCA-UHFFFAOYSA-N 1 2 460.652 1.814 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC001508279041 1073056465 /nfs/dbraw/zinc/05/64/65/1073056465.db2.gz WWWPSYPFGNYGDD-UHFFFAOYSA-N 1 2 467.618 1.589 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccccc2F)CC1 ZINC001508279468 1073056852 /nfs/dbraw/zinc/05/68/52/1073056852.db2.gz QUCFRMNVIUNYBO-IBGZPJMESA-N 1 2 460.554 1.600 20 0 JDADLO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001508279536 1073057310 /nfs/dbraw/zinc/05/73/10/1073057310.db2.gz ZCLSDBUTPIDOKB-OAQYLSRUSA-N 1 2 497.644 1.868 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001508279611 1073057851 /nfs/dbraw/zinc/05/78/51/1073057851.db2.gz TXLBDCIZJQHXFX-UHFFFAOYSA-N 1 2 494.566 1.502 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001508279642 1073058039 /nfs/dbraw/zinc/05/80/39/1073058039.db2.gz UACOSBCNQQKEIA-WOJBJXKFSA-N 1 2 475.638 1.077 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001508280726 1073059925 /nfs/dbraw/zinc/05/99/25/1073059925.db2.gz XQNCKUCNTRJECI-FQEVSTJZSA-N 1 2 488.036 1.778 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001508280555 1073059935 /nfs/dbraw/zinc/05/99/35/1073059935.db2.gz WDMXEZIBTHHKTC-YWZLYKJASA-N 1 2 475.544 1.869 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001508280551 1073060056 /nfs/dbraw/zinc/06/00/56/1073060056.db2.gz WDMXEZIBTHHKTC-QRWLVFNGSA-N 1 2 475.544 1.869 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001508280821 1073060456 /nfs/dbraw/zinc/06/04/56/1073060456.db2.gz ZJJAKAKAPCCZHI-QGZVFWFLSA-N 1 2 467.412 1.825 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001508280854 1073060711 /nfs/dbraw/zinc/06/07/11/1073060711.db2.gz ZVZHVCXRVVENCB-UHFFFAOYSA-N 1 2 459.639 1.795 20 0 JDADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001508281247 1073061235 /nfs/dbraw/zinc/06/12/35/1073061235.db2.gz XXJWZIAUXCDZKF-APWZRJJASA-N 1 2 461.611 1.669 20 0 JDADLO CC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001508299131 1073068570 /nfs/dbraw/zinc/06/85/70/1073068570.db2.gz XJHBSOCYSHDHDA-UHFFFAOYSA-N 1 2 455.563 1.289 20 0 JDADLO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001508348221 1073108076 /nfs/dbraw/zinc/10/80/76/1073108076.db2.gz YTCJYNRLYLKSDB-NRFANRHFSA-N 1 2 497.644 1.649 20 0 JDADLO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC001508368891 1073138999 /nfs/dbraw/zinc/13/89/99/1073138999.db2.gz DGDVSHVUMZLJLK-OAQYLSRUSA-N 1 2 480.573 1.051 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC001508372023 1073145315 /nfs/dbraw/zinc/14/53/15/1073145315.db2.gz BXQOJRRQAHPHEL-VXKWHMMOSA-N 1 2 456.591 1.644 20 0 JDADLO CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC001508372023 1073145335 /nfs/dbraw/zinc/14/53/35/1073145335.db2.gz BXQOJRRQAHPHEL-VXKWHMMOSA-N 1 2 456.591 1.644 20 0 JDADLO CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508390129 1073200497 /nfs/dbraw/zinc/20/04/97/1073200497.db2.gz QYIOPVPHHCMMFF-QGZVFWFLSA-N 1 2 489.024 1.653 20 0 JDADLO CC(=O)NCCCn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001508409113 1073217500 /nfs/dbraw/zinc/21/75/00/1073217500.db2.gz SNGYNGXLSXTLMW-DEOSSOPVSA-N 1 2 471.606 1.869 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCOCC(F)F)CC1 ZINC001508429865 1073224582 /nfs/dbraw/zinc/22/45/82/1073224582.db2.gz BPHOMKCKGBIVGH-IRXDYDNUSA-N 1 2 456.538 1.197 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)Br)CC1 ZINC001508431276 1073227144 /nfs/dbraw/zinc/22/71/44/1073227144.db2.gz FPQQXYBWVIPZRJ-LSDHHAIUSA-N 1 2 491.381 1.903 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001508432243 1073228860 /nfs/dbraw/zinc/22/88/60/1073228860.db2.gz GUTUZAFULTZKSK-SJORKVTESA-N 1 2 472.619 1.980 20 0 JDADLO CC(C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508432786 1073229569 /nfs/dbraw/zinc/22/95/69/1073229569.db2.gz JXVUBCNKSPCEGU-CYFREDJKSA-N 1 2 455.607 1.880 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCCC(=O)N(C)C)CC1 ZINC001508433293 1073230579 /nfs/dbraw/zinc/23/05/79/1073230579.db2.gz MPJRGHJHBHGGBJ-HXUWFJFHSA-N 1 2 482.633 1.265 20 0 JDADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCC(C)(C)O)CC1 ZINC001508433486 1073230931 /nfs/dbraw/zinc/23/09/31/1073230931.db2.gz NJQRFVWNBKVAMF-IBGZPJMESA-N 1 2 455.607 1.558 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC3CC3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001508433580 1073231510 /nfs/dbraw/zinc/23/15/10/1073231510.db2.gz NUNZHHXLKFVBEH-GOSISDBHSA-N 1 2 459.639 1.668 20 0 JDADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001508434823 1073233982 /nfs/dbraw/zinc/23/39/82/1073233982.db2.gz UQLKHLBAVQGFDE-KRWDZBQOSA-N 1 2 499.620 1.391 20 0 JDADLO CC(C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508436583 1073235707 /nfs/dbraw/zinc/23/57/07/1073235707.db2.gz WGTVZIYEEAOQHA-WZONZLPQSA-N 1 2 458.611 1.219 20 0 JDADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cccnc3)n2CCOCC(F)F)CC1 ZINC001508437496 1073237208 /nfs/dbraw/zinc/23/72/08/1073237208.db2.gz YEUAYFNGCAEUCI-QGZVFWFLSA-N 1 2 463.533 1.755 20 0 JDADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001508437514 1073237315 /nfs/dbraw/zinc/23/73/15/1073237315.db2.gz YKFCZTMXEGPREF-INIZCTEOSA-N 1 2 472.594 1.587 20 0 JDADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508438816 1073239235 /nfs/dbraw/zinc/23/92/35/1073239235.db2.gz CQEWVBQBUMUPAZ-HBFSDRIKSA-N 1 2 492.646 1.710 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001508440381 1073242198 /nfs/dbraw/zinc/24/21/98/1073242198.db2.gz UCLZFLVBZRSFOV-IAGOWNOFSA-N 1 2 473.603 1.811 20 0 JDADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001508443434 1073247634 /nfs/dbraw/zinc/24/76/34/1073247634.db2.gz PQBZVYINZQPZFH-IRXDYDNUSA-N 1 2 462.620 1.768 20 0 JDADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001508445881 1073251278 /nfs/dbraw/zinc/25/12/78/1073251278.db2.gz JLFHXXRCCKMTNG-LMMKCTJWSA-N 1 2 489.646 1.921 20 0 JDADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001508622542 1073289798 /nfs/dbraw/zinc/28/97/98/1073289798.db2.gz IEUSTUHXYWYWTH-IBGZPJMESA-N 1 2 474.631 1.442 20 0 JDADLO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001508651284 1073314323 /nfs/dbraw/zinc/31/43/23/1073314323.db2.gz UPCJVVFBXFKMRB-MSOLQXFVSA-N 1 2 480.635 1.546 20 0 JDADLO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001508651284 1073314333 /nfs/dbraw/zinc/31/43/33/1073314333.db2.gz UPCJVVFBXFKMRB-MSOLQXFVSA-N 1 2 480.635 1.546 20 0 JDADLO CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001508667150 1073323702 /nfs/dbraw/zinc/32/37/02/1073323702.db2.gz IMFKTFNZDDJQHJ-RTBURBONSA-N 1 2 494.637 1.970 20 0 JDADLO CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001508667150 1073323715 /nfs/dbraw/zinc/32/37/15/1073323715.db2.gz IMFKTFNZDDJQHJ-RTBURBONSA-N 1 2 494.637 1.970 20 0 JDADLO CC(C)(C)[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001508697883 1073340686 /nfs/dbraw/zinc/34/06/86/1073340686.db2.gz FOAQLOAHPFPKSP-VCJKXJKGSA-N 1 2 452.625 1.077 20 0 JDADLO CC(C)(C)[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001508699865 1073342304 /nfs/dbraw/zinc/34/23/04/1073342304.db2.gz GQVHGXVEBJMPLN-ZUQCGGBESA-N 1 2 466.652 1.106 20 0 JDADLO CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1)[NH+]1CCOCC1 ZINC001508713370 1073349220 /nfs/dbraw/zinc/34/92/20/1073349220.db2.gz IYINTPLDBGWYIH-LJQANCHMSA-N 1 2 484.667 1.492 20 0 JDADLO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001508768310 1073361973 /nfs/dbraw/zinc/36/19/73/1073361973.db2.gz JYXQEVTYLBLWNY-HXUWFJFHSA-N 1 2 455.607 1.679 20 0 JDADLO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001508789119 1073376370 /nfs/dbraw/zinc/37/63/70/1073376370.db2.gz FWCFJLDLDKZDGV-LJQANCHMSA-N 1 2 455.607 1.726 20 0 JDADLO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001508789119 1073376382 /nfs/dbraw/zinc/37/63/82/1073376382.db2.gz FWCFJLDLDKZDGV-LJQANCHMSA-N 1 2 455.607 1.726 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001508809374 1073389358 /nfs/dbraw/zinc/38/93/58/1073389358.db2.gz BMAFGYPSHJMUSN-GHTZIAJQSA-N 1 2 472.590 1.720 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCCO2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001508810965 1073390665 /nfs/dbraw/zinc/39/06/65/1073390665.db2.gz JHKOYSHQPSSEAO-AUSIDOKSSA-N 1 2 480.679 1.936 20 0 JDADLO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001508814957 1073394048 /nfs/dbraw/zinc/39/40/48/1073394048.db2.gz YLEVLXSOIBYMBU-HXUWFJFHSA-N 1 2 464.574 1.731 20 0 JDADLO CC(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001508991503 1073462646 /nfs/dbraw/zinc/46/26/46/1073462646.db2.gz UJGBOIVVJWZQDS-OAQYLSRUSA-N 1 2 476.647 1.774 20 0 JDADLO CC(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001508991503 1073462670 /nfs/dbraw/zinc/46/26/70/1073462670.db2.gz UJGBOIVVJWZQDS-OAQYLSRUSA-N 1 2 476.647 1.774 20 0 JDADLO CC(C)c1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001508994450 1073467014 /nfs/dbraw/zinc/46/70/14/1073467014.db2.gz SXWOJZDYUDJBMM-IBGZPJMESA-N 1 2 474.581 1.989 20 0 JDADLO CC(C)c1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001508994450 1073467027 /nfs/dbraw/zinc/46/70/27/1073467027.db2.gz SXWOJZDYUDJBMM-IBGZPJMESA-N 1 2 474.581 1.989 20 0 JDADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(C(N)=O)c1 ZINC001509014087 1073477681 /nfs/dbraw/zinc/47/76/81/1073477681.db2.gz OFQJLQOOLDZVOH-QFIPXVFZSA-N 1 2 469.634 1.780 20 0 JDADLO CC(C)CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001509123411 1073509877 /nfs/dbraw/zinc/50/98/77/1073509877.db2.gz QPOXTEWQYLYCKR-IBGZPJMESA-N 1 2 484.667 1.206 20 0 JDADLO CC(C)Cc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001509139246 1073512942 /nfs/dbraw/zinc/51/29/42/1073512942.db2.gz ZFHAXQFFWLFMQD-JOCHJYFZSA-N 1 2 470.618 1.845 20 0 JDADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCN1CCOC1=O ZINC001509210182 1073533082 /nfs/dbraw/zinc/53/30/82/1073533082.db2.gz WTKCDAMWGUHTDR-IBGZPJMESA-N 1 2 461.611 1.452 20 0 JDADLO CC(C)Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001509216219 1073537172 /nfs/dbraw/zinc/53/71/72/1073537172.db2.gz BLSBWXXQMABHNP-HSZRJFAPSA-N 1 2 483.661 1.760 20 0 JDADLO CC(C)Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001509219643 1073539274 /nfs/dbraw/zinc/53/92/74/1073539274.db2.gz UKBIFUDYVXPRTR-ZRBLBEILSA-N 1 2 489.709 1.824 20 0 JDADLO CC(C)Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001509219640 1073539376 /nfs/dbraw/zinc/53/93/76/1073539376.db2.gz UKBIFUDYVXPRTR-XPWALMASSA-N 1 2 489.709 1.824 20 0 JDADLO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001509256414 1073548774 /nfs/dbraw/zinc/54/87/74/1073548774.db2.gz NLHFZORKEJNXQP-QHCPKHFHSA-N 1 2 483.661 1.855 20 0 JDADLO CC(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001509268403 1073556742 /nfs/dbraw/zinc/55/67/42/1073556742.db2.gz GWFHTANZGLXWQE-OALUTQOASA-N 1 2 483.683 1.457 20 0 JDADLO CC(C)CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC001509306470 1073560953 /nfs/dbraw/zinc/56/09/53/1073560953.db2.gz KHBXTAPNOUQHMP-FQEVSTJZSA-N 1 2 498.694 1.737 20 0 JDADLO CC(C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001509354599 1073569146 /nfs/dbraw/zinc/56/91/46/1073569146.db2.gz RHHDKDYUYCECIT-DLBZAZTESA-N 1 2 465.624 1.649 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)C1=O ZINC001509402413 1073576641 /nfs/dbraw/zinc/57/66/41/1073576641.db2.gz IMEXBLHSYOKJFP-SFHVURJKSA-N 1 2 463.627 1.220 20 0 JDADLO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)[C@@H](C)C1=O ZINC001509402413 1073576654 /nfs/dbraw/zinc/57/66/54/1073576654.db2.gz IMEXBLHSYOKJFP-SFHVURJKSA-N 1 2 463.627 1.220 20 0 JDADLO CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2CCCNc2cccc[nH+]2)CC1=O ZINC001509429114 1073604359 /nfs/dbraw/zinc/60/43/59/1073604359.db2.gz BKLKAJORGQPIEE-UHFFFAOYSA-N 1 2 454.579 1.602 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001509429737 1073605628 /nfs/dbraw/zinc/60/56/28/1073605628.db2.gz OQPMTIXHCIYSDK-KRWDZBQOSA-N 1 2 470.640 1.483 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001509431225 1073607613 /nfs/dbraw/zinc/60/76/13/1073607613.db2.gz RGJSKRSLWDGILS-LJQANCHMSA-N 1 2 460.604 1.105 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001509431421 1073608432 /nfs/dbraw/zinc/60/84/32/1073608432.db2.gz IWJXXGOIPYBURU-UHFFFAOYSA-N 1 2 466.652 1.536 20 0 JDADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC2CCOCC2)CC1 ZINC001509434069 1073616045 /nfs/dbraw/zinc/61/60/45/1073616045.db2.gz YSQSDEZYIWWDOI-OAQYLSRUSA-N 1 2 483.679 1.792 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509436163 1073617562 /nfs/dbraw/zinc/61/75/62/1073617562.db2.gz PWQJAVNGAZFCBR-ZWKOTPCHSA-N 1 2 483.038 1.974 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509436163 1073617572 /nfs/dbraw/zinc/61/75/72/1073617572.db2.gz PWQJAVNGAZFCBR-ZWKOTPCHSA-N 1 2 483.038 1.974 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509443348 1073624996 /nfs/dbraw/zinc/62/49/96/1073624996.db2.gz NOIGRGYHIQLTRV-HSALFYBXSA-N 1 2 469.652 1.542 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509443348 1073625004 /nfs/dbraw/zinc/62/50/04/1073625004.db2.gz NOIGRGYHIQLTRV-HSALFYBXSA-N 1 2 469.652 1.542 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001509443347 1073625536 /nfs/dbraw/zinc/62/55/36/1073625536.db2.gz NOIGRGYHIQLTRV-AABGKKOBSA-N 1 2 469.652 1.542 20 0 JDADLO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001509443347 1073625547 /nfs/dbraw/zinc/62/55/47/1073625547.db2.gz NOIGRGYHIQLTRV-AABGKKOBSA-N 1 2 469.652 1.542 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001509443393 1073626628 /nfs/dbraw/zinc/62/66/28/1073626628.db2.gz OBMPCVSBYKDITR-MOPGFXCFSA-N 1 2 467.661 1.911 20 0 JDADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001509443393 1073626637 /nfs/dbraw/zinc/62/66/37/1073626637.db2.gz OBMPCVSBYKDITR-MOPGFXCFSA-N 1 2 467.661 1.911 20 0 JDADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cnccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001509446989 1073631307 /nfs/dbraw/zinc/63/13/07/1073631307.db2.gz XXZRIOYEYJEOBC-GOSISDBHSA-N 1 2 463.608 1.105 20 0 JDADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cnccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001509446989 1073631310 /nfs/dbraw/zinc/63/13/10/1073631310.db2.gz XXZRIOYEYJEOBC-GOSISDBHSA-N 1 2 463.608 1.105 20 0 JDADLO CC(C)CSCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001509497025 1073650640 /nfs/dbraw/zinc/65/06/40/1073650640.db2.gz STYQXGNIEUYSQT-LJQANCHMSA-N 1 2 479.695 1.938 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001509565099 1073686464 /nfs/dbraw/zinc/68/64/64/1073686464.db2.gz AWZDXFJSMWLJIC-RBUKOAKNSA-N 1 2 492.621 1.194 20 0 JDADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001509565096 1073686555 /nfs/dbraw/zinc/68/65/55/1073686555.db2.gz AWZDXFJSMWLJIC-OALUTQOASA-N 1 2 492.621 1.194 20 0 JDADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(-c4cnccn4)n3C[C@](C)(O)C(C)C)CC2)C1 ZINC001509579817 1073700816 /nfs/dbraw/zinc/70/08/16/1073700816.db2.gz LIEQPOJGPRSYGO-YKSBVNFPSA-N 1 2 472.638 1.373 20 0 JDADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(-c4ccccn4)n3CCC(=O)NC(C)(C)C)CC2)C1 ZINC001509579885 1073701123 /nfs/dbraw/zinc/70/11/23/1073701123.db2.gz LMOPHHALBJINAO-NRFANRHFSA-N 1 2 498.676 1.876 20 0 JDADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@]3(C)CN(C)C3=O)CC2)C1 ZINC001509581282 1073703262 /nfs/dbraw/zinc/70/32/62/1073703262.db2.gz SEHBSKQCNNOPPW-NBGIEHNGSA-N 1 2 475.682 1.576 20 0 JDADLO CC(C)N1CC[NH+]([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(=O)N(C)C)C2)CC1 ZINC001509582337 1073706005 /nfs/dbraw/zinc/70/60/05/1073706005.db2.gz QSROUJKNUMUUJP-QGZVFWFLSA-N 1 2 493.454 1.729 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001509600632 1073725008 /nfs/dbraw/zinc/72/50/08/1073725008.db2.gz CVHGXLXLUBXPRA-UHFFFAOYSA-N 1 2 487.996 1.720 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001509606317 1073730393 /nfs/dbraw/zinc/73/03/93/1073730393.db2.gz GTQGNUQAXGDAQT-GOSISDBHSA-N 1 2 479.626 1.584 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CCS(C)(=O)=O)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001509607709 1073731202 /nfs/dbraw/zinc/73/12/02/1073731202.db2.gz SKCHSPWTBQJTEX-UHFFFAOYSA-N 1 2 472.681 1.259 20 0 JDADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001509608498 1073732407 /nfs/dbraw/zinc/73/24/07/1073732407.db2.gz XTKBNHAIBZSDIG-UHFFFAOYSA-N 1 2 463.583 1.536 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001509610378 1073733953 /nfs/dbraw/zinc/73/39/53/1073733953.db2.gz GGCGQKOKDAVNGZ-QGZVFWFLSA-N 1 2 454.579 1.517 20 0 JDADLO CC(C)NC(=O)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001509612635 1073736358 /nfs/dbraw/zinc/73/63/58/1073736358.db2.gz PPQKWNIMFKITNH-UHFFFAOYSA-N 1 2 489.646 1.863 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001509620159 1073743413 /nfs/dbraw/zinc/74/34/13/1073743413.db2.gz KFWPDOYJQWQTTR-HNNXBMFYSA-N 1 2 489.543 1.032 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001509620159 1073743420 /nfs/dbraw/zinc/74/34/20/1073743420.db2.gz KFWPDOYJQWQTTR-HNNXBMFYSA-N 1 2 489.543 1.032 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001509643051 1073753204 /nfs/dbraw/zinc/75/32/04/1073753204.db2.gz GTMNTPISIVLMOT-IBGZPJMESA-N 1 2 489.646 1.863 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001509660718 1073754919 /nfs/dbraw/zinc/75/49/19/1073754919.db2.gz KRVXGAYZTBRMMD-VQTJNVASSA-N 1 2 458.611 1.848 20 0 JDADLO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001509660715 1073754949 /nfs/dbraw/zinc/75/49/49/1073754949.db2.gz KRVXGAYZTBRMMD-UXHICEINSA-N 1 2 458.611 1.848 20 0 JDADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(I)s2)CC1 ZINC001474935875 1069309214 /nfs/dbraw/zinc/30/92/14/1069309214.db2.gz GTIGVVXIACSMLF-UHFFFAOYSA-N 1 2 457.359 1.184 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@@]5(CCOC5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164389989 718807413 /nfs/dbraw/zinc/80/74/13/718807413.db2.gz NASFHWRUHZXEIC-HSZRJFAPSA-N 1 2 458.632 1.892 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5COC[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164388924 718818613 /nfs/dbraw/zinc/81/86/13/718818613.db2.gz RQAJBUCWUADDPL-QZTJIDSGSA-N 1 2 458.632 1.748 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4C[C@@H]5[C@@H](C4)OCC5(F)F)nc(N4CCOCC4)c3s2)CC1 ZINC001164423543 718927203 /nfs/dbraw/zinc/92/72/03/718927203.db2.gz INMPDQOIZJTAKM-SJLPKXTDSA-N 1 2 480.585 1.746 20 0 JDADLO CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164623002 719041160 /nfs/dbraw/zinc/04/11/60/719041160.db2.gz LIZOHEYYHGDJPF-BXKMTCNYSA-N 1 2 486.642 1.807 20 0 JDADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164640171 719274333 /nfs/dbraw/zinc/27/43/33/719274333.db2.gz OLFKMCYYAWRADE-UHFFFAOYSA-N 1 2 472.011 1.788 20 0 JDADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164640171 719274335 /nfs/dbraw/zinc/27/43/35/719274335.db2.gz OLFKMCYYAWRADE-UHFFFAOYSA-N 1 2 472.011 1.788 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)CC2)C1=O ZINC001164639207 719276780 /nfs/dbraw/zinc/27/67/80/719276780.db2.gz KFJOQPAAELTLMK-UHFFFAOYSA-N 1 2 480.617 1.683 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)CC2)C1=O ZINC001164639207 719276784 /nfs/dbraw/zinc/27/67/84/719276784.db2.gz KFJOQPAAELTLMK-UHFFFAOYSA-N 1 2 480.617 1.683 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)CC2)C1=O ZINC001164644469 719280233 /nfs/dbraw/zinc/28/02/33/719280233.db2.gz KSSWZDGZLQWKAE-UHFFFAOYSA-N 1 2 479.629 1.563 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)CC2)C1=O ZINC001164644469 719280238 /nfs/dbraw/zinc/28/02/38/719280238.db2.gz KSSWZDGZLQWKAE-UHFFFAOYSA-N 1 2 479.629 1.563 20 0 JDADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc1 ZINC001164644494 719280983 /nfs/dbraw/zinc/28/09/83/719280983.db2.gz LZZOKVKCOPPCTG-UHFFFAOYSA-N 1 2 467.636 1.308 20 0 JDADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc1 ZINC001164644494 719280985 /nfs/dbraw/zinc/28/09/85/719280985.db2.gz LZZOKVKCOPPCTG-UHFFFAOYSA-N 1 2 467.636 1.308 20 0 JDADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc1 ZINC001164644981 719281207 /nfs/dbraw/zinc/28/12/07/719281207.db2.gz YUQIADMNYZLPFH-GOSISDBHSA-N 1 2 467.636 1.308 20 0 JDADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc1 ZINC001164644981 719281209 /nfs/dbraw/zinc/28/12/09/719281209.db2.gz YUQIADMNYZLPFH-GOSISDBHSA-N 1 2 467.636 1.308 20 0 JDADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc1 ZINC001164644086 719281264 /nfs/dbraw/zinc/28/12/64/719281264.db2.gz CCWUUGXOTIDUFJ-UHFFFAOYSA-N 1 2 467.636 1.308 20 0 JDADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc1 ZINC001164644086 719281265 /nfs/dbraw/zinc/28/12/65/719281265.db2.gz CCWUUGXOTIDUFJ-UHFFFAOYSA-N 1 2 467.636 1.308 20 0 JDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)C1=O ZINC001164644512 719282564 /nfs/dbraw/zinc/28/25/64/719282564.db2.gz MNHUUUGOOYTPPO-UHFFFAOYSA-N 1 2 455.559 1.920 20 0 JDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)C1=O ZINC001164644512 719282566 /nfs/dbraw/zinc/28/25/66/719282566.db2.gz MNHUUUGOOYTPPO-UHFFFAOYSA-N 1 2 455.559 1.920 20 0 JDADLO CCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c1C(=O)OCC ZINC001164644515 719285538 /nfs/dbraw/zinc/28/55/38/719285538.db2.gz MQZRIPDLODEOMW-UHFFFAOYSA-N 1 2 462.547 1.194 20 0 JDADLO CCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c1C(=O)OCC ZINC001164644515 719285542 /nfs/dbraw/zinc/28/55/42/719285542.db2.gz MQZRIPDLODEOMW-UHFFFAOYSA-N 1 2 462.547 1.194 20 0 JDADLO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164651856 719296395 /nfs/dbraw/zinc/29/63/95/719296395.db2.gz MOQCADAWIMBWDK-VQTJNVASSA-N 1 2 470.599 1.205 20 0 JDADLO CNC(=O)CO[C@H]1COC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164677297 719549830 /nfs/dbraw/zinc/54/98/30/719549830.db2.gz CHHAOHGDYOHWFQ-HXUWFJFHSA-N 1 2 451.571 1.925 20 0 JDADLO CNC(=O)CO[C@H]1COC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164677297 719549840 /nfs/dbraw/zinc/54/98/40/719549840.db2.gz CHHAOHGDYOHWFQ-HXUWFJFHSA-N 1 2 451.571 1.925 20 0 JDADLO Cc1cc2c(nc[nH+]c2N2CCn3c(CN4CCOCC4)nnc3C2)n1S(=O)(=O)c1ccccc1 ZINC001164676663 719572356 /nfs/dbraw/zinc/57/23/56/719572356.db2.gz LACPVMDWBLXDTK-UHFFFAOYSA-N 1 2 494.581 1.421 20 0 JDADLO O=C(c1cccnc1N1C[C@H]2OCCN(c3ncccn3)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164690893 719799948 /nfs/dbraw/zinc/79/99/48/719799948.db2.gz BZODUQKGJHLPHN-DNQXCXABSA-N 1 2 485.592 1.924 20 0 JDADLO O=C(c1cccnc1N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164690894 719800058 /nfs/dbraw/zinc/80/00/58/719800058.db2.gz BZODUQKGJHLPHN-RPWUZVMVSA-N 1 2 485.592 1.924 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccsc2c(N2CCOCC2)n1 ZINC001164701646 719844380 /nfs/dbraw/zinc/84/43/80/719844380.db2.gz MVYMUAROYGIQKS-KSFYIVLOSA-N 1 2 461.588 1.761 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccsc2c(N2CCOCC2)n1 ZINC001164701645 719844491 /nfs/dbraw/zinc/84/44/91/719844491.db2.gz MVYMUAROYGIQKS-AOMKIAJQSA-N 1 2 461.588 1.761 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2cc3c([nH]2)CCNC3=O)ccn1 ZINC001164705952 719852670 /nfs/dbraw/zinc/85/26/70/719852670.db2.gz VLYDEMGMMMIKQZ-XDHUDOTRSA-N 1 2 453.543 1.595 20 0 JDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)nc(N2CCOCC2)nc1Cl ZINC001164704130 719858208 /nfs/dbraw/zinc/85/82/08/719858208.db2.gz RQGMUHDYNFWASA-VLIAUNLRSA-N 1 2 474.389 1.853 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)nc(N2CCOCC2)nc1Cl ZINC001164704131 719858324 /nfs/dbraw/zinc/85/83/24/719858324.db2.gz RQGMUHDYNFWASA-XOBRGWDASA-N 1 2 474.389 1.853 20 0 JDADLO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)[nH]1 ZINC001164706425 719860315 /nfs/dbraw/zinc/86/03/15/719860315.db2.gz XOVJHRBCCVDQNO-FKIZINRSSA-N 1 2 451.911 1.631 20 0 JDADLO CCOC(=O)C1CCN(c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nn2)CC1 ZINC001164701154 719861295 /nfs/dbraw/zinc/86/12/95/719861295.db2.gz JVTYFOLCPLKETD-YADARESESA-N 1 2 475.590 1.489 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1S(=O)(=O)N1CCCC1 ZINC001164698423 719861663 /nfs/dbraw/zinc/86/16/63/719861663.db2.gz CFLKYFNDVHEIHA-LAUBAEHRSA-N 1 2 452.577 1.099 20 0 JDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(C(C)C)C2=O ZINC001164707822 719865402 /nfs/dbraw/zinc/86/54/02/719865402.db2.gz VSFHVRRXCNLJAK-SZNDQCEHSA-N 1 2 451.955 1.727 20 0 JDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164708520 719867437 /nfs/dbraw/zinc/86/74/37/719867437.db2.gz ZQTHAMKMRLDTCL-MBSDFSHPSA-N 1 2 459.595 1.305 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164708522 719867446 /nfs/dbraw/zinc/86/74/46/719867446.db2.gz ZQTHAMKMRLDTCL-WZONZLPQSA-N 1 2 459.595 1.305 20 0 JDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC001164699833 719868187 /nfs/dbraw/zinc/86/81/87/719868187.db2.gz BSWBDQCTIKOEJB-PGRDOPGGSA-N 1 2 466.604 1.489 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1 ZINC001164707786 719870141 /nfs/dbraw/zinc/87/01/41/719870141.db2.gz VKQXCJGBDHAXGU-UZUQRXQVSA-N 1 2 459.547 1.145 20 0 JDADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164704441 719870310 /nfs/dbraw/zinc/87/03/10/719870310.db2.gz MAYCCERKIXGZFD-SPEDKVCISA-N 1 2 468.620 1.781 20 0 JDADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164708228 719870375 /nfs/dbraw/zinc/87/03/75/719870375.db2.gz YWLQQRQTSHIWJQ-VGSWGCGISA-N 1 2 468.620 1.781 20 0 JDADLO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164702288 719870458 /nfs/dbraw/zinc/87/04/58/719870458.db2.gz HXIRPGYSNFOPJZ-PGRDOPGGSA-N 1 2 468.620 1.781 20 0 JDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC001164707389 719873375 /nfs/dbraw/zinc/87/33/75/719873375.db2.gz SAEVCYYVRZVLRB-UTKZUKDTSA-N 1 2 452.577 1.099 20 0 JDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC001164707387 719873638 /nfs/dbraw/zinc/87/36/38/719873638.db2.gz SAEVCYYVRZVLRB-DYESRHJHSA-N 1 2 452.577 1.099 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164708373 719902750 /nfs/dbraw/zinc/90/27/50/719902750.db2.gz BIRMYOLKUWESJY-UHFFFAOYSA-N 1 2 452.950 1.876 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164704753 719903297 /nfs/dbraw/zinc/90/32/97/719903297.db2.gz RCKJDYXEPVMRGW-UHFFFAOYSA-N 1 2 456.551 1.507 20 0 JDADLO COc1cccc2c1nc(Cl)nc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709525 719906681 /nfs/dbraw/zinc/90/66/81/719906681.db2.gz XYPWPVALCFZHFV-UHFFFAOYSA-N 1 2 455.950 1.976 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ccccc3nc1N1CCOCC1)CC2 ZINC001164709667 719906726 /nfs/dbraw/zinc/90/67/26/719906726.db2.gz ZNHUYKFOUPDSCF-UHFFFAOYSA-N 1 2 476.585 1.150 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2 ZINC001164709766 719907861 /nfs/dbraw/zinc/90/78/61/719907861.db2.gz ZUOYHMPZDNTJMQ-UHFFFAOYSA-N 1 2 474.569 1.046 20 0 JDADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709316 719913504 /nfs/dbraw/zinc/91/35/04/719913504.db2.gz SPRGTLFBYOHRIF-UHFFFAOYSA-N 1 2 474.009 1.901 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164708399 719914503 /nfs/dbraw/zinc/91/45/03/719914503.db2.gz CKCPCLOUADXMOQ-UHFFFAOYSA-N 1 2 476.919 1.907 20 0 JDADLO CCOC(=O)c1cc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2s1 ZINC001164708882 719916025 /nfs/dbraw/zinc/91/60/25/719916025.db2.gz LVCQEXXPPJBQBG-UHFFFAOYSA-N 1 2 469.571 1.552 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164708791 719916675 /nfs/dbraw/zinc/91/66/75/719916675.db2.gz QNVJWLLKVFCPQE-UHFFFAOYSA-N 1 2 469.590 1.242 20 0 JDADLO COc1cccc(Oc2cncc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)n2)c1 ZINC001164708427 719916914 /nfs/dbraw/zinc/91/69/14/719916914.db2.gz CYGNYFSMDYRKDY-UHFFFAOYSA-N 1 2 463.542 1.961 20 0 JDADLO COC(=O)c1cc2c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)[nH]c(Cl)cc-2n1 ZINC001164708704 719917801 /nfs/dbraw/zinc/91/78/01/719917801.db2.gz IEFLGHDBIMMKRA-UHFFFAOYSA-N 1 2 471.949 1.687 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164708629 719919326 /nfs/dbraw/zinc/91/93/26/719919326.db2.gz NPPLNYNVBAQCTF-UHFFFAOYSA-N 1 2 467.908 1.063 20 0 JDADLO CC1CCN(C(=O)c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2)CC1 ZINC001164708810 719922571 /nfs/dbraw/zinc/92/25/71/719922571.db2.gz RTCSSWVOTJNULG-UHFFFAOYSA-N 1 2 465.602 1.638 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164709043 719924716 /nfs/dbraw/zinc/92/47/16/719924716.db2.gz XAYZLZLXCFIJKQ-UHFFFAOYSA-N 1 2 455.897 1.281 20 0 JDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164708601 719931784 /nfs/dbraw/zinc/93/17/84/719931784.db2.gz MSDHREDRSMVBSC-UHFFFAOYSA-N 1 2 458.570 1.711 20 0 JDADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164717285 720215882 /nfs/dbraw/zinc/21/58/82/720215882.db2.gz HYWPFRZAXMJWIF-LJQANCHMSA-N 1 2 475.924 1.516 20 0 JDADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164717285 720215890 /nfs/dbraw/zinc/21/58/90/720215890.db2.gz HYWPFRZAXMJWIF-LJQANCHMSA-N 1 2 475.924 1.516 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4cc(C(=O)OC)ccc4nc3Cl)C2)C1 ZINC001164720365 720218656 /nfs/dbraw/zinc/21/86/56/720218656.db2.gz ZLGCZOKEASBTDE-QFIPXVFZSA-N 1 2 461.950 1.735 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4cc(C(=O)OC)ccc4nc3Cl)C2)C1 ZINC001164720365 720218666 /nfs/dbraw/zinc/21/86/66/720218666.db2.gz ZLGCZOKEASBTDE-QFIPXVFZSA-N 1 2 461.950 1.735 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C(=O)OC)c(Cl)n3)C2)C1 ZINC001164718844 720229756 /nfs/dbraw/zinc/22/97/56/720229756.db2.gz NERRGSVROWKICO-IBGZPJMESA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C(=O)OC)c(Cl)n3)C2)C1 ZINC001164718844 720229765 /nfs/dbraw/zinc/22/97/65/720229765.db2.gz NERRGSVROWKICO-IBGZPJMESA-N 1 2 460.909 1.731 20 0 JDADLO CC[C@H]1C(=O)Nc2cnc(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164719803 720248344 /nfs/dbraw/zinc/24/83/44/720248344.db2.gz PBKAKSXPJWUATF-NBGIEHNGSA-N 1 2 485.633 1.621 20 0 JDADLO CC[C@H]1C(=O)Nc2cnc(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)nc2N1C1CCCC1 ZINC001164719803 720248362 /nfs/dbraw/zinc/24/83/62/720248362.db2.gz PBKAKSXPJWUATF-NBGIEHNGSA-N 1 2 485.633 1.621 20 0 JDADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719035 720257881 /nfs/dbraw/zinc/25/78/81/720257881.db2.gz KLJLFCYTEWYGGT-LJQANCHMSA-N 1 2 460.362 1.625 20 0 JDADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719035 720257894 /nfs/dbraw/zinc/25/78/94/720257894.db2.gz KLJLFCYTEWYGGT-LJQANCHMSA-N 1 2 460.362 1.625 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)C2)C1 ZINC001164718182 720259727 /nfs/dbraw/zinc/25/97/27/720259727.db2.gz CLODZCBYGIKLQX-QFIPXVFZSA-N 1 2 451.999 1.928 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)C2)C1 ZINC001164718182 720259738 /nfs/dbraw/zinc/25/97/38/720259738.db2.gz CLODZCBYGIKLQX-QFIPXVFZSA-N 1 2 451.999 1.928 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)C2)C1 ZINC001164718181 720260283 /nfs/dbraw/zinc/26/02/83/720260283.db2.gz CLODZCBYGIKLQX-JOCHJYFZSA-N 1 2 451.999 1.928 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)C2)C1 ZINC001164718181 720260299 /nfs/dbraw/zinc/26/02/99/720260299.db2.gz CLODZCBYGIKLQX-JOCHJYFZSA-N 1 2 451.999 1.928 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)C2)C1 ZINC001164719951 720261923 /nfs/dbraw/zinc/26/19/23/720261923.db2.gz QBGXUXTXTXYBBG-RUZDIDTESA-N 1 2 480.617 1.589 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)C2)C1 ZINC001164719951 720261927 /nfs/dbraw/zinc/26/19/27/720261927.db2.gz QBGXUXTXTXYBBG-RUZDIDTESA-N 1 2 480.617 1.589 20 0 JDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3C(=O)OC)C2)C1 ZINC001164720672 720285979 /nfs/dbraw/zinc/28/59/79/720285979.db2.gz CBIGWCYVQDWSTH-IBGZPJMESA-N 1 2 460.909 1.731 20 0 JDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3C(=O)OC)C2)C1 ZINC001164720672 720285988 /nfs/dbraw/zinc/28/59/88/720285988.db2.gz CBIGWCYVQDWSTH-IBGZPJMESA-N 1 2 460.909 1.731 20 0 JDADLO CCOC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1C(=O)OCC ZINC001164720879 720309671 /nfs/dbraw/zinc/30/96/71/720309671.db2.gz BVCNZFOFSUIPDP-QHCPKHFHSA-N 1 2 462.547 1.100 20 0 JDADLO CCOC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1C(=O)OCC ZINC001164720879 720309676 /nfs/dbraw/zinc/30/96/76/720309676.db2.gz BVCNZFOFSUIPDP-QHCPKHFHSA-N 1 2 462.547 1.100 20 0 JDADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl ZINC001164724036 720315232 /nfs/dbraw/zinc/31/52/32/720315232.db2.gz QEJVPOSWMIPIMS-HNNXBMFYSA-N 1 2 476.937 1.945 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc(N5CCOCC5)n4)CC3)C2=O)cs1 ZINC001164826839 720363566 /nfs/dbraw/zinc/36/35/66/720363566.db2.gz ZQLMFPFRSHOZKE-UHFFFAOYSA-N 1 2 493.037 1.440 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc(N5CCOCC5)n4)CC3)C2=O)cs1 ZINC001164826839 720363570 /nfs/dbraw/zinc/36/35/70/720363570.db2.gz ZQLMFPFRSHOZKE-UHFFFAOYSA-N 1 2 493.037 1.440 20 0 JDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(S(=O)(=O)NC(C)C)cn4)CC3)C2=O)cs1 ZINC001164819972 720379565 /nfs/dbraw/zinc/37/95/65/720379565.db2.gz KCGGINBCNBKURH-UHFFFAOYSA-N 1 2 492.671 1.846 20 0 JDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(S(=O)(=O)NC(C)C)cn4)CC3)C2=O)cs1 ZINC001164819972 720379570 /nfs/dbraw/zinc/37/95/70/720379570.db2.gz KCGGINBCNBKURH-UHFFFAOYSA-N 1 2 492.671 1.846 20 0 JDADLO CCOC(=O)/C=C/c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164823031 720431962 /nfs/dbraw/zinc/43/19/62/720431962.db2.gz GXPCTIPAPAPBES-YJJPMGAVSA-N 1 2 455.559 1.844 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(CN3CCOCC3)cn1)C2 ZINC001164827162 720432949 /nfs/dbraw/zinc/43/29/49/720432949.db2.gz RPQDAJFTKVOEIW-OAQYLSRUSA-N 1 2 456.591 1.100 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(CN3CCOCC3)cn1)C2 ZINC001164827157 720433069 /nfs/dbraw/zinc/43/30/69/720433069.db2.gz RPQDAJFTKVOEIW-NRFANRHFSA-N 1 2 456.591 1.100 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)c(F)cc1C(N)=O)C2 ZINC001164825619 720441065 /nfs/dbraw/zinc/44/10/65/720441065.db2.gz SRVQXGAMMYVJRF-CYBMUJFWSA-N 1 2 452.918 1.159 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC001164822709 720450292 /nfs/dbraw/zinc/45/02/92/720450292.db2.gz HAHMEIBIIJREJH-FQEVSTJZSA-N 1 2 493.612 1.653 20 0 JDADLO CCOC(=O)c1cnc(C2CC2)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164825826 720451196 /nfs/dbraw/zinc/45/11/96/720451196.db2.gz UZQLVPGFIRBEQS-SFHVURJKSA-N 1 2 470.574 1.717 20 0 JDADLO COC(=O)c1nc(Cl)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164821932 720455030 /nfs/dbraw/zinc/45/50/30/720455030.db2.gz AVDQRXAKOPNUGT-AWEZNQCLSA-N 1 2 450.927 1.103 20 0 JDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)c(F)c3c1C(=O)NC3)C2 ZINC001164831168 720457554 /nfs/dbraw/zinc/45/75/54/720457554.db2.gz NBPGKEZAYVKWBN-ZDUSSCGKSA-N 1 2 464.929 1.304 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)nc(Cl)nc1C(N)=O)C2 ZINC001164828883 720457910 /nfs/dbraw/zinc/45/79/10/720457910.db2.gz BSENZSBPFKDXHI-GFCCVEGCSA-N 1 2 470.361 1.068 20 0 JDADLO COc1nc(-c2ccccc2)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830196 720459279 /nfs/dbraw/zinc/45/92/79/720459279.db2.gz JHINRSSTJOGZMC-IBGZPJMESA-N 1 2 465.558 1.733 20 0 JDADLO COc1cc2c(cc1F)ncnc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831136 720462994 /nfs/dbraw/zinc/46/29/94/720462994.db2.gz MUOYUPKNBCEUMA-MRXNPFEDSA-N 1 2 456.522 1.964 20 0 JDADLO CON(C)C(=O)c1cc(C)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831257 720464894 /nfs/dbraw/zinc/46/48/94/720464894.db2.gz OAXHQOAFTPOOOS-GOSISDBHSA-N 1 2 458.563 1.210 20 0 JDADLO COC(OC)c1c(CO)ccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831198 720465206 /nfs/dbraw/zinc/46/52/06/720465206.db2.gz NKBJPEOCLCAECT-SFHVURJKSA-N 1 2 461.563 1.051 20 0 JDADLO COC(=O)c1c(Cl)cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1OC ZINC001164833079 720466210 /nfs/dbraw/zinc/46/62/10/720466210.db2.gz YGNMDZIWDOYIAD-HNNXBMFYSA-N 1 2 479.965 1.716 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164832841 720478626 /nfs/dbraw/zinc/47/86/26/720478626.db2.gz LMCVRRAYFQAGGC-CYBMUJFWSA-N 1 2 479.372 1.913 20 0 JDADLO COCCOC(=O)c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164832734 720479513 /nfs/dbraw/zinc/47/95/13/720479513.db2.gz KQEFALHUIIYPSY-LJQANCHMSA-N 1 2 459.547 1.071 20 0 JDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CN(C)CC3)C2 ZINC001164833462 720480540 /nfs/dbraw/zinc/48/05/40/720480540.db2.gz OMMJNXHYCIXGQR-MRXNPFEDSA-N 1 2 461.998 1.304 20 0 JDADLO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164832863 720482179 /nfs/dbraw/zinc/48/21/79/720482179.db2.gz LTAZXWGYFYJWSM-HOTGVXAUSA-N 1 2 478.981 1.593 20 0 JDADLO O=C(c1cccnc1N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164764589 721262870 /nfs/dbraw/zinc/26/28/70/721262870.db2.gz HMFIXDWOJVLIIG-RPWUZVMVSA-N 1 2 485.592 1.924 20 0 JDADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)CNC3)[C@@H]2CCCO[C@H]12 ZINC001164802339 721573873 /nfs/dbraw/zinc/57/38/73/721573873.db2.gz ICHQCMUPNSGFOL-VSKRKVRLSA-N 1 2 451.575 1.180 20 0 JDADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)CNC3)[C@@H]2CCCO[C@H]12 ZINC001164802339 721573876 /nfs/dbraw/zinc/57/38/76/721573876.db2.gz ICHQCMUPNSGFOL-VSKRKVRLSA-N 1 2 451.575 1.180 20 0 JDADLO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008344 721707267 /nfs/dbraw/zinc/70/72/67/721707267.db2.gz FJFDFTASGRPMLQ-UHFFFAOYSA-N 1 2 461.958 1.885 20 0 JDADLO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008344 721707274 /nfs/dbraw/zinc/70/72/74/721707274.db2.gz FJFDFTASGRPMLQ-UHFFFAOYSA-N 1 2 461.958 1.885 20 0 JDADLO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010008 721709375 /nfs/dbraw/zinc/70/93/75/721709375.db2.gz XQBKMSVLXNVDJS-UHFFFAOYSA-N 1 2 458.567 1.332 20 0 JDADLO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010008 721709386 /nfs/dbraw/zinc/70/93/86/721709386.db2.gz XQBKMSVLXNVDJS-UHFFFAOYSA-N 1 2 458.567 1.332 20 0 JDADLO Cn1cc(C(=O)N[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165014516 721755411 /nfs/dbraw/zinc/75/54/11/721755411.db2.gz ZPLVBDARXQNCCJ-SMIHKQSGSA-N 1 2 473.581 1.935 20 0 JDADLO Cn1cc(C(=O)N[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165014516 721755421 /nfs/dbraw/zinc/75/54/21/721755421.db2.gz ZPLVBDARXQNCCJ-SMIHKQSGSA-N 1 2 473.581 1.935 20 0 JDADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001165015632 721765417 /nfs/dbraw/zinc/76/54/17/721765417.db2.gz SZJLOJPUANZIMP-UHFFFAOYSA-N 1 2 493.902 1.989 20 0 JDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001165015986 721765599 /nfs/dbraw/zinc/76/55/99/721765599.db2.gz UTDJCENTIJYTDS-UHFFFAOYSA-N 1 2 478.891 1.302 20 0 JDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001165014767 721766128 /nfs/dbraw/zinc/76/61/28/721766128.db2.gz IPDCFFWZICAKPY-UHFFFAOYSA-N 1 2 451.865 1.441 20 0 JDADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)c1 ZINC001165014784 721766313 /nfs/dbraw/zinc/76/63/13/721766313.db2.gz IZDHKUUDWGDVGB-UHFFFAOYSA-N 1 2 493.902 1.989 20 0 JDADLO COC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C(=O)OC ZINC001164912621 721771505 /nfs/dbraw/zinc/77/15/05/721771505.db2.gz NGCMEZDUVGCBFL-HSZRJFAPSA-N 1 2 456.499 1.158 20 0 JDADLO COC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C(=O)OC ZINC001164912621 721771512 /nfs/dbraw/zinc/77/15/12/721771512.db2.gz NGCMEZDUVGCBFL-HSZRJFAPSA-N 1 2 456.499 1.158 20 0 JDADLO c1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(N3CCOCC3)nc2c1 ZINC001164917617 721781997 /nfs/dbraw/zinc/78/19/97/721781997.db2.gz YJQQZQAVCDUJMH-AREMUKBSSA-N 1 2 476.581 1.969 20 0 JDADLO c1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(N3CCOCC3)nc2c1 ZINC001164917617 721782000 /nfs/dbraw/zinc/78/20/00/721782000.db2.gz YJQQZQAVCDUJMH-AREMUKBSSA-N 1 2 476.581 1.969 20 0 JDADLO CC(C)NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913469 721794099 /nfs/dbraw/zinc/79/40/99/721794099.db2.gz DIPWVAOMKHTLDB-QFIPXVFZSA-N 1 2 461.588 1.271 20 0 JDADLO CC(C)NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913469 721794104 /nfs/dbraw/zinc/79/41/04/721794104.db2.gz DIPWVAOMKHTLDB-QFIPXVFZSA-N 1 2 461.588 1.271 20 0 JDADLO O=S(=O)(NC1CC1)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913873 721794724 /nfs/dbraw/zinc/79/47/24/721794724.db2.gz HRWBDEKWRVSBEF-QFIPXVFZSA-N 1 2 459.572 1.025 20 0 JDADLO O=S(=O)(NC1CC1)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913873 721794726 /nfs/dbraw/zinc/79/47/26/721794726.db2.gz HRWBDEKWRVSBEF-QFIPXVFZSA-N 1 2 459.572 1.025 20 0 JDADLO O=C(c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1)N1CCOCC1 ZINC001164915665 721795133 /nfs/dbraw/zinc/79/51/33/721795133.db2.gz XKBFYVYAEPCJQW-XMMPIXPASA-N 1 2 487.988 1.710 20 0 JDADLO O=C(c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1)N1CCOCC1 ZINC001164915665 721795136 /nfs/dbraw/zinc/79/51/36/721795136.db2.gz XKBFYVYAEPCJQW-XMMPIXPASA-N 1 2 487.988 1.710 20 0 JDADLO CCCNC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913204 721801428 /nfs/dbraw/zinc/80/14/28/721801428.db2.gz BCNFEMHCKRGJJX-JOCHJYFZSA-N 1 2 460.966 1.773 20 0 JDADLO CCCNC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913204 721801430 /nfs/dbraw/zinc/80/14/30/721801430.db2.gz BCNFEMHCKRGJJX-JOCHJYFZSA-N 1 2 460.966 1.773 20 0 JDADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCSCC5)[nH+]cn4)CCO3)C2)cs1 ZINC001164927269 721833224 /nfs/dbraw/zinc/83/32/24/721833224.db2.gz TWGGPJAPQRXZJA-NRFANRHFSA-N 1 2 462.645 1.903 20 0 JDADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCSCC5)nc[nH+]4)CCO3)C2)cs1 ZINC001164927269 721833225 /nfs/dbraw/zinc/83/32/25/721833225.db2.gz TWGGPJAPQRXZJA-NRFANRHFSA-N 1 2 462.645 1.903 20 0 JDADLO OC[C@H]1CCN(c2nc3cc(C[NH+]4CCN([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C1 ZINC001165032878 721878441 /nfs/dbraw/zinc/87/84/41/721878441.db2.gz GVTWCHDNDREOQB-OALUTQOASA-N 1 2 488.658 1.253 20 0 JDADLO OC[C@H]1CCN(c2nc3cc(CN4CC[NH+]([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C1 ZINC001165032878 721878443 /nfs/dbraw/zinc/87/84/43/721878443.db2.gz GVTWCHDNDREOQB-OALUTQOASA-N 1 2 488.658 1.253 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5[C@@H]4CCC(=O)N5C)nc(N4CCOCC4)c3s2)CC1 ZINC001164933961 721892988 /nfs/dbraw/zinc/89/29/88/721892988.db2.gz NQXGGMHLADKYHV-UXHICEINSA-N 1 2 485.658 1.475 20 0 JDADLO Cn1ccc(CN2CCOCC23CCN(c2cc(-c4cc5c([nH]4)CCNC5=O)cc[nH+]2)CC3)n1 ZINC001164933472 721904801 /nfs/dbraw/zinc/90/48/01/721904801.db2.gz MKTJGWXIQURBRJ-UHFFFAOYSA-N 1 2 461.570 1.968 20 0 JDADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164945080 721971614 /nfs/dbraw/zinc/97/16/14/721971614.db2.gz ONEHTUPYABNTNZ-UHFFFAOYSA-N 1 2 457.966 1.333 20 0 JDADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164945080 721971617 /nfs/dbraw/zinc/97/16/17/721971617.db2.gz ONEHTUPYABNTNZ-UHFFFAOYSA-N 1 2 457.966 1.333 20 0 JDADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164945061 721976276 /nfs/dbraw/zinc/97/62/76/721976276.db2.gz BJWKONFXYJVGGJ-UHFFFAOYSA-N 1 2 469.611 1.837 20 0 JDADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164945061 721976278 /nfs/dbraw/zinc/97/62/78/721976278.db2.gz BJWKONFXYJVGGJ-UHFFFAOYSA-N 1 2 469.611 1.837 20 0 JDADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)CC2 ZINC001164945081 721978214 /nfs/dbraw/zinc/97/82/14/721978214.db2.gz BWCSZESYBRLMJE-UHFFFAOYSA-N 1 2 485.610 1.074 20 0 JDADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)CC2 ZINC001164945081 721978217 /nfs/dbraw/zinc/97/82/17/721978217.db2.gz BWCSZESYBRLMJE-UHFFFAOYSA-N 1 2 485.610 1.074 20 0 JDADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164947622 721980198 /nfs/dbraw/zinc/98/01/98/721980198.db2.gz IDIHXVWUCGUVLL-UHFFFAOYSA-N 1 2 469.611 1.837 20 0 JDADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164947622 721980199 /nfs/dbraw/zinc/98/01/99/721980199.db2.gz IDIHXVWUCGUVLL-UHFFFAOYSA-N 1 2 469.611 1.837 20 0 JDADLO CN1CC[NH+](Cc2cc3nc(N4CCC5(C4)OCCO5)nc(N4CCOCC4)c3s2)CC1 ZINC001165046883 721985352 /nfs/dbraw/zinc/98/53/52/721985352.db2.gz FOBBSPLWERHROW-UHFFFAOYSA-N 1 2 460.604 1.229 20 0 JDADLO Cn1ccnc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2CCCO[C@H]12 ZINC001164983582 722092444 /nfs/dbraw/zinc/09/24/44/722092444.db2.gz UAVYUDCGQMPBKQ-XPWALMASSA-N 1 2 473.581 1.935 20 0 JDADLO Cn1ccnc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2CCCO[C@H]12 ZINC001164983582 722092446 /nfs/dbraw/zinc/09/24/46/722092446.db2.gz UAVYUDCGQMPBKQ-XPWALMASSA-N 1 2 473.581 1.935 20 0 JDADLO Cn1ccnc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2CCCO[C@H]12 ZINC001164983578 722092478 /nfs/dbraw/zinc/09/24/78/722092478.db2.gz UAVYUDCGQMPBKQ-DNVJHFABSA-N 1 2 473.581 1.935 20 0 JDADLO Cn1ccnc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2CCCO[C@H]12 ZINC001164983578 722092480 /nfs/dbraw/zinc/09/24/80/722092480.db2.gz UAVYUDCGQMPBKQ-DNVJHFABSA-N 1 2 473.581 1.935 20 0 JDADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@H]5C(N)=O)nc[nH+]4)CC[C@H]32)cs1 ZINC001164993479 722185969 /nfs/dbraw/zinc/18/59/69/722185969.db2.gz ZZSQJRNEFFIBEO-CEXWTWQISA-N 1 2 457.604 1.565 20 0 JDADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@H]5C(N)=O)[nH+]cn4)CC[C@H]32)cs1 ZINC001164993479 722185970 /nfs/dbraw/zinc/18/59/70/722185970.db2.gz ZZSQJRNEFFIBEO-CEXWTWQISA-N 1 2 457.604 1.565 20 0 JDADLO